#DEFINITION	Reference Metabolome for Carica papaya
#IDENTTFIER	RefMeta-Carica papaya.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Carica papaya
#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 Carica papaya was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24071	100.0
93.54438	19.2
149.43770	21.8
156.24466	19.9
253.87418	23.3
339.04324	25.3
344.19070	23.6
487.76270	23.4
511.82318	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	19.6
71.72569	1.0
71.72943	1.5
73.02947	6.4
80.05074	1.3
83.01414	2.9
85.02946	7.9
86.00127	1.3
87.00880	6.8
89.02462	7.4
90.37801	1.0
94.06634	8.8
95.01399	1.3
98.27663	1.0
99.00916	2.1
101.02448	10.9
104.05096	2.0
105.39890	1.1
106.06632	5.1
113.02472	8.3
115.00378	2.6
115.35407	1.0
119.03531	2.4
120.08212	2.3
122.06135	9.5
124.07671	7.3
131.03549	3.2
134.06149	1.9
139.05496	1.1
148.07742	1.9
150.05637	1.8
151.22536	1.0
152.07188	1.2
152.92963	1.0
161.04625	5.4
168.06679	11.3
175.02489	3.3
179.05661	1.0
180.06668	2.0
221.06721	4.5
238.07405	1.4
239.11865	1.3
241.13522	1.1
252.09064	2.0
253.09831	6.5
254.10497	5.5
255.11301	4.3
263.08087	1.2
265.09772	6.6
266.10556	3.7
267.11386	13.9
268.11981	3.5
269.12939	5.8
279.07410	1.1
283.10852	2.0
285.12463	2.5
291.11392	2.6
293.09262	1.6
295.10828	1.8
297.12521	2.1
298.09796	6.0
300.11227	6.7
301.11694	1.7
311.10574	1.2
317.12808	1.3
323.10321	2.1
333.15729	1.2
338.61069	1.1
342.12283	1.9
344.14075	7.6
346.15604	3.9
355.13504	1.3
356.14142	2.8
357.14612	2.1
358.15543	6.9
359.16431	7.4
360.17194	8.4
361.17902	8.5
362.18567	1.5
371.16519	3.5
372.17285	1.8
373.17859	5.9
376.16574	2.0
388.16281	2.2
389.17502	16.7
390.18201	13.7
391.18948	8.2
392.19720	3.9
394.53537	1.2
396.44455	1.1
400.16757	1.1
405.17096	2.5
417.16910	3.6
418.17438	1.0
433.16409	4.8
434.17169	4.0
435.17868	5.4
436.18582	2.2
461.15253	1.2
479.16998	2.8
481.22281	1.3
511.23483	3.1
513.25061	1.5
537.24890	1.6
539.22284	1.6
581.23737	1.5
583.22162	3.1
601.23419	2.5
613.26855	1.4
625.23376	1.9
653.21997	2.1
657.25641	2.1
759.27759	2.3
803.27661	11.6
804.27686	2.4
845.29645	3.7
881.34552	4.3
882.35083	1.6
899.36487	5.1
923.35675	5.1
924.37970	1.4
925.33844	100.0
926.34058	26.3
967.34918	36.6
968.35455	11.5
999.37097	21.1
1000.37061	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	995.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	0.2
71.20351	0.4
78.95911	13.5
93.07909	0.2
96.96970	0.9
101.79676	0.2
122.00112	0.3
132.43253	0.2
133.72427	0.2
139.34718	0.2
140.01207	2.2
152.99609	2.6
160.33867	0.2
171.00652	1.7
196.03784	1.1
201.36844	0.1
214.04898	2.5
261.22324	0.5
279.23285	100.0
280.23642	10.1
402.24301	0.4
426.92950	0.2
476.27826	66.1
477.28171	8.7
477.33514	0.1
816.97064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80462	1.5
69.80870	0.4
71.01386	19.2
72.99302	0.4
73.02951	0.8
83.01414	0.5
85.02958	2.6
87.00888	1.5
89.02447	3.4
89.03974	0.3
89.73858	0.3
93.03465	0.6
94.06635	3.0
95.01428	0.5
98.20592	0.7
99.00914	0.4
101.02460	3.9
104.05091	0.3
106.06654	0.7
108.04601	0.8
108.39306	0.3
110.99232	0.3
113.02468	3.1
115.00388	9.0
116.00758	0.4
117.03478	1.1
119.05043	61.7
120.05379	2.8
122.06150	0.4
124.07696	3.6
131.03517	1.7
132.04572	6.3
133.01454	10.9
134.03755	14.9
135.04213	0.5
137.02490	0.3
143.03551	0.5
148.04099	0.5
149.06097	1.4
150.05637	1.2
158.02470	0.7
159.03041	0.4
160.04097	0.8
161.04591	2.1
163.04028	100.0
164.04395	4.4
168.06674	7.9
176.03586	1.8
178.02757	1.5
179.05620	1.0
180.06677	1.0
182.08229	0.6
188.03519	1.0
189.04320	1.1
190.05110	3.0
193.05072	26.0
194.05458	1.0
209.10789	0.4
210.09363	0.4
213.10512	0.3
221.06660	2.6
237.10318	7.6
238.10730	0.5
239.11897	1.0
251.11951	0.5
253.09789	0.7
254.08224	0.9
255.11285	0.5
265.09891	0.7
267.11346	5.8
269.12894	3.2
279.05069	6.9
279.07773	0.5
280.05328	0.4
281.09329	2.5
283.10788	1.1
285.12366	1.4
289.11902	1.8
293.08859	0.4
295.10797	2.9
296.11023	0.4
297.12396	0.6
302.77420	0.3
307.63373	0.4
309.06088	1.8
311.10376	12.9
312.10669	1.1
313.11905	9.2
314.12238	1.0
315.86996	0.3
325.11856	1.9
327.13623	0.7
331.12943	0.9
339.09872	6.7
340.10257	0.8
353.11304	1.0
355.09283	1.4
355.13184	0.9
357.10876	4.6
369.10950	1.0
371.12595	0.9
389.13632	0.3
399.12009	0.6
517.17987	1.6
518.18341	0.4
561.17419	1.3
593.19739	0.6
613.22620	2.4
637.22668	4.5
638.22607	0.7
663.20886	0.4
681.21680	57.0
682.10333	0.4
682.22015	10.1
695.23175	12.9
696.23486	2.0
713.24243	46.6
714.24609	8.8
714.35706	0.3
746.81116	0.3
949.38824	0.4
1024.78137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40110	3.0
78.95910	91.8
84.37656	0.3
96.96357	0.3
96.96976	6.3
98.19913	0.6
140.01222	1.4
150.98093	0.3
152.99608	20.0
154.00073	0.3
171.00655	21.2
196.03810	1.6
214.04819	0.7
279.23291	15.9
280.23602	1.9
302.75623	0.3
384.23181	0.3
396.00320	0.3
402.24124	2.6
474.19958	0.3
476.27814	100.0
477.28146	12.7
595.25775	0.3
741.11041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00983	0.6
71.01386	10.6
71.07317	0.7
71.07693	0.7
72.99306	0.5
73.02956	3.0
80.05048	2.0
83.01385	1.0
85.02955	5.0
86.00094	0.9
87.00894	3.7
87.32292	0.3
89.02460	3.6
92.05076	0.5
94.06632	18.1
95.01391	1.1
96.44686	0.4
99.00878	1.3
101.02454	6.4
104.05056	0.6
105.05849	0.4
106.06642	18.7
107.03779	1.9
107.06976	0.7
108.04549	0.8
108.08197	0.6
113.02470	5.6
115.00380	0.7
119.03495	1.6
120.08209	7.9
121.05323	1.0
122.06136	18.1
123.06461	0.8
124.07697	12.8
125.07973	0.4
131.03525	3.0
132.04581	2.0
133.01442	0.9
134.06133	2.5
135.04526	0.7
136.07677	1.2
138.05630	1.3
139.61835	0.4
143.03438	0.6
144.08205	0.6
148.04051	0.9
148.07623	0.4
150.05658	1.7
152.07133	0.8
158.02472	1.0
158.06120	1.3
159.02963	0.9
160.04025	1.2
161.04590	3.8
162.05627	0.7
164.07176	0.6
168.06671	17.4
169.07001	0.8
172.07782	0.6
174.05568	1.3
174.09232	0.9
178.08778	0.3
179.05766	0.6
180.06700	2.1
182.08253	1.2
190.05136	4.0
192.06685	0.6
197.10919	0.6
200.07263	0.5
207.09271	0.4
209.10887	0.6
210.07803	0.6
211.08783	0.4
211.12373	0.4
213.10306	0.8
215.11957	0.5
220.09889	0.4
221.06683	3.3
221.10831	4.3
223.08801	3.4
223.12413	0.7
224.09447	1.4
225.10164	1.8
226.11072	0.4
227.11891	1.0
234.07971	0.7
235.08734	1.6
235.12369	0.9
236.09479	1.6
237.10315	5.1
237.13919	0.7
238.11011	1.4
239.11832	4.9
240.09207	0.4
240.12370	0.4
241.13434	2.6
242.13560	0.4
243.15079	0.4
247.08731	0.6
247.12407	0.4
248.09604	0.8
249.06596	2.4
249.10316	5.6
250.07352	1.3
250.10820	1.2
251.08212	4.2
251.11868	4.8
252.08842	0.6
252.12469	1.3
253.09749	0.8
253.13478	0.9
261.10324	1.8
262.07492	2.3
262.11023	0.5
263.08188	8.3
263.11829	3.8
264.08981	8.1
264.12564	1.6
265.09747	8.3
265.13370	1.9
266.10510	0.9
266.13608	0.5
267.11386	2.6
268.08545	0.6
269.12912	2.7
271.10812	1.1
273.10043	0.6
275.08231	2.0
275.11774	1.1
276.09030	3.9
277.09818	15.7
277.13223	1.1
278.10522	5.3
278.13870	0.8
279.11389	15.8
280.12088	4.6
281.09753	0.5
281.12708	1.9
283.10822	1.0
285.12546	1.8
287.14108	0.4
289.09976	2.0
290.10605	3.0
291.11374	11.7
292.12097	6.8
292.15228	0.2
293.09491	0.8
293.12845	2.5
294.09744	0.5
294.13330	0.5
295.11041	2.2
295.14120	0.6
295.86859	0.4
296.11465	0.6
297.12393	1.9
303.11157	1.7
304.12054	1.3
305.09277	3.9
305.12903	3.3
306.10080	1.0
306.13678	4.1
307.10938	0.9
307.14261	0.5
309.12381	0.3
311.14069	0.5
312.10931	0.6
314.13034	1.0
317.09271	0.8
318.10184	0.8
318.16205	0.8
319.10889	0.6
323.10431	3.5
324.11188	3.9
325.11929	1.7
326.12845	1.3
327.13602	1.1
328.14542	1.4
329.15106	0.4
330.16080	0.9
335.10269	0.5
336.10895	2.2
337.11716	1.1
339.09930	0.6
340.14603	0.6
341.11508	0.6
341.15381	0.7
342.12524	0.6
342.16168	6.3
343.16611	1.3
344.14001	0.6
344.17685	2.1
349.11847	1.6
350.12683	1.1
351.13641	0.4
353.11398	0.9
354.12280	0.5
355.13089	0.6
356.13818	1.0
356.17679	1.8
357.18484	0.5
358.15506	1.3
358.19568	0.6
359.16235	1.4
360.17194	2.1
368.13983	2.4
369.14700	1.3
370.11414	0.6
370.15567	6.8
370.19479	0.6
371.12402	1.1
371.16150	1.0
371.20038	0.8
372.13083	0.6
372.17224	1.3
373.18063	0.5
374.18655	3.6
376.20444	1.0
382.15631	1.7
383.16190	1.6
384.17285	5.7
385.17770	1.4
386.14725	3.5
386.18948	1.0
387.19446	0.5
388.16437	2.2
389.17053	0.7
396.17145	1.8
397.17896	2.2
398.14908	0.5
398.18854	5.0
399.19574	6.0
400.16006	1.7
400.21008	0.6
401.17465	0.7
402.18286	2.6
403.18909	0.7
410.15121	1.2
412.16522	1.3
414.18399	2.6
415.18994	1.2
416.19888	4.2
417.20651	2.4
418.17288	1.1
419.18311	0.5
420.18887	1.7
424.16571	1.5
425.17441	9.6
426.18057	2.4
428.15305	1.9
429.16547	0.8
430.17618	1.0
431.18500	2.1
442.17783	7.1
443.18488	43.5
444.19016	8.1
446.17075	1.5
447.17935	0.5
449.19482	0.6
454.17538	0.7
455.24765	0.6
458.17197	1.0
460.18839	3.4
461.19516	22.3
462.20221	8.7
463.20752	0.8
464.18011	0.7
472.18744	0.7
474.20227	1.0
479.24374	0.6
486.16940	1.0
487.17474	2.6
488.18036	0.9
492.21204	0.7
493.21939	0.4
497.25479	0.7
505.22388	1.0
518.19324	1.2
521.25586	1.2
523.23242	0.9
537.21075	0.6
539.26471	1.2
547.23419	3.5
548.23584	1.0
565.24603	8.0
566.24976	1.4
569.23999	1.0
583.25635	7.9
584.26062	1.3
609.23706	17.2
610.24103	2.9
615.28632	2.7
616.27966	0.4
627.24878	0.7
641.26282	5.5
642.26508	0.9
784.29578	0.7
800.59955	0.4
828.28278	2.9
829.29187	4.3
830.29248	1.1
831.30975	0.5
860.31128	4.3
861.32037	1.8
863.33289	0.8
907.36096	0.7
939.39313	0.7
951.35535	100.0
952.35791	24.2
983.38123	67.3
983.80420	0.5
984.38470	18.0
998.93683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	5.8
71.43656	0.5
72.99311	0.4
73.02952	1.5
75.44482	0.2
80.05059	2.0
82.61026	0.3
83.01398	0.7
85.02964	2.8
86.00101	0.5
87.00893	2.4
89.02465	2.0
92.05075	0.6
94.06638	8.5
95.01391	0.8
95.06969	0.4
99.00907	0.7
100.76611	0.3
101.02465	4.3
104.05076	0.8
106.06644	13.8
107.06938	0.3
108.04557	0.5
113.02459	3.0
119.03536	0.4
120.04544	0.4
120.08195	0.5
121.05383	0.6
122.06144	4.9
122.06960	0.2
123.06509	0.3
124.07705	5.8
129.02040	0.3
130.06621	0.4
131.03513	1.7
132.04570	4.2
134.06142	6.7
135.06461	0.5
136.07678	0.3
138.05621	0.7
144.04633	0.3
146.06105	0.3
148.04112	0.9
148.07695	0.6
150.05614	0.7
152.27351	0.3
158.02522	0.8
158.06094	1.6
159.03056	0.4
159.05614	0.3
160.04083	1.2
160.06421	1.6
161.04637	2.0
167.45415	0.3
168.06673	7.6
169.07071	0.4
174.05595	1.1
179.05708	0.3
180.06667	0.3
182.08290	0.4
186.05605	0.5
190.05112	2.4
197.07150	0.5
197.10831	0.4
198.07961	0.3
198.13000	0.4
207.09236	0.3
207.24335	0.3
209.10960	0.4
211.08771	0.4
213.10339	10.1
214.10645	0.5
217.13318	0.5
221.06590	1.4
223.08749	1.1
223.12346	0.3
224.09338	0.3
225.10327	1.4
226.11063	0.9
235.08791	0.5
236.09441	0.5
237.10374	1.7
239.11890	10.8
240.10133	0.3
240.12297	0.7
241.13451	6.0
242.13889	0.5
247.08803	0.5
249.10219	0.7
250.07353	0.4
251.08153	0.7
251.11990	2.9
253.09793	0.5
253.13554	0.4
263.08112	0.9
263.11942	0.8
264.08948	0.6
265.09833	2.6
265.12451	0.4
265.13391	0.3
267.11365	8.4
268.11728	0.8
269.13037	0.5
276.09143	0.3
277.09775	1.5
278.10443	1.3
279.08447	0.3
279.11218	1.7
283.10870	0.5
285.12442	13.6
286.12662	0.8
289.09787	0.4
291.08124	0.3
291.11386	1.4
293.09561	0.5
293.12924	1.9
295.10904	1.0
297.12466	1.1
300.11801	0.4
307.10974	0.4
309.12628	0.4
311.10144	0.3
313.13284	1.1
314.13406	0.7
315.14606	0.3
316.11423	0.4
316.14606	2.0
317.14960	0.3
323.10342	0.4
324.11475	0.9
325.12122	1.2
326.12933	0.7
327.10181	0.4
327.13733	1.2
328.10861	1.7
328.14517	1.4
330.12570	0.6
330.16254	0.8
332.17941	0.3
339.09958	0.4
339.14804	0.4
340.10849	1.3
340.14539	10.3
341.11484	1.1
341.15189	1.4
342.12454	1.8
342.16113	0.6
343.13184	1.9
344.13837	1.0
344.17593	0.5
350.09344	0.3
353.11844	1.1
354.12390	3.4
354.16177	0.4
355.13168	1.5
356.13977	4.9
356.17828	0.7
357.14819	1.7
358.15637	5.4
359.16147	0.7
366.12405	1.1
367.09180	0.5
367.13358	0.8
368.10300	1.3
368.14185	2.3
369.10919	0.7
369.14777	2.7
369.96292	0.3
370.11887	0.5
370.15540	3.3
371.12180	0.7
371.16461	0.7
372.13455	0.4
372.17236	2.0
378.12207	0.4
379.13089	0.4
380.09988	0.4
380.14188	0.4
381.11093	0.9
382.11078	1.3
382.16031	2.4
383.12531	0.8
383.16534	1.0
384.13403	5.6
384.17346	3.3
385.14166	1.0
385.18274	0.3
392.13974	0.5
394.11676	0.8
394.15787	0.8
395.12509	0.6
396.13235	2.3
397.14008	2.4
398.14709	3.6
398.19113	1.0
399.15546	0.6
400.16614	5.1
401.17017	0.9
408.17215	0.4
410.15097	2.7
411.15686	0.9
412.16656	6.5
413.17059	1.1
419.14978	0.4
423.12360	0.3
424.16537	1.0
425.13373	0.4
426.13614	0.8
426.18945	3.6
427.19049	0.4
431.14627	0.5
433.16635	0.8
438.14594	1.2
444.15567	2.1
445.16562	0.7
447.18085	1.2
448.18552	0.6
449.19727	0.7
450.20569	0.5
451.24481	0.3
452.16165	1.9
456.15570	1.0
460.19159	0.7
461.19821	1.0
462.20779	1.7
463.21207	1.6
464.21967	0.4
466.21219	0.4
469.26346	0.5
470.17041	0.8
473.15753	0.4
475.21695	1.4
476.22241	1.4
477.23032	3.9
478.23117	0.6
479.21112	0.4
480.21658	0.7
490.20169	0.5
491.20740	2.1
491.25620	0.9
492.21057	0.5
493.22455	1.2
494.22919	0.9
495.24136	2.8
496.24335	0.5
501.22998	1.3
502.19818	0.4
503.20901	4.0
504.21472	1.2
505.22476	0.4
509.25793	0.4
517.22668	2.6
518.22626	0.5
519.23962	4.7
520.24164	0.9
521.21924	2.4
522.22400	0.4
535.23566	0.8
537.25232	2.1
539.23297	0.5
545.21912	10.8
546.22443	2.0
563.23047	16.1
564.23303	3.0
567.22833	0.6
581.24103	10.2
582.24615	1.9
595.25854	0.4
607.21985	19.9
608.22247	3.5
613.27039	1.1
614.27039	0.6
625.23273	0.8
639.24701	3.1
640.25153	0.7
688.34625	0.4
695.22772	0.7
761.95715	0.3
829.30200	0.4
863.34790	0.6
888.78754	0.3
905.34949	2.5
906.35016	0.7
931.32318	0.7
937.36664	0.4
947.78180	0.3
949.34015	100.0
950.34247	27.9
950.54028	0.7
981.36554	31.5
982.36792	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	973.432
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37113	0.3
68.99837	0.4
69.03465	1.8
71.01386	52.3
71.73125	0.3
72.01714	0.6
72.99305	2.5
73.02952	41.0
74.03290	0.5
75.00885	0.9
81.03469	0.6
83.01396	16.1
85.02960	8.4
87.00885	7.3
87.01421	0.3
89.02454	15.6
95.01385	2.4
95.05019	0.3
95.72660	0.3
97.02958	1.3
99.00900	1.9
99.04547	0.6
101.02456	46.5
102.02805	1.1
106.06638	0.3
111.00928	0.4
111.04538	0.2
113.02463	20.0
113.40054	0.3
114.02795	0.4
115.00383	6.4
117.01953	0.3
119.03513	6.4
122.06139	0.5
123.08167	1.6
124.07654	0.3
125.02453	1.5
125.09711	0.4
128.03555	0.3
131.03516	5.3
132.04668	0.4
133.01454	0.3
135.08167	1.3
143.03525	5.2
147.02994	0.3
147.08170	1.5
149.04568	11.0
149.09773	0.4
153.06697	0.4
153.09236	9.1
153.10475	0.5
154.09619	0.3
155.03525	1.3
160.04021	0.3
161.04573	16.4
161.09732	0.3
162.04823	0.4
163.11279	0.5
165.01884	0.3
165.09180	0.9
168.06691	0.5
174.02019	0.4
175.02498	13.8
175.11308	0.7
176.02805	0.6
177.12744	0.3
179.05659	1.0
179.10797	0.7
187.11281	2.7
188.11560	0.3
189.09258	0.9
190.05132	0.4
190.09984	0.7
191.05569	0.4
191.10753	0.3
203.05608	2.6
203.10822	0.6
205.12338	17.5
206.12756	0.9
213.10281	0.3
219.10251	0.4
221.06677	7.4
222.07132	0.3
223.13403	2.6
231.04416	0.4
237.10301	1.9
253.09889	0.8
254.08035	0.3
255.11342	0.3
267.11319	1.2
273.12448	0.3
279.07767	1.1
281.09311	1.8
284.03329	0.4
285.03915	0.6
295.10782	0.5
299.13953	0.3
307.07159	0.3
309.08823	1.8
310.08942	0.2
311.10321	2.7
325.08411	0.3
325.11972	1.0
327.13632	0.3
337.08240	1.0
339.10046	0.5
341.11331	1.3
343.12784	0.4
351.10184	0.3
353.07849	0.5
355.09131	0.7
367.17618	19.5
368.17993	1.9
369.10968	1.0
371.12903	0.3
385.18677	14.8
386.18958	1.3
415.16235	0.6
415.23190	0.4
427.19733	100.0
428.20056	11.8
441.17813	0.4
457.17203	2.9
457.24274	0.7
458.17703	0.6
458.24170	0.3
591.18250	0.3
593.15442	1.0
721.21198	7.9
722.21320	2.0
735.23065	1.6
736.23523	0.4
753.23920	10.6
754.24255	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	967.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46101	7.9
71.01385	16.1
73.02940	3.5
83.01391	2.0
83.37865	0.8
85.02968	6.3
85.95204	0.8
86.00113	1.4
86.08321	0.9
87.00891	4.5
87.42621	0.8
89.02454	7.0
93.79892	0.8
95.01396	1.2
96.30397	0.8
99.00875	1.3
101.02462	11.2
104.37371	1.1
106.06633	6.2
107.03747	1.4
108.08206	47.1
109.08526	1.5
113.02479	7.5
115.00312	1.0
119.03526	1.8
120.08237	6.4
122.06125	15.0
128.03580	1.0
131.03497	3.2
132.04536	2.8
133.01401	1.1
134.06117	3.1
135.04504	0.8
136.07634	2.5
138.75938	0.9
143.03535	1.2
150.09251	1.9
152.07181	24.7
153.07578	1.0
158.02548	1.1
160.00597	1.0
160.03979	1.2
161.04575	5.4
164.07196	2.1
166.08685	1.0
174.01642	1.0
174.05704	1.1
175.02412	1.1
179.05589	1.5
190.05075	4.2
213.10330	1.0
221.06667	4.2
221.10802	4.2
223.08772	3.0
223.12210	1.0
224.09398	1.3
225.10315	0.9
226.18053	0.9
235.08832	1.3
236.09654	1.4
237.10252	3.6
238.11011	1.9
239.11882	4.4
241.13647	1.0
248.09377	1.1
249.06694	2.9
249.10316	4.8
249.13606	0.8
250.07468	0.9
250.10968	1.0
251.08102	2.9
251.11925	4.1
257.12958	1.1
261.10254	1.3
262.07428	3.0
262.10553	1.0
263.08185	14.6
263.11771	3.7
264.09012	7.6
265.09698	7.3
265.13025	1.7
266.10239	1.0
267.11304	1.3
269.12964	3.0
271.10892	1.2
275.08441	2.0
276.09012	6.8
277.09851	17.0
278.10587	5.2
279.11374	10.7
280.12042	3.4
281.12851	1.8
289.09744	1.8
290.10538	3.1
291.11368	14.4
292.12082	4.8
293.12839	2.3
301.13168	1.0
305.09198	4.8
306.07343	1.4
323.10339	2.3
328.14343	2.3
329.98792	0.9
337.11908	2.3
342.16122	4.3
343.16730	1.4
344.17593	1.6
356.17673	1.4
357.14764	1.1
358.19211	2.7
360.20718	1.2
370.15680	4.1
370.19571	1.6
371.15979	1.7
372.16882	4.1
373.21732	0.9
384.17154	4.7
385.17838	3.6
386.14545	1.5
386.18741	3.7
398.19046	4.9
399.19708	7.7
400.20273	5.0
401.21066	3.3
402.18054	1.6
404.19733	2.0
412.16507	1.9
416.20514	1.0
426.18298	10.1
427.18994	54.4
428.19742	11.4
430.17929	1.5
431.18387	1.8
433.20224	1.0
443.18552	1.3
444.19080	2.9
445.20102	19.3
446.20688	7.8
458.21072	1.4
459.17554	1.2
470.17133	2.8
471.18109	5.0
472.18588	1.9
481.26352	1.1
507.23996	1.1
521.25690	1.0
549.24957	15.5
550.25439	3.5
567.25861	5.4
568.26453	1.3
593.24084	17.6
594.24530	3.1
599.28619	1.7
625.26898	4.2
691.72839	1.0
812.29077	3.9
813.29962	4.9
814.31720	1.2
844.31555	2.8
845.31659	1.1
935.35883	100.0
936.36151	28.6
967.38599	62.1
968.38477	17.3
968.56000	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	963.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96085	0.4
71.01385	11.7
72.01716	0.1
72.99319	0.5
73.02937	0.1
80.31010	0.1
86.52785	0.1
87.00880	0.2
89.02441	0.4
93.03455	0.4
104.63490	0.1
108.14704	0.1
115.00388	11.9
116.00725	0.2
117.03468	0.1
119.05040	46.1
120.05381	2.0
121.02973	0.1
124.61654	0.1
133.01447	24.6
134.01788	0.6
135.04535	0.3
139.22900	0.1
157.61707	0.1
163.04022	100.0
164.04355	4.5
193.05026	0.1
252.96696	0.1
261.94272	0.1
279.05087	9.0
280.05457	0.5
596.09344	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	965.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73653	0.2
83.01401	0.5
84.41324	0.2
93.03487	0.2
107.01406	1.3
108.02212	0.6
109.02943	0.8
119.01429	0.3
121.02972	1.0
124.01725	0.1
125.02443	0.2
130.36284	0.2
135.00862	0.5
147.71788	0.2
148.01706	0.5
149.02405	0.3
150.03346	0.2
151.00388	7.2
163.00362	1.4
163.03995	0.2
164.01190	0.3
169.01459	0.5
178.99881	3.8
186.80562	0.2
187.04132	0.2
190.02637	0.2
192.00612	0.2
193.01570	0.2
199.03996	0.4
201.05545	0.3
210.76242	0.1
211.04018	0.5
213.01947	0.2
215.03476	0.4
216.04237	0.4
226.02664	0.9
227.03503	1.4
229.04994	0.3
230.05397	0.2
235.78494	0.2
239.03392	0.3
240.04265	0.3
243.02968	4.8
244.03413	0.5
245.04465	0.7
254.02171	1.4
255.02963	14.9
256.03329	1.1
271.02460	31.1
272.02939	2.8
273.03915	0.6
283.02466	0.7
299.02066	0.9
300.02756	63.9
301.03464	28.1
302.03796	1.7
327.13071	0.2
343.04495	0.5
609.14734	100.0
610.15070	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	953.479
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10194	11.6
71.01384	50.9
72.99299	4.8
73.02928	13.3
76.46071	2.0
81.03462	2.3
83.01380	8.1
85.02953	27.6
87.00888	3.6
89.00650	2.2
89.02452	18.2
95.01405	10.6
96.96043	2.1
97.02956	4.6
99.00883	7.0
101.02447	33.6
111.00925	3.3
112.01680	2.5
113.02462	32.0
119.03518	6.8
124.01681	9.9
125.02473	9.1
142.02812	3.2
143.03467	5.7
161.04585	4.4
267.06985	1.8
354.09113	2.2
487.58057	2.0
619.42554	3.8
745.45416	37.7
746.45575	8.0
763.46704	87.8
764.46912	18.5
781.47870	27.1
782.47894	5.7
805.47729	57.2
806.48212	12.2
823.48688	100.0
824.49011	28.0
865.50018	30.8
866.50562	8.0
938.79919	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	962.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	10.8
71.74092	1.0
72.99316	0.9
73.02953	3.6
80.05061	2.9
83.01396	1.4
85.02958	4.8
87.00896	3.1
89.02477	2.8
89.91282	0.5
94.06638	7.4
95.01367	0.9
96.96008	0.9
99.00901	1.1
101.02462	5.6
104.05066	0.8
106.06642	21.8
108.04549	1.3
111.00874	0.6
113.02453	3.4
115.00362	1.1
118.06644	0.9
122.06080	1.4
124.07706	6.2
128.03532	0.9
130.06654	1.2
131.03534	2.7
132.04564	3.2
133.01433	2.2
134.06123	5.7
135.04475	0.9
136.07715	3.2
138.05602	1.4
143.04590	1.0
146.06134	1.8
148.04021	0.8
148.07729	1.1
148.93950	0.6
150.05649	0.8
152.07257	0.8
158.06131	1.9
160.04015	1.3
160.07709	1.2
161.04585	2.8
162.05594	2.0
168.06693	7.4
169.06967	0.6
173.04999	0.6
174.05583	1.1
175.02463	0.9
180.06705	3.3
182.08173	0.6
186.05679	1.5
188.07195	5.7
190.05025	0.8
193.05103	1.3
207.09361	0.7
210.07806	0.8
211.08769	2.2
221.06683	1.6
223.08751	1.8
223.12415	1.1
224.09483	1.0
225.10284	2.4
227.11870	1.4
234.07950	0.9
235.08786	5.8
236.05885	1.3
236.09402	1.6
237.10298	2.5
238.07413	1.2
239.08206	1.3
239.11838	3.6
248.09512	1.0
249.06737	0.6
249.10172	3.6
250.07446	1.6
250.10933	1.2
251.08199	8.9
251.11897	4.5
252.08900	2.8
253.09865	5.4
254.10313	1.2
255.02927	0.8
261.10190	1.0
263.08203	4.0
263.11826	1.7
264.09024	3.0
265.09799	9.0
265.12823	0.9
266.10431	1.4
267.07883	0.6
267.08496	0.8
267.11389	6.3
271.02472	2.2
275.11981	0.8
276.08963	0.8
277.09830	6.4
278.07220	1.2
278.10464	3.7
279.07748	8.5
279.11340	12.9
280.08469	0.7
280.11899	1.7
289.09814	1.6
290.10486	1.0
291.07758	4.5
291.11343	2.0
292.08554	6.4
293.09296	10.5
293.12949	4.1
294.09860	1.5
295.10818	8.3
296.11295	0.6
300.02768	3.6
303.11337	1.6
304.08481	1.2
305.09296	5.1
306.10159	0.9
307.10861	9.1
308.11496	0.8
312.11340	0.6
314.12756	1.1
319.10767	2.7
320.07852	1.3
320.11258	0.7
321.08749	6.4
321.12469	7.6
328.11060	1.1
333.08850	2.7
339.09998	2.8
342.12512	1.2
344.14050	1.0
346.19189	0.8
347.10367	2.6
351.09866	3.4
353.11258	0.8
356.14154	1.6
357.14810	1.9
365.11328	1.1
370.15573	3.2
370.19586	1.0
371.16434	1.8
372.17123	8.1
373.17844	0.7
382.15930	1.1
384.17072	1.0
386.14627	1.1
386.19186	3.1
388.16803	1.2
390.18231	2.3
398.15121	5.5
399.15668	1.6
405.93790	0.6
412.16806	8.3
413.17053	1.4
414.18280	5.9
415.18576	1.2
416.16168	1.9
430.17697	2.4
432.19241	2.3
435.07364	0.9
440.16122	29.0
441.16672	4.0
458.17252	27.1
458.22217	0.6
458.23779	1.0
459.17535	3.8
476.18356	8.6
477.18661	1.2
502.16196	19.3
503.16418	2.3
534.18805	5.7
535.18945	1.1
593.15253	4.5
638.66986	0.6
879.31787	0.6
886.29199	100.0
887.29425	21.8
918.31726	37.6
918.50232	1.4
919.32098	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	945.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71996	0.3
78.95910	52.0
96.96024	0.3
96.96972	6.8
97.48414	0.2
121.59390	0.2
123.49403	0.2
136.13353	0.2
150.98044	2.3
152.99608	100.0
153.99927	1.4
171.00679	3.9
213.51823	0.3
224.94777	0.2
253.09117	0.2
277.21793	1.1
278.22165	0.6
429.30197	1.2
430.30399	1.8
431.22052	35.8
432.22360	3.9
657.70380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20842	0.5
74.31808	0.2
78.95908	20.1
83.22790	0.2
118.06876	0.2
122.00153	1.0
140.01201	4.8
152.99586	1.8
166.02867	0.2
196.03822	9.6
214.04880	2.2
253.89885	0.2
255.23283	100.0
256.23630	7.6
347.45526	0.2
372.14575	0.2
421.52982	0.2
452.27814	91.5
453.28131	8.6
568.21497	0.2
670.67206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30096	0.2
71.01390	6.3
71.46059	0.4
72.99323	1.0
81.35503	0.2
83.01404	0.6
89.02459	0.5
93.03487	0.2
106.24983	0.2
107.01399	1.6
108.02210	0.7
109.02954	0.7
111.63731	0.2
114.69146	0.2
115.00391	12.9
116.73019	0.2
119.05058	0.3
121.02967	3.1
124.39658	0.2
125.02431	0.3
132.02213	0.2
133.01454	27.6
134.01796	0.8
135.00917	0.3
139.73686	0.2
147.04518	0.8
148.01718	0.4
149.02467	18.4
150.02782	1.0
150.50854	0.2
151.00398	7.1
153.01971	0.3
159.04495	0.2
163.00398	1.4
163.04097	0.3
164.01097	0.5
164.04813	17.9
165.02025	0.3
165.05128	0.7
169.01393	0.7
175.71133	0.2
178.99887	4.1
179.07127	1.5
180.00307	0.2
187.04039	0.4
190.02719	0.2
190.99838	0.3
193.01587	0.3
199.03926	0.4
208.03955	0.5
211.04140	0.4
216.04233	0.3
223.06123	24.7
224.06479	1.3
226.02707	0.8
227.03575	1.5
229.05040	0.4
243.02959	4.6
244.03462	0.5
245.04536	1.0
254.02220	1.2
255.02980	15.1
256.03409	1.3
271.02475	28.3
272.02966	2.8
273.03940	0.6
276.46234	0.2
276.99887	0.2
283.02466	0.7
299.01920	0.7
300.02771	67.4
301.03491	26.5
301.07184	0.3
302.03934	1.7
339.07214	3.6
340.07388	0.4
342.85672	0.2
343.04507	0.4
347.40561	0.2
609.14764	100.0
610.15100	16.7
756.60480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56178	0.3
69.56609	0.3
78.95908	54.4
88.55166	0.1
96.96973	6.7
107.98402	0.1
108.32319	0.1
150.98036	2.1
150.99239	0.1
152.99603	100.0
153.99934	1.5
155.49530	0.1
171.00664	3.8
181.06491	0.1
210.45428	0.1
277.21744	0.8
297.36011	0.1
431.22034	44.6
432.22366	4.9
438.50391	0.1
817.90192	0.1
833.44727	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	935.212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00049	0.2
65.00316	0.7
65.03961	0.2
68.99817	0.6
71.01385	2.0
71.73516	0.3
72.99318	0.2
73.02942	0.4
83.01402	0.3
85.02957	0.3
87.00876	0.3
89.02478	0.2
89.04002	0.2
101.02456	0.5
107.01401	1.0
115.00388	2.2
117.03462	0.5
119.05033	0.6
124.01644	0.1
125.02447	0.2
125.21332	0.1
131.03516	0.2
133.01445	4.7
133.02930	0.3
134.03755	7.1
135.00853	0.3
137.02443	0.4
143.03526	0.2
143.05011	0.2
145.02983	0.1
149.02438	0.5
149.06087	0.4
151.00391	4.2
152.01089	0.2
155.04999	0.2
157.02948	0.3
159.04509	0.5
159.35147	0.1
160.01767	0.1
161.02449	0.6
163.00362	0.4
163.04066	0.9
163.06068	0.2
163.99834	0.2
164.01155	1.9
169.01469	0.2
171.04564	0.3
175.04010	0.5
177.01895	0.2
178.02687	0.4
178.99840	0.9
181.01410	0.2
181.39677	0.1
183.04506	1.0
185.02434	0.7
187.00305	0.3
187.04004	0.5
189.01958	0.4
193.01448	0.2
193.05066	6.9
194.05411	0.4
196.03775	0.6
199.04028	2.0
201.01941	5.3
202.02341	0.2
203.03513	4.5
204.03935	0.2
205.07114	0.2
211.03984	0.5
211.06108	1.1
213.01944	0.5
215.03517	0.5
227.03506	4.3
228.03761	0.3
229.01434	0.3
230.02229	0.4
231.02980	5.4
232.03461	0.4
243.02980	2.7
244.03413	0.2
253.01450	0.2
255.02968	3.7
256.03287	0.2
257.00928	0.5
271.02454	59.3
272.02808	4.6
282.01392	0.2
287.02533	0.1
298.01251	0.4
299.01971	100.0
300.02319	7.7
301.03638	0.9
309.06281	0.7
314.04202	0.3
316.02252	1.8
317.02914	0.4
387.27856	0.2
489.25839	0.1
555.49500	0.1
583.69080	0.1
625.14209	28.9
626.14569	4.6
630.91010	0.1
935.24182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03478	0.4
70.02978	0.4
70.16228	0.6
70.16626	0.4
71.01386	8.9
72.00929	0.6
72.01746	0.4
72.99323	0.3
73.02950	10.1
74.02479	8.1
74.99068	0.2
81.03448	0.3
81.04594	0.5
82.03004	0.9
83.01394	2.7
83.05034	2.1
85.02962	1.4
85.04062	0.3
86.02485	3.1
86.06109	0.5
86.99122	0.4
87.00899	0.3
87.05636	1.8
89.02455	1.6
89.97202	0.2
89.99644	0.2
90.00207	0.9
91.05524	0.5
93.07095	2.0
95.01421	0.3
96.04562	0.2
97.02998	0.3
97.04099	0.6
99.00911	0.3
99.05650	6.2
99.82187	0.2
101.02448	5.8
101.03077	0.4
101.07217	0.8
102.05626	1.0
104.08124	0.2
107.06157	0.4
109.04094	0.7
109.07701	0.3
111.05636	0.6
112.04053	0.7
113.02458	1.6
113.03623	0.2
116.01780	0.3
119.03550	0.4
119.05027	1.1
120.01257	0.4
123.05672	0.5
124.04054	0.4
125.02471	0.3
125.03571	0.4
126.01994	0.4
127.05157	1.4
128.03555	20.9
129.03922	0.4
129.99712	0.3
131.03572	0.4
131.04610	0.5
133.10266	2.9
135.05644	1.9
137.07262	0.5
139.05266	0.3
141.06702	1.7
143.04642	29.9
144.04967	0.5
144.05959	0.3
145.06602	3.4
146.04614	2.6
147.08218	0.3
153.06735	1.8
155.08354	0.3
157.10228	1.0
158.07399	0.8
159.06956	0.4
159.08189	2.9
159.99667	0.2
160.00757	8.1
160.08958	26.5
161.04582	0.4
161.09277	1.4
166.09863	1.1
167.03436	0.4
167.04623	2.2
167.08266	1.3
170.03325	0.4
171.04184	0.3
171.07846	0.5
173.09731	5.8
173.11197	0.4
175.11298	46.2
176.11636	2.7
177.03426	2.5
179.04633	7.0
180.07695	0.3
181.06183	0.7
184.10980	0.5
185.05667	1.3
192.07884	0.8
193.12419	0.3
197.05707	1.0
198.08841	0.4
210.08858	6.6
211.09135	0.3
219.10265	31.8
220.10577	2.0
228.09930	0.5
242.07802	0.7
254.07802	6.2
272.08881	6.8
273.09229	0.6
288.06561	3.7
306.07651	100.0
307.07956	6.6
365.70712	0.3
399.16611	6.1
400.17307	0.3
441.17654	68.4
442.17981	7.2
485.16522	4.0
486.16919	0.7
553.39227	0.3
868.15112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32532	0.1
70.02977	0.4
71.01388	1.5
71.45149	0.3
72.00911	0.2
72.99312	0.2
73.02960	0.9
74.02483	0.7
81.04585	1.0
82.02982	1.5
83.01391	0.3
83.02518	0.2
84.00921	2.2
84.04556	0.6
85.02966	0.3
85.04075	0.2
86.36250	0.2
87.00808	0.2
87.86518	0.1
89.02452	0.4
89.22101	0.1
97.04085	1.5
98.02509	0.9
99.02028	0.4
99.05674	0.8
101.02460	0.9
101.07230	0.3
105.14932	0.1
109.04082	0.8
110.02481	0.5
110.06160	0.2
111.02031	0.6
112.04053	0.3
113.02457	0.6
113.03569	1.1
115.00376	0.4
119.03483	0.2
123.05661	0.2
124.02802	0.4
125.03586	19.5
126.03928	0.5
127.05155	29.4
128.03555	56.3
129.03912	1.1
133.01466	0.2
135.05621	0.2
137.09698	0.2
139.05081	0.2
141.06683	0.4
141.99696	0.2
143.04568	0.3
144.01263	0.2
145.06201	3.2
145.07272	0.3
149.03534	0.2
149.07210	0.3
152.01460	0.2
153.03056	0.3
153.06731	0.4
157.06204	6.6
158.06627	0.2
159.02362	0.9
159.07770	5.0
160.00798	0.5
161.04488	0.2
163.03630	0.1
165.06743	0.2
166.09825	0.4
167.04640	0.3
167.08272	0.4
174.02348	0.3
175.05269	0.2
179.04654	0.6
180.07817	0.3
181.06212	1.0
182.09319	0.2
183.04114	0.6
184.04890	0.4
185.05698	0.3
191.04988	0.7
192.07790	1.3
193.06198	0.5
210.08849	8.0
211.09286	0.2
218.05701	0.3
224.06767	0.7
236.06741	0.8
242.11479	1.0
254.07787	0.4
256.09491	0.2
268.09445	1.8
286.10443	6.3
287.10770	0.3
288.06351	0.2
302.08231	1.1
320.09213	100.0
321.09537	5.0
879.74072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.3
70.16515	1.0
75.96272	0.2
83.01402	0.5
85.02952	0.2
93.03463	0.8
97.51060	0.2
98.20633	0.2
106.02581	0.2
107.01393	1.1
109.02983	0.5
115.00372	0.3
117.03481	0.2
132.02209	0.4
135.00888	0.6
143.05074	0.4
145.06577	0.3
151.00380	1.4
153.01930	0.4
157.06598	0.4
159.04567	0.5
163.00401	1.3
164.01108	0.2
165.01935	0.4
167.05019	0.3
169.06572	0.4
171.04552	0.4
173.02470	0.2
174.03217	0.3
175.02481	0.4
175.04007	0.2
185.06059	1.3
187.04002	1.2
189.05556	0.6
194.08963	0.2
195.04538	0.5
197.06012	0.8
199.03969	0.4
211.03954	1.4
212.04660	0.2
213.05531	1.3
215.03525	0.3
222.48424	0.2
227.03505	14.0
228.03876	1.3
229.05064	6.4
230.05450	0.5
239.03535	1.0
240.04285	0.4
241.04959	1.0
255.02983	27.7
256.03497	3.7
257.04507	4.0
258.04828	0.3
267.03082	0.4
283.02499	0.4
284.03259	42.8
285.04022	58.9
286.01437	0.4
286.04416	4.5
327.05002	1.0
593.15143	100.0
594.15491	15.7
769.59814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89199	0.5
67.91657	0.5
70.64449	0.5
71.18740	1.3
80.05063	7.2
87.86587	0.5
98.20525	0.6
104.05053	3.9
106.06644	14.6
108.04568	13.8
108.08154	0.7
116.05115	0.5
116.90872	0.6
121.05369	1.4
122.06115	1.2
124.07713	7.7
130.06616	1.6
132.04579	5.5
134.06145	4.1
136.07697	26.1
137.08046	0.9
148.04039	5.9
150.05637	2.7
152.07161	1.4
158.02484	2.3
158.06126	1.3
160.04053	3.7
160.07692	7.5
161.04823	1.0
165.04341	0.5
174.05646	5.1
178.05180	2.7
182.08562	0.6
183.09230	1.3
190.05153	1.4
195.09271	0.9
197.07231	1.0
197.10840	1.8
199.12466	1.2
207.09288	0.7
208.06497	0.7
208.10075	0.7
210.07956	2.3
211.08765	2.4
214.12418	1.1
221.07245	0.8
221.10760	1.1
223.08749	7.3
223.12399	1.3
224.09547	11.2
225.10324	11.9
226.10701	1.1
227.08249	1.0
234.04175	0.6
234.07913	1.7
235.08705	2.3
236.05901	1.0
237.06686	1.3
237.10303	5.4
238.08751	0.8
238.10968	0.6
239.11876	9.9
240.12173	0.6
241.09816	2.4
242.10562	1.6
247.08734	1.3
249.06677	0.7
249.10344	7.6
250.07492	5.8
250.10684	1.0
251.08238	16.9
252.08638	2.0
253.09760	1.2
255.11438	3.8
256.11890	1.3
257.12936	77.5
258.13278	5.9
263.08209	1.5
265.06689	0.6
265.09799	20.0
266.10327	2.6
267.11368	33.5
268.11682	2.4
269.09268	1.2
279.11423	0.6
281.12949	1.6
285.12332	1.2
291.07800	1.3
293.09314	17.8
294.09729	2.0
295.10864	4.1
299.10345	1.3
301.12057	1.0
309.08829	1.5
311.10361	17.6
312.10663	1.0
325.11926	3.6
337.08185	1.1
355.09482	5.1
364.16803	1.1
364.71811	0.6
390.18201	3.0
392.19754	1.7
402.18015	1.2
414.14709	0.8
418.17776	1.8
436.18771	38.8
437.19067	4.6
444.19180	2.0
467.20718	1.4
481.22641	0.8
483.24045	6.4
484.24426	0.9
489.23047	1.9
491.20981	2.3
509.22220	1.9
527.23248	0.7
533.22040	2.6
535.19830	0.8
549.21674	5.9
550.21655	1.7
551.22900	11.2
552.23181	2.2
577.20807	7.2
578.21771	0.8
595.21973	33.6
596.22406	5.2
621.19995	2.3
627.25177	2.9
639.21082	29.1
640.21686	6.2
671.23639	100.0
672.24005	20.6
672.33398	0.4
713.24622	1.7
799.28369	9.9
800.28534	2.4
833.28943	1.4
843.27734	27.8
844.28094	8.2
875.30176	30.8
876.30627	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	919.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72940	0.4
65.99844	0.3
71.43285	0.4
71.43637	0.6
73.02964	1.1
78.91854	0.4
80.05061	8.0
85.02953	0.9
87.00912	0.6
88.31888	0.3
89.02435	0.6
91.94624	0.4
94.06635	0.6
95.01379	0.4
96.95985	0.4
97.01756	0.4
100.28134	0.4
101.02460	1.2
104.05076	3.8
106.05917	0.8
106.06636	14.3
107.06995	0.5
108.04565	14.1
108.08219	0.5
110.06150	0.4
112.57391	0.4
113.02425	1.0
114.03506	0.4
115.00386	0.5
118.06624	0.4
119.03501	0.3
119.05025	1.0
120.04574	0.7
121.05355	1.1
122.06130	1.0
124.04061	0.4
124.07696	7.2
130.06670	2.0
132.04573	6.4
133.01501	0.4
133.23569	0.4
134.06133	4.9
136.07700	25.8
137.08054	1.4
138.05592	0.4
145.05305	0.4
146.06122	0.9
148.04079	5.5
149.04512	0.4
150.05678	2.9
152.07164	1.2
158.02469	1.4
158.06137	0.8
160.04083	4.0
160.07700	9.1
161.04776	1.1
162.05704	0.4
162.06923	0.9
163.07568	0.5
168.06734	2.2
171.09357	0.4
174.05614	4.6
175.02461	0.7
176.03554	1.5
178.05095	2.8
182.08447	0.5
183.09254	1.4
186.05562	0.5
187.06413	0.9
190.05069	2.1
194.04579	0.4
195.09268	0.8
197.07196	0.8
197.10847	1.4
198.07886	0.4
199.12358	0.6
201.07919	0.5
207.09276	1.1
208.06361	0.7
208.10098	0.6
209.07066	0.8
209.10812	0.5
210.07944	1.9
211.08769	2.3
212.06973	0.4
212.09247	0.5
213.13969	0.9
214.12396	1.3
221.07121	0.8
221.10811	1.0
222.07878	0.8
223.08815	6.4
223.12241	1.7
224.09525	9.8
225.10321	14.3
226.10738	1.1
227.08340	0.9
228.08826	0.7
229.11127	0.6
234.04059	0.9
234.07980	2.3
235.06670	0.4
235.08681	2.2
236.05913	1.3
237.06676	1.4
237.10321	6.4
238.08656	0.9
238.10991	1.0
239.08182	1.3
239.11880	10.8
240.12274	1.0
241.09868	2.7
242.10559	1.6
247.08658	0.4
248.09438	0.8
249.06679	1.2
249.10294	7.2
250.07433	5.4
250.10542	0.7
251.08229	17.4
252.08813	2.8
253.09688	1.0
255.11357	4.8
256.12054	0.8
257.12946	82.1
258.13269	5.7
263.08258	1.3
264.08899	0.6
265.09796	17.4
266.10422	3.4
267.11368	33.0
268.09006	0.4
268.11740	2.1
269.09229	1.0
275.08167	0.5
277.06354	0.4
277.09775	0.5
279.07562	0.4
281.12857	1.7
283.10864	1.1
285.12469	0.9
291.07571	0.7
292.08554	0.4
293.09320	18.4
294.09637	1.9
295.07724	0.6
295.10910	4.1
299.10547	0.8
299.13904	0.8
301.11932	1.1
307.10904	0.8
309.08798	1.3
310.09250	0.6
311.10370	19.2
312.10712	1.9
321.08871	0.5
325.11990	3.0
326.12906	0.4
330.12686	0.5
353.11481	0.8
355.09390	5.1
364.16470	1.0
371.34351	0.4
387.11914	0.8
390.18335	2.8
391.18262	0.4
392.19727	1.6
402.17966	1.0
414.14517	0.6
418.17688	1.3
436.18765	39.7
437.19159	6.4
444.19696	2.0
467.20822	1.4
481.22894	0.5
483.24075	7.0
484.24203	0.8
489.22726	1.3
491.21024	2.0
507.23941	0.7
509.21991	2.1
510.22623	0.5
523.19781	0.7
527.22717	0.5
533.21710	3.1
534.22040	0.8
535.19849	1.2
549.21478	4.9
550.21619	1.2
551.22931	10.2
552.22968	1.5
577.21039	6.4
578.21155	1.6
595.21979	32.3
596.22327	6.0
621.19952	2.0
626.47034	0.4
627.24988	3.2
639.21088	28.9
640.21332	5.4
653.22650	1.2
654.22491	0.4
671.23657	100.0
672.23975	20.2
672.32837	0.4
681.22418	0.6
713.24500	0.8
799.28436	8.6
799.42517	0.7
800.29370	2.1
815.45490	0.8
833.29578	0.8
843.27661	26.1
844.28058	6.8
875.30255	28.0
875.44824	1.0
876.30750	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	919.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53728	0.2
65.00333	0.6
67.64370	0.1
71.01387	6.2
72.99316	0.6
77.30821	0.1
83.01388	0.6
83.60691	0.1
87.00876	0.3
89.02456	0.6
89.03985	0.3
91.01906	0.3
104.71138	0.1
107.01401	1.8
108.02209	0.5
109.02956	0.7
115.00388	12.8
116.00753	0.1
117.03474	1.0
119.01344	0.2
121.02990	1.1
125.02423	0.2
133.01450	28.9
134.01727	0.6
134.03757	29.0
135.00908	0.5
135.04088	1.0
139.04059	0.1
148.01712	0.7
149.02492	0.3
149.06102	1.6
151.00394	6.5
152.00861	0.1
159.04543	0.2
161.02457	0.1
163.00410	1.4
163.04166	0.1
164.01164	0.4
167.04985	0.1
169.01428	0.6
175.04112	0.2
178.02753	0.4
178.99890	3.8
180.00157	0.2
187.04013	0.2
190.02748	0.2
190.99916	0.1
192.00659	0.4
193.05070	28.0
194.05354	1.6
199.03992	0.3
201.05542	0.2
203.03482	0.2
211.03998	0.7
215.03619	0.3
216.04292	0.3
226.02716	0.9
227.03517	1.4
229.05000	0.4
239.03503	0.1
243.02963	4.9
244.03545	0.3
245.04543	0.7
254.02177	1.5
255.02971	15.4
256.03275	1.2
271.02460	30.2
272.02878	2.7
273.03949	0.6
283.02444	0.6
299.02032	0.7
300.02753	62.1
301.03458	26.6
302.03891	1.7
309.06158	5.1
310.06531	0.3
343.04639	0.5
349.31522	0.2
607.33862	0.2
609.14740	100.0
610.15063	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	919.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55886	0.6
65.00319	2.0
66.00918	0.6
71.01397	4.9
71.73401	0.8
71.73807	0.8
73.02961	2.2
74.02483	1.7
78.95935	0.7
83.01391	1.4
85.02982	3.1
87.00903	0.9
89.02447	1.7
93.03488	1.4
101.02472	2.2
106.56428	0.7
107.01412	3.3
108.02195	1.9
109.02962	3.5
109.15721	0.7
111.00903	1.1
113.02483	1.2
113.03593	0.7
115.00377	3.7
119.05045	13.5
121.02978	1.7
122.06084	0.7
123.00888	0.8
125.02494	1.2
128.03548	2.2
129.01970	1.2
133.01457	6.1
133.02968	1.8
134.03738	1.6
135.00874	0.9
135.04524	1.5
145.03033	1.1
148.01727	1.7
149.02394	0.8
151.00391	12.2
152.01086	0.8
161.02483	1.7
163.00418	1.4
163.03976	5.6
169.01492	1.6
175.02422	0.7
177.01970	2.6
178.99858	6.5
179.03529	1.1
183.04485	1.4
185.05818	0.8
187.04102	1.0
188.01144	0.8
189.01985	2.0
193.05069	1.2
199.04010	2.1
200.14032	1.0
205.01454	1.2
205.03473	1.3
210.08778	0.8
211.03979	1.4
213.02023	0.7
215.03523	1.4
217.01358	1.0
223.04529	1.8
227.03548	3.7
229.05026	1.9
241.05025	1.4
243.02982	10.3
244.03616	1.0
253.05022	1.5
254.02254	2.0
254.05391	0.8
255.02966	20.7
256.03360	2.3
266.05719	0.8
269.04483	4.9
270.01807	0.7
270.05331	2.7
271.02466	61.8
272.02927	7.4
281.04486	3.6
282.01584	1.5
283.02448	10.0
284.03043	1.9
285.04190	1.0
297.04102	5.7
298.04675	2.2
299.01978	37.7
300.02740	100.0
301.03281	15.5
309.03976	1.0
311.01938	2.7
313.03604	1.3
314.04239	1.0
325.03403	1.1
326.04318	23.2
326.08133	1.2
327.04980	6.1
343.25470	0.8
391.08292	1.8
399.16782	1.1
399.26260	0.8
404.05704	0.9
405.06433	0.9
419.07495	1.3
420.08478	2.9
433.09323	2.8
446.06564	3.2
447.07294	1.0
609.14069	0.7
702.69208	0.7
715.10321	0.9
741.26178	0.7
753.25525	0.9
755.20697	48.1
756.21130	9.1
759.22009	1.4
781.22327	9.2
782.22198	1.5
803.20654	2.5
901.24792	3.7
902.24902	1.2
918.42499	1.5
919.25452	40.9
919.41986	3.0
920.25653	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	917.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00068	0.2
65.00355	0.6
70.21544	0.6
70.21957	0.4
71.01392	0.2
73.99756	0.2
74.99106	0.2
79.95716	0.2
81.74762	0.2
83.01377	0.4
85.02972	0.2
95.95249	0.6
96.96021	1.2
107.01387	1.1
108.02261	0.2
109.02975	0.4
115.00367	0.3
118.05048	0.2
118.26778	0.2
119.05061	0.3
121.02999	0.2
125.73011	0.2
133.01416	0.4
133.02940	0.4
135.00893	0.3
135.04533	0.2
144.25296	0.2
147.00937	0.5
148.01814	0.2
149.02513	0.3
151.00392	4.7
163.00385	0.3
163.04007	0.5
169.01459	0.4
171.04503	0.8
173.02432	0.2
175.00397	0.5
175.04007	0.4
178.99869	1.7
187.04041	0.5
193.05029	0.2
197.02571	0.2
199.04022	2.5
201.02055	0.8
203.03535	0.5
211.03966	0.2
215.03464	1.4
216.03983	0.3
226.02708	0.5
227.03477	2.6
237.43758	0.2
242.02158	0.3
243.02979	3.8
244.03256	0.4
254.02321	0.2
255.02968	4.7
256.03387	0.3
271.02460	57.6
272.02823	5.0
272.05847	0.2
282.01755	0.2
299.01981	100.0
300.02643	30.8
301.03418	8.3
302.03857	0.7
313.03357	0.3
343.04697	0.4
408.04355	0.8
409.05115	0.4
462.08023	13.1
463.08469	2.4
750.40112	0.2
755.20673	19.5
756.21210	4.4
798.27106	0.2
852.87305	0.2
881.56940	0.2
917.25922	35.6
918.26233	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	919.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94112	0.3
71.01388	7.3
71.72446	0.4
71.72837	0.5
72.99297	0.5
83.01405	0.7
85.02933	0.3
89.04008	0.4
107.01402	1.2
108.02191	0.8
110.92815	0.3
115.00388	6.7
117.03475	2.4
119.05018	0.9
121.02976	0.7
125.02433	0.5
133.01454	15.7
134.03758	31.3
135.00870	0.6
135.04117	0.8
137.02478	0.5
148.01686	0.7
149.06151	2.4
151.00377	4.3
152.01172	1.7
153.01984	0.4
163.00377	0.7
163.04007	1.1
169.01442	0.5
173.07549	0.3
178.02731	2.3
178.99896	3.0
192.00665	0.4
193.05074	46.0
194.05374	2.5
199.04083	0.4
211.04126	0.4
215.03583	0.4
226.02786	0.7
227.03485	1.2
243.02989	6.7
244.03490	0.6
254.02188	2.0
255.02974	18.0
256.03360	1.4
271.02460	40.7
272.02921	4.8
284.03229	0.4
285.03998	0.6
299.01929	1.2
300.02756	87.1
301.03265	10.7
309.06177	4.0
313.03427	0.6
314.04337	2.4
346.03207	0.5
495.09290	0.7
609.14746	100.0
610.15100	17.5
702.24591	0.4
875.26190	0.8
919.24957	1.6
920.24719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
71.72597	0.3
73.72924	0.3
78.03906	0.2
78.95907	28.8
79.63201	0.3
91.36934	0.3
96.96977	2.2
150.98076	0.8
152.99605	45.8
153.99953	0.5
154.84857	0.3
171.00644	9.6
171.02106	0.5
200.10030	0.3
218.92163	0.3
227.03297	2.6
228.03613	0.3
245.04301	47.6
246.04686	1.8
253.21712	20.1
254.22047	1.9
292.93982	0.3
433.23584	2.9
434.24072	0.4
481.25696	100.0
482.26068	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	911.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45665	0.4
69.46072	1.2
82.26736	0.2
83.01429	0.2
84.04569	0.4
93.03526	0.2
94.02995	0.3
94.06644	0.4
96.08235	0.3
97.01678	0.2
100.87921	0.2
101.02473	0.2
104.05061	1.1
107.01418	0.4
108.04585	0.2
118.03015	0.9
120.04563	0.4
121.05370	0.2
122.06140	5.1
123.29091	0.1
124.04044	0.4
124.07701	3.6
130.02986	0.2
131.03763	0.5
132.04575	0.3
134.06151	0.3
136.07704	11.1
137.04831	0.2
137.08031	0.4
148.04106	0.4
149.04793	0.4
150.05637	1.5
151.00383	0.7
152.07227	0.2
161.07281	0.3
163.00418	0.2
164.03563	1.7
166.05092	0.2
168.06721	0.8
181.03828	0.7
185.05849	0.2
185.07280	1.3
187.03914	0.4
189.05432	0.1
194.04529	0.2
196.07686	1.2
197.07315	0.2
198.04356	1.2
198.07837	0.2
199.08739	0.2
200.07170	0.2
200.10922	0.8
201.05756	0.2
210.09309	0.5
212.11128	0.9
213.05473	0.2
213.10233	0.4
215.08281	0.2
215.11845	0.2
223.06430	0.2
225.06702	1.8
225.10284	0.4
226.07289	1.4
226.10951	0.2
227.03523	3.9
227.08252	7.6
227.11664	1.1
228.03970	0.3
228.08723	0.5
229.05008	1.3
229.09813	0.5
229.13437	0.4
230.11899	0.3
237.10332	0.6
238.08670	0.5
239.03506	0.2
239.08234	2.6
240.09041	5.9
241.04933	0.2
241.09544	0.4
243.11366	5.0
244.08473	0.3
244.11813	0.3
253.09734	0.4
255.03009	6.7
255.11383	30.2
256.03470	0.8
256.11740	2.8
257.04581	1.2
258.10034	0.7
267.03146	0.2
271.10913	1.1
272.08002	0.7
272.11249	0.8
273.12436	100.0
274.12750	7.5
284.03247	11.7
285.04037	15.8
285.07468	0.2
286.04395	1.1
299.10474	0.3
315.09760	0.5
316.10223	0.4
317.11432	71.6
318.11774	5.7
593.15137	33.5
594.15454	5.1
595.16333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03496	1.0
66.36416	0.6
69.86876	4.0
71.01385	4.7
73.02966	3.1
74.34190	0.7
80.05064	3.9
83.01427	0.6
85.02943	0.7
86.69421	0.6
87.00883	0.7
88.98792	0.8
89.02457	0.8
89.76266	0.6
91.02073	0.6
94.06636	43.4
95.01414	0.8
95.06983	0.8
96.96001	0.9
98.19870	1.3
101.02452	2.9
105.05862	1.2
106.06644	27.7
107.03802	3.8
107.06984	1.1
108.04593	1.3
110.02525	0.6
113.02483	1.5
120.04581	0.7
120.07375	1.4
120.08210	22.7
121.05355	2.6
121.08556	1.4
122.06141	50.5
123.06496	1.5
124.07700	31.8
125.08033	1.8
126.88578	0.6
130.06639	0.9
132.04561	4.4
134.06180	3.9
136.07695	2.7
137.48988	0.6
138.05630	3.8
144.04596	1.0
144.08173	0.7
148.04111	1.5
148.07726	1.2
150.05617	1.5
150.06754	1.0
152.07214	0.9
158.02477	2.5
158.06148	0.9
159.76245	0.6
159.93484	0.6
160.04054	2.9
161.04663	1.2
162.05510	0.8
163.07626	0.6
164.07164	1.9
168.06677	30.9
169.07014	1.6
172.07634	0.8
174.05620	2.9
174.09277	1.4
176.07184	1.0
179.10730	0.9
180.06688	3.4
182.08226	2.4
190.05110	10.0
197.10895	1.7
200.07104	0.9
209.10841	1.4
210.07874	1.1
211.12402	1.8
213.10197	1.5
217.13420	1.3
220.10078	0.7
221.10873	8.6
222.07935	1.3
223.08781	9.9
223.12315	1.3
224.09508	2.7
225.10292	4.2
227.11940	1.1
233.10880	0.9
234.07907	1.0
235.08827	2.3
235.12418	2.5
236.09435	2.2
236.40034	0.7
237.10350	10.9
238.10983	4.7
239.08167	0.7
239.11903	10.1
240.12183	1.2
241.13504	5.0
243.15063	1.7
247.08635	0.8
249.06680	2.3
249.10339	7.1
250.07454	1.9
250.10988	0.9
251.08315	6.5
251.11897	9.6
252.08759	0.8
252.12570	1.8
253.09781	1.6
253.13411	1.4
261.07639	0.6
261.10330	2.9
262.07449	1.9
262.11084	1.7
263.08289	11.5
263.11786	5.0
264.09000	17.2
264.12259	1.8
265.09763	12.8
265.13367	3.8
266.10437	2.4
267.11383	4.7
268.11813	1.1
269.12909	4.5
271.10852	2.7
273.12283	0.7
275.08319	2.4
275.11807	1.4
275.33154	0.8
276.09055	7.1
277.09836	20.6
277.13123	1.0
278.10519	7.8
279.11380	34.8
280.05261	0.7
280.12039	9.2
281.12885	2.6
283.10837	1.4
285.12418	5.3
287.13989	2.1
289.09869	2.5
290.07303	1.1
290.10510	5.1
291.11420	21.7
292.12085	9.9
293.12885	5.5
295.10822	2.7
295.14502	1.0
295.52429	0.7
297.12381	4.2
301.76370	0.7
303.11404	1.7
304.11978	1.3
305.09250	5.2
305.12982	4.5
306.10358	1.2
306.13620	4.5
307.14090	0.9
309.12393	0.7
311.14020	2.1
322.09512	1.4
323.10294	6.1
324.11172	3.6
325.11987	1.0
326.13000	0.9
327.13596	2.1
328.14438	1.3
330.16162	1.3
335.10425	0.8
336.11160	2.2
337.11780	0.8
342.16199	7.7
343.16702	1.3
344.17755	1.5
346.19263	0.8
349.12006	1.3
350.12836	1.1
354.12323	1.0
355.13147	1.1
356.13837	1.5
356.17770	1.6
358.15503	1.1
358.19315	0.9
359.16281	1.8
360.17154	4.3
361.17792	1.9
362.18762	1.0
368.14023	3.0
369.14597	1.3
370.15573	7.6
370.19568	0.7
371.12476	1.6
371.16306	1.7
371.20236	1.1
372.17178	1.8
373.18036	1.0
374.14911	1.0
374.18787	7.2
375.19232	2.2
376.20416	3.1
382.15598	2.3
383.16302	1.9
384.17282	5.5
385.17883	1.4
386.14554	4.0
386.18930	1.6
388.16492	6.1
389.21393	0.9
396.17072	2.0
397.17990	1.7
398.19064	5.3
399.19675	5.7
400.16248	1.2
401.17599	3.2
402.18204	5.3
403.19235	1.0
410.14767	0.8
413.17392	0.9
414.18347	3.1
415.19055	1.0
416.19833	22.8
417.20392	8.6
418.17279	1.9
419.18390	1.5
420.19189	3.3
421.19608	0.9
424.16455	1.7
425.17410	8.8
426.18008	1.5
428.16077	2.7
430.17413	1.3
431.18283	1.1
442.17838	8.8
443.18506	37.6
444.18991	6.6
446.17203	1.7
449.19775	0.8
460.18814	18.1
461.19550	55.5
462.20007	7.7
464.17944	0.9
474.20349	2.7
486.16428	1.5
487.17480	1.8
492.21390	14.5
493.22531	3.3
497.25562	1.5
518.19226	4.4
519.18842	1.0
521.25421	1.6
523.23621	1.1
536.19922	1.3
539.26642	7.7
540.26917	1.0
547.23315	3.2
565.24579	11.7
566.24957	1.8
569.23938	2.2
583.25659	100.0
584.25922	17.3
597.27252	1.3
609.23743	35.5
610.24060	5.3
615.28375	72.3
616.28601	14.5
627.24866	6.4
641.26288	11.1
642.26416	2.0
657.28857	1.4
658.42438	1.1
659.27411	12.9
660.27673	2.9
669.25787	2.2
700.43256	1.2
701.28583	4.0
708.25055	4.3
709.25098	6.3
740.26868	8.4
741.27441	3.2
773.26074	1.0
831.31158	82.7
832.31543	21.1
863.33899	64.9
864.34082	17.5
940.08978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64185	2.4
71.01382	4.5
72.99305	1.7
73.02942	2.5
80.05070	6.0
85.02960	1.1
94.06055	1.4
94.06635	19.8
101.02436	1.8
104.05060	1.8
106.06639	20.8
107.06955	1.2
113.02448	2.8
116.92783	1.5
117.60201	1.1
120.04541	1.6
120.08198	1.6
121.05333	1.8
122.06133	10.6
124.07701	15.4
132.04570	5.4
134.06137	10.4
148.04012	1.5
150.05550	1.3
156.74208	1.1
158.02441	1.7
158.06203	1.4
160.06435	5.4
162.06862	2.7
168.06676	10.2
174.05647	2.6
177.09178	2.0
180.06616	1.5
190.05104	5.7
192.06784	1.1
212.73845	1.2
213.10355	21.3
214.10542	1.1
217.13419	1.6
223.08679	1.9
224.09486	1.3
225.10376	2.8
226.11108	2.4
237.10301	3.1
239.09648	1.3
239.11920	20.1
240.12154	2.0
241.13490	12.1
251.11882	4.4
253.13557	1.7
263.11777	1.2
264.08963	1.1
265.09839	2.5
267.11353	11.1
269.12903	1.8
277.09769	1.5
278.10626	1.6
279.11255	3.1
283.10794	2.3
285.12436	39.5
286.12790	3.0
291.11221	1.8
293.12799	6.3
295.10962	1.7
297.12390	1.2
316.14539	3.9
324.11557	2.1
327.13513	1.9
328.10913	3.2
328.14514	1.7
329.15067	1.3
340.10861	2.7
340.14493	15.2
342.12485	2.8
343.13181	3.1
344.14072	2.4
354.12296	4.2
355.13266	2.1
356.14157	5.6
356.17749	1.8
357.14883	2.2
358.15665	13.4
359.15988	1.7
367.13202	1.2
368.10159	1.7
368.14172	2.5
369.14746	3.6
370.15625	3.8
371.12305	1.3
372.17212	3.1
382.15628	3.3
383.16254	1.8
384.13235	4.8
384.17447	6.4
385.13760	1.8
396.13354	2.7
397.14160	3.2
398.14981	4.3
398.19385	2.3
399.15527	1.8
400.16803	8.4
400.35068	1.2
410.15128	3.0
412.16614	8.7
426.18402	2.2
444.15234	2.1
452.16238	1.9
462.20465	1.5
463.21002	1.2
469.25754	2.0
475.21341	1.7
477.22891	4.6
491.20056	1.4
494.23447	1.5
495.23941	7.7
496.24634	1.5
503.20837	3.6
504.21152	1.9
505.21091	1.3
517.22546	2.0
519.23895	5.8
521.21692	1.8
537.25214	11.8
538.25342	1.4
545.21783	8.7
546.22870	1.3
563.23065	15.5
564.23206	2.3
575.18726	1.6
581.24121	87.9
582.24390	18.0
607.21960	42.0
608.22583	6.2
613.26862	35.4
614.26923	6.8
625.22913	6.7
626.23260	1.4
639.24762	7.1
649.23126	1.5
655.27612	2.1
657.25751	5.3
658.26489	1.7
699.27057	1.8
765.78882	1.5
829.29559	100.0
830.29810	22.8
861.32288	29.9
861.47125	1.5
862.32892	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	905.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53366	0.5
68.41653	0.5
71.01398	3.6
71.73989	0.7
73.02930	1.0
80.05067	4.7
83.01395	0.7
85.02955	1.0
89.02464	1.2
96.95994	1.1
101.02440	1.5
104.05058	0.8
106.05923	0.7
106.06650	11.5
108.04568	9.6
108.08210	3.2
113.02447	0.8
115.00382	0.6
122.06129	4.1
124.07706	5.3
132.04562	9.3
132.08211	1.7
133.01445	1.1
134.06131	5.8
134.09760	2.0
136.07710	18.0
137.08025	0.8
146.06090	0.6
148.07672	1.1
149.06096	0.9
150.05634	1.9
150.06871	3.9
151.07309	0.6
152.07158	3.8
160.07632	0.8
162.00365	0.5
163.07649	2.1
165.04305	0.7
168.06836	2.2
174.05605	0.7
175.02707	0.5
178.05092	2.6
179.10742	2.2
183.09233	4.9
183.10371	0.4
199.12437	1.7
210.07964	1.3
211.08778	1.0
212.10803	1.5
213.10269	3.2
213.13893	0.8
224.09576	3.5
225.10355	5.7
226.10689	0.6
227.08046	0.5
228.08980	0.7
239.11833	4.9
241.09833	1.6
241.13419	1.2
242.10541	1.0
249.10443	0.7
255.11432	3.4
257.12958	52.3
258.13205	3.9
267.11334	2.4
283.10941	1.8
285.12503	3.1
299.10303	0.7
311.10468	0.8
325.12024	0.8
327.09720	0.7
329.11386	4.9
364.16513	1.2
390.18341	1.6
392.19659	2.7
418.17032	1.0
418.22073	0.9
436.18796	41.9
437.19138	5.6
462.20566	3.8
467.20819	2.7
493.35254	2.9
494.35599	4.1
495.36462	1.4
497.21906	0.8
509.22025	1.1
525.24823	0.8
551.22998	1.2
553.20801	0.8
569.24042	7.6
570.24286	1.2
595.22052	2.0
613.23187	100.0
614.23517	16.6
638.39868	0.8
655.24121	1.5
656.40668	0.8
667.64752	0.7
698.42236	2.9
699.43176	2.3
775.28516	1.3
789.43524	1.4
817.29608	30.7
818.29919	5.5
843.27545	0.7
863.09979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02412	0.5
63.11262	0.2
65.00317	1.3
69.39831	0.3
69.40236	2.3
71.01394	1.7
81.03465	0.2
83.01394	0.8
98.20627	0.5
103.23515	0.2
107.01400	2.9
109.02968	1.0
115.00394	2.8
119.05051	1.6
121.02988	0.3
124.01669	1.3
125.02457	2.5
133.01440	6.7
135.00891	0.3
135.04520	0.5
136.01671	0.7
137.02464	1.5
142.49608	0.2
149.02383	0.2
151.00386	11.4
152.01215	2.1
153.01854	0.3
161.02455	0.3
163.00398	2.6
163.04068	1.7
164.01160	3.4
165.01930	0.8
169.01474	1.8
175.03954	0.4
178.99876	12.6
180.00224	0.5
187.04057	0.3
189.01903	0.4
190.99855	1.1
192.00676	0.7
193.01439	0.7
201.01930	0.7
203.03505	0.6
203.10835	0.2
204.04268	0.3
209.00926	0.3
214.02737	2.8
215.03374	0.5
227.03580	1.0
231.02925	0.3
232.03615	0.3
240.65898	0.2
242.02223	2.7
243.03023	1.9
244.03723	0.3
255.02902	0.8
255.06630	0.2
256.03751	0.3
259.02490	2.5
260.02896	0.3
267.06729	0.3
269.04474	0.3
270.01666	3.4
271.02454	22.6
272.02817	1.8
287.01984	9.7
288.02475	1.6
297.04037	0.4
299.01978	6.6
300.02615	2.2
301.03461	0.4
314.04181	0.3
315.01315	0.4
316.02240	59.9
317.02899	15.1
318.03354	1.0
359.03851	0.3
437.08844	4.0
438.08893	0.5
441.65240	0.3
445.49945	0.2
604.26563	0.2
609.15186	0.3
625.14191	100.0
626.14545	15.1
652.16681	0.2
695.94104	0.3
745.19928	2.3
746.19360	0.5
755.20685	0.4
771.17670	0.3
789.19165	0.8
929.96857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	0.5
68.99814	0.5
69.38729	2.4
71.01392	1.8
73.02937	0.5
83.01410	0.3
87.00901	0.5
95.46599	0.2
101.02454	0.3
105.43066	0.2
107.01442	1.1
113.02531	0.2
115.00378	1.4
119.05050	3.5
127.05535	0.2
133.01456	3.3
135.04457	0.2
137.02423	0.4
145.02998	0.2
149.02444	0.6
151.00389	3.2
155.05008	0.4
157.02998	0.3
159.04523	0.8
161.02518	1.0
163.00371	0.3
163.04034	3.3
164.01186	1.8
164.04333	0.2
171.91098	0.2
175.04054	0.5
178.99837	0.8
183.04546	1.3
185.02458	0.8
187.00420	0.3
187.04013	0.5
189.01932	0.7
199.04022	2.2
201.01958	6.4
202.02309	0.3
203.03506	4.9
204.03871	0.4
211.03914	0.4
213.01987	0.3
215.03418	0.3
227.03497	5.6
228.03835	0.3
229.01518	0.4
230.02138	0.4
231.02986	6.0
232.03258	0.3
243.02948	3.0
255.02962	4.2
256.03326	0.4
257.00912	0.5
271.02472	66.1
272.02777	5.1
279.05145	0.3
287.01685	0.3
298.01208	0.3
299.01981	100.0
300.02319	8.8
301.03433	0.6
316.02261	1.8
317.02884	0.5
518.69745	0.2
579.66333	0.2
625.14246	30.7
626.14575	5.1
683.26007	0.3
771.18433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	0.6
69.75385	1.8
71.01385	5.2
72.99311	0.5
73.02947	0.3
81.68370	0.2
83.01396	0.8
89.02453	0.5
95.05027	0.4
102.89970	0.2
103.59804	0.2
105.03495	0.8
106.03828	0.5
107.00761	0.2
107.01408	1.5
108.02209	0.7
109.02974	0.8
115.00391	12.3
116.00741	0.4
118.61566	0.2
119.05054	2.6
119.33199	0.3
120.05392	0.5
121.02985	1.2
133.01454	33.1
133.02942	6.8
134.01787	0.6
134.03688	2.2
135.00926	0.5
135.03604	0.2
135.04556	5.9
136.04825	0.3
148.01703	0.6
149.06110	0.9
151.00389	6.8
151.01563	0.5
152.00801	0.3
161.02496	0.3
161.06097	0.3
163.00360	2.0
163.04059	1.2
164.01257	0.6
169.01476	0.8
177.01942	4.6
178.02287	1.8
178.99896	3.9
179.03548	5.8
180.06657	0.4
183.04512	0.4
187.03993	0.3
191.03596	0.2
193.05106	0.6
199.03957	0.4
211.04015	0.8
216.04295	0.3
226.02673	0.6
227.03558	1.7
228.04076	0.3
229.05093	0.4
239.03485	0.3
242.97682	0.3
243.02966	5.5
244.03470	0.9
245.04523	0.9
254.02232	1.4
254.09358	0.5
255.02980	16.6
256.03391	1.5
269.12006	0.3
271.02475	32.1
272.02881	3.3
273.03979	0.8
283.02487	0.7
295.04623	3.5
297.03778	0.5
299.01999	1.0
300.02765	67.2
301.03461	29.0
302.03839	3.1
313.10876	1.0
314.11087	0.4
343.04626	0.3
357.09811	9.4
358.10071	2.8
427.19708	0.5
473.10565	1.6
474.11154	0.9
481.36600	0.4
590.12207	0.3
609.14758	100.0
610.15082	19.6
611.15125	2.0
612.15411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98523	63.3
70.22356	66.1
70.22771	96.7
71.01374	84.3
80.44662	28.2
83.03259	26.8
85.02949	33.5
89.02418	47.6
98.19986	41.5
101.02465	61.8
113.02429	36.2
125.02441	38.8
148.35178	25.2
166.47177	29.2
175.68535	30.8
306.86813	27.9
487.16080	27.6
559.18671	66.5
560.19128	52.1
561.19073	100.0
562.19598	83.0
577.20142	38.9
578.21008	35.4
579.20862	34.1
831.13605	29.7
900.41492	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.411
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98522	68.4
62.99244	29.2
63.00725	23.7
70.85206	76.3
71.01379	80.8
73.02955	31.6
89.02453	52.7
101.02441	88.4
113.02499	25.6
152.28558	21.3
200.64113	23.9
220.58623	24.0
417.14526	35.6
494.47034	27.3
559.18524	49.3
560.19159	41.3
561.19342	100.0
562.19519	57.8
779.44720	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	903.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67397	5.1
71.01392	11.5
73.02941	2.1
74.93784	0.7
83.01389	1.4
89.02434	1.1
89.03954	0.6
93.03469	7.5
101.02454	1.6
107.01414	1.9
108.02190	1.7
109.02927	1.8
113.02456	0.9
115.00400	8.4
117.03416	1.2
119.05044	32.6
120.05399	1.8
121.02953	1.7
123.04536	1.0
125.02496	0.8
132.02209	2.0
133.01462	14.1
133.02991	3.2
134.03731	1.5
136.01665	1.7
145.02937	2.0
149.02481	5.1
150.03281	3.7
150.99258	0.8
151.00334	3.4
151.04059	0.9
159.04503	1.4
161.02451	4.1
161.04590	0.8
163.00351	1.6
163.04033	57.6
164.01123	0.9
164.04527	2.6
165.05580	6.2
169.01439	0.8
171.04486	1.6
175.03932	0.8
177.01910	5.2
178.02637	1.3
178.99828	2.2
179.07121	1.7
183.04543	4.1
185.06125	1.5
187.04031	1.2
188.01085	1.4
189.01901	3.0
190.02675	1.5
193.05037	1.7
195.04781	1.3
195.06651	5.1
195.08180	1.1
197.06042	2.5
198.03267	1.0
199.04013	2.5
201.05592	0.8
202.99879	1.0
209.06165	1.3
211.03958	4.8
213.05495	3.8
221.06219	0.8
223.04039	1.6
224.04744	2.6
225.05507	3.2
226.02693	0.9
226.06165	1.6
227.03522	25.0
227.07120	2.5
228.04005	2.1
229.05026	3.2
237.05586	4.4
238.02742	0.9
239.03465	4.8
239.07094	1.7
240.04205	2.3
241.05006	4.7
242.05800	1.4
253.05074	27.9
254.05551	3.5
255.02975	34.2
255.06528	3.4
256.03531	3.5
257.04480	0.9
265.04990	3.1
266.02185	2.3
267.02979	26.0
268.03613	2.7
269.04559	10.1
270.05258	2.4
271.06125	4.1
279.05206	3.4
281.04565	12.0
282.05237	8.3
283.02524	38.4
283.05975	6.3
284.03238	26.0
284.06412	1.5
285.04031	11.4
295.02487	4.8
297.03955	3.3
298.04581	2.3
299.02356	0.8
308.03311	1.5
309.04099	3.7
310.04840	63.7
311.05551	37.8
312.05923	2.6
312.09988	2.0
327.12411	9.5
328.12607	1.1
330.03809	3.2
331.06012	0.9
332.06873	3.7
333.07547	2.8
337.03159	1.0
337.42868	0.9
347.09253	32.8
348.09662	4.4
361.07190	2.5
375.08749	4.4
375.14478	6.4
376.09534	3.7
388.05936	1.1
389.06683	13.8
390.07108	2.7
403.08350	3.0
404.08948	17.1
405.09802	6.4
430.06924	13.3
431.07495	2.6
448.08078	1.9
579.21265	1.8
739.20905	4.4
765.22931	17.2
766.23138	3.4
859.27960	1.4
885.24744	17.0
886.25195	3.2
903.25983	100.0
904.26257	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65512	0.4
69.03465	2.1
71.01387	55.5
71.73775	0.4
71.74187	0.5
72.01718	0.7
72.99322	3.1
73.02953	15.2
75.00885	0.7
81.03476	2.4
82.02991	1.0
83.01395	7.0
83.05012	2.0
84.02172	1.0
85.02959	23.0
86.03314	0.5
87.00883	3.8
89.02453	14.1
93.03466	5.7
95.01414	4.8
95.05048	1.3
96.96020	0.6
97.02968	2.9
99.00893	5.9
101.02458	37.6
102.02773	0.7
111.00900	1.7
111.04514	2.8
113.02465	17.9
113.07216	1.4
115.00397	1.0
115.03945	0.5
119.03518	5.1
119.04977	0.5
121.02961	4.0
123.04559	1.2
125.02471	5.2
127.05108	1.2
129.01944	1.0
131.03499	1.4
133.01471	0.7
139.03958	0.7
143.03522	3.5
144.03789	0.4
145.06488	0.4
149.04655	0.4
149.06088	1.8
154.99884	0.5
159.03023	2.4
159.04991	0.4
161.04582	10.8
162.04845	0.4
163.04037	0.4
168.10938	0.4
175.02510	0.7
179.05659	2.8
189.07039	1.4
197.01749	0.4
205.03568	0.5
217.07245	0.4
221.06616	2.3
233.06633	0.5
238.08382	1.7
245.06577	0.9
247.16908	0.5
263.07632	1.4
278.22443	0.7
308.67987	0.5
323.09790	5.2
371.22382	0.5
404.92432	0.5
497.28763	1.1
515.30103	7.5
516.30347	0.8
593.33124	2.3
677.35602	12.9
678.35760	1.9
691.33197	1.3
720.04810	0.5
839.41101	100.0
840.41388	26.0
840.57861	1.0
843.69623	0.5
855.48175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.7
65.42669	0.3
65.85692	0.3
71.01383	8.4
71.73566	0.9
72.99326	1.3
74.42920	0.3
83.01419	0.5
85.02988	0.4
87.00900	0.9
89.02428	0.5
107.01395	1.0
108.02200	0.9
115.00388	22.4
119.05040	16.4
120.05401	0.8
121.24105	0.3
133.01445	65.9
134.01822	1.6
135.00923	0.4
148.01694	0.5
151.00357	3.9
163.00317	0.6
163.04024	17.5
163.05408	0.8
164.01250	0.4
164.04341	1.0
175.02415	0.4
178.99797	1.7
226.02635	0.9
227.03514	1.5
243.03001	5.8
244.03229	0.5
254.02136	1.8
255.02968	17.5
256.03394	1.3
271.02454	38.7
272.03015	3.6
279.05109	4.4
299.01993	1.4
300.02747	92.1
301.03207	9.9
342.08777	0.4
439.91864	0.4
609.14728	100.0
610.15063	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	889.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.6
71.01385	1.8
71.73669	0.4
71.87085	0.2
72.99341	0.2
83.01392	0.6
99.30767	0.2
107.01405	1.6
108.02176	0.6
109.02947	0.7
115.00381	4.5
119.05043	3.8
121.03006	0.9
125.02470	0.5
126.69069	0.2
133.01445	8.7
135.00922	0.4
148.01677	0.6
149.02550	0.3
151.00380	6.9
152.00772	0.2
163.00389	1.4
163.04031	4.5
163.37814	0.2
164.01035	0.3
164.04373	0.5
169.01443	0.6
175.02510	0.4
178.99881	3.8
187.04057	0.3
199.03978	0.3
203.03636	0.3
206.11244	0.2
211.03972	0.6
215.03600	0.2
226.02705	0.9
227.03467	1.4
229.05016	0.6
243.02977	4.7
244.03558	0.5
245.04485	0.6
254.02257	1.0
255.02969	13.6
256.03464	1.3
257.04630	0.3
265.08572	0.3
271.02457	29.9
272.02924	3.0
273.03897	0.6
279.05090	0.5
283.02448	0.6
299.02066	0.7
300.02750	60.9
301.03461	28.5
302.03772	1.7
327.08670	0.7
343.04596	0.3
609.14728	100.0
610.15063	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	875.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91152	0.2
69.89378	1.5
70.43983	0.2
71.01395	3.4
73.02959	2.2
80.05054	0.8
83.01387	0.9
85.02946	0.6
87.00874	0.7
89.02431	0.9
94.06656	0.4
95.01396	0.4
98.19934	0.4
101.02454	2.8
104.05058	0.5
106.06634	0.9
107.03734	0.3
108.04588	0.4
113.02496	1.1
115.00466	0.3
119.03484	0.3
120.04633	0.2
122.06148	2.0
123.08143	0.2
124.07681	0.8
130.03020	0.4
131.03584	0.4
132.04575	4.4
133.01512	0.3
134.03737	0.6
134.06126	0.6
146.02475	0.4
146.06088	0.2
147.03273	1.1
148.03993	0.7
149.04623	0.3
150.03252	0.3
150.05656	1.1
153.09213	0.3
158.02496	2.2
160.04079	3.4
161.04590	1.7
162.05684	1.2
164.03448	0.2
168.06606	0.4
172.11313	0.6
174.05605	0.6
175.02534	0.4
176.03563	3.5
176.07147	1.1
178.02783	0.3
180.06635	0.3
183.09245	0.4
184.07750	0.5
187.05164	0.3
190.05119	8.7
191.05580	1.0
192.06563	0.3
193.05075	0.2
196.11285	0.6
202.05205	0.3
204.03079	0.2
205.03430	0.3
205.12399	0.9
209.07234	0.4
211.06471	0.2
211.08684	0.6
211.12448	1.5
212.05849	0.7
212.10818	0.5
213.06715	0.5
213.10439	0.3
215.11914	1.6
220.02501	0.7
221.06717	0.3
223.04881	0.6
223.08772	1.0
224.07341	0.5
224.09535	4.0
225.06497	0.5
225.10083	0.4
226.07486	0.8
227.08301	1.6
234.04050	1.1
235.04900	0.2
237.10239	0.5
239.04610	0.4
239.08218	0.8
239.11920	8.5
240.10516	2.8
240.12527	0.6
241.09808	3.0
250.07483	0.7
251.08212	0.3
252.05354	0.6
253.06197	6.3
253.09995	0.5
254.06761	1.0
255.07713	1.3
255.11389	2.0
256.08521	0.8
265.09814	1.3
266.07224	0.4
267.07718	2.3
267.10852	0.5
268.08517	4.0
269.08780	0.4
279.07986	0.3
279.11523	0.3
281.09326	2.0
283.10895	30.7
284.11255	3.0
285.08850	0.3
287.10184	0.4
293.08978	0.4
294.06345	0.3
307.10892	0.6
309.08813	8.1
310.09140	0.7
311.06985	0.3
315.13544	1.0
321.08594	0.3
321.12344	0.3
327.09879	16.8
328.10248	1.6
341.11444	1.8
353.08072	0.5
359.12512	0.9
367.17532	0.7
371.08884	16.3
372.09039	1.7
372.17044	0.3
385.18756	0.5
403.11496	100.0
404.11813	11.9
412.16269	0.3
414.18008	0.3
427.19739	3.8
428.20071	0.6
440.16141	1.0
458.17282	1.1
467.12061	0.3
476.18579	0.5
494.87238	0.3
502.16226	0.6
526.21075	0.2
534.18549	0.4
683.99414	0.2
844.28131	3.0
876.31055	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	875.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.8
65.92279	0.3
71.73792	0.4
71.74200	0.5
72.18260	0.3
73.02959	1.3
74.40063	0.3
80.05065	7.6
80.21279	0.3
81.05424	0.4
83.01379	0.3
85.02968	0.4
89.02467	0.3
90.03561	0.3
94.06651	0.6
96.08185	0.4
96.95991	0.4
97.01682	0.3
101.02451	0.7
104.05073	5.1
106.06645	14.6
107.06962	0.6
108.04571	13.6
108.08221	0.5
113.02452	0.6
114.03518	0.3
115.00367	0.3
116.05022	0.3
118.02970	0.5
118.06667	0.6
120.04548	0.7
121.05373	1.5
122.06133	1.7
124.04051	0.5
124.06851	0.6
124.07699	7.0
127.05129	0.3
130.06627	1.9
132.04570	6.0
134.06131	4.4
136.07703	27.9
136.59863	0.3
137.08057	1.0
146.06152	0.6
147.03233	0.4
148.04068	6.0
150.05634	2.8
152.07216	1.5
158.02499	1.7
158.06133	0.9
160.04062	4.2
160.07707	8.3
161.04778	1.1
168.06834	1.9
171.09276	0.4
174.02019	0.4
174.05609	4.5
176.03523	1.4
178.05104	2.4
182.08498	0.5
183.09280	1.2
186.05666	0.4
187.06372	0.4
190.05176	1.6
195.09329	0.9
197.07199	0.9
197.10895	1.5
198.07872	0.3
199.12428	1.1
201.07925	0.5
202.05139	0.6
207.09332	0.9
208.06413	1.1
208.10022	0.5
209.07228	0.5
209.10829	0.4
210.08005	2.9
211.06874	0.4
211.08751	2.3
213.06828	0.4
213.10356	0.3
213.13876	0.6
214.08745	0.4
214.12413	1.2
216.13814	0.3
221.07141	0.7
221.10851	0.9
223.08778	8.4
223.12265	1.7
224.09573	9.9
225.10318	13.7
226.10698	1.1
227.08168	0.6
228.09094	0.6
229.13330	0.4
234.04068	0.7
234.07956	2.0
235.08723	2.4
236.05853	1.5
236.09271	0.4
237.06769	1.9
237.10321	6.4
238.08772	0.6
238.10896	1.2
239.08206	1.2
239.11880	10.8
240.12302	0.7
241.09804	2.3
242.10539	1.1
243.11325	0.5
247.08791	0.9
248.09514	1.0
249.06635	1.2
249.10320	8.2
250.07478	5.7
250.10863	0.8
251.08240	17.5
252.08765	2.5
253.09692	0.9
255.11389	4.3
256.12009	1.1
257.12955	81.5
258.13248	5.7
263.08252	1.6
264.08890	0.6
265.07541	0.3
265.09799	20.0
266.10431	2.9
267.11368	34.8
268.08939	0.5
268.11661	2.5
269.09332	1.2
270.09967	0.4
275.08286	0.5
277.09921	0.7
280.08142	0.3
281.09525	0.7
281.13022	2.0
283.10922	1.0
285.12372	0.8
291.07785	0.9
292.08362	0.5
293.09329	19.3
294.09744	2.0
295.07553	0.5
295.10867	4.1
299.10321	0.9
299.13889	0.5
301.11871	1.0
307.10806	0.6
309.08820	1.3
309.12152	0.4
310.09433	0.8
311.10373	16.5
312.10770	1.3
325.12064	3.5
337.08206	0.8
338.16867	0.3
346.15582	0.4
353.11377	0.9
355.09363	4.6
356.09714	0.5
364.16574	0.9
368.14081	0.5
370.15558	0.6
376.16473	0.5
387.11890	0.9
390.18250	3.2
392.19867	1.8
402.18188	0.8
414.14667	0.6
418.17715	2.0
436.18799	40.6
437.19113	6.0
442.18185	0.5
444.20007	2.0
467.20767	1.3
481.22342	0.5
483.24020	6.5
484.24384	1.3
489.23029	1.7
491.20996	1.9
507.24554	0.6
509.21896	2.3
520.20917	0.4
522.19604	0.4
523.23267	0.5
527.23071	0.7
533.22064	2.4
534.22137	0.9
535.20026	1.3
549.21429	5.7
550.21600	0.9
551.22925	9.7
552.23389	1.9
577.21002	6.0
578.21393	0.7
595.22015	36.9
596.22241	6.4
621.20117	2.6
622.20508	0.5
627.24860	3.0
637.22656	0.6
639.21100	30.7
640.21356	6.1
653.22662	1.0
671.23676	100.0
672.23999	21.2
681.22675	0.7
713.24811	1.2
799.28546	10.0
800.28857	2.7
843.27667	27.9
844.28070	7.6
875.30249	29.1
876.30518	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	871.437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.1
62.35423	0.6
69.03474	0.8
71.01388	100.0
71.05054	0.6
71.72433	1.2
72.01730	2.0
72.99313	0.7
73.02956	3.3
78.95912	1.7
83.01401	5.0
85.02969	4.2
86.51985	0.7
87.00904	0.7
87.04533	2.7
89.02463	3.7
89.06087	4.3
95.01379	0.9
96.96036	2.4
97.02972	1.0
99.00919	1.2
101.02453	3.8
112.01729	1.1
113.02465	5.6
115.00405	0.8
116.92906	1.5
121.02975	11.1
125.02475	1.4
133.01466	1.0
134.03748	1.4
143.03499	1.8
161.02451	0.7
165.01950	1.7
175.02489	1.1
219.06662	1.2
221.08258	2.3
233.10291	5.4
237.07768	3.9
291.08716	12.9
292.09106	1.1
329.23325	2.5
355.03125	0.7
376.69440	0.6
381.11905	45.5
382.12280	5.2
423.12970	19.6
424.13437	2.6
442.59903	0.8
470.30914	0.7
611.28723	0.7
746.26758	0.7
871.44489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76705	0.2
67.17856	0.2
69.03458	0.3
69.42736	2.4
71.01388	19.0
72.01718	0.3
72.99321	1.3
73.02951	7.9
75.00880	0.5
83.01397	2.9
83.05027	2.4
85.02958	4.5
87.00883	0.7
89.02453	13.1
91.05537	0.7
93.07091	1.5
95.01407	0.8
97.02976	0.3
98.20575	0.6
99.00925	0.4
99.04530	0.3
99.59785	0.3
101.02454	15.9
101.49780	0.2
113.02457	6.8
114.02814	0.3
115.00393	1.1
116.81807	0.3
119.03520	5.2
119.05026	1.2
123.08252	0.5
125.02415	0.4
131.03508	1.2
133.01442	1.0
133.06656	0.3
133.10252	2.3
135.04494	0.4
143.03532	1.7
144.05827	0.5
145.06592	2.5
146.06966	0.3
147.08153	0.5
149.04591	2.6
152.08434	0.3
153.09245	1.8
155.03458	0.3
157.10222	1.2
158.07411	0.4
159.08157	2.6
160.08955	25.7
161.04575	4.6
161.09285	1.4
168.06779	0.2
173.09723	4.4
175.02486	0.5
175.11296	48.6
176.11670	3.3
179.03633	0.5
179.05611	0.9
203.05692	0.8
205.12329	2.7
219.10260	30.7
220.10602	2.0
221.06682	2.9
222.07047	0.3
223.13379	0.7
267.11499	0.3
285.55051	0.2
359.42972	0.3
367.17654	1.9
385.18878	0.8
399.16611	100.0
400.16953	9.0
400.20950	0.2
427.19720	9.4
428.20099	1.0
512.15723	0.3
725.24573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.385
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	2.0
69.03455	2.6
69.84988	2.4
69.85404	1.4
71.01387	51.6
71.05871	0.6
72.01724	1.3
72.99306	2.1
73.02953	56.6
73.18295	0.5
74.03280	0.9
75.00868	0.8
79.87878	0.6
81.03466	0.7
83.01395	15.9
83.05028	0.6
85.02962	9.6
87.00889	1.4
89.02454	13.2
95.01405	2.9
95.05052	0.7
97.02968	3.7
99.00902	1.7
101.02456	48.9
102.02791	1.2
108.05829	0.9
113.02457	23.1
113.06123	1.8
115.00378	1.2
116.92873	1.5
119.03519	8.2
122.03729	0.8
123.08186	2.7
125.02457	2.6
125.06094	1.5
126.52081	0.6
131.03532	4.9
133.01477	1.4
134.03706	0.7
135.08231	1.0
136.05312	2.6
138.06897	11.8
139.07692	4.0
143.03510	6.0
147.08209	1.1
149.04578	12.8
151.06528	0.9
151.07660	9.5
152.04825	1.0
152.08458	17.1
153.09236	65.2
154.09576	3.4
155.03453	1.5
160.08682	0.6
161.04576	25.6
161.09711	1.2
163.11264	2.0
165.09235	2.2
167.07112	0.8
174.10667	0.7
175.02530	0.8
179.05563	1.6
179.10834	1.7
187.11264	2.9
189.09206	0.9
190.09987	1.8
193.05139	1.0
203.05621	5.5
203.10899	0.7
205.12337	31.8
206.12666	3.4
213.71156	0.6
221.06677	12.0
223.13393	24.9
224.13754	2.4
276.81454	0.6
321.26828	0.5
330.14291	1.1
367.17606	26.2
368.17892	3.1
385.18719	10.9
386.19110	1.6
409.17175	0.7
427.19730	100.0
428.20087	14.0
470.90854	0.6
485.94016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01702	1.4
61.98845	5.6
69.03459	6.3
71.01386	76.9
71.05015	2.8
72.99326	6.1
73.02954	19.6
78.95901	1.1
81.03466	3.5
83.01391	16.3
83.05052	1.5
84.02209	1.3
85.02960	40.3
86.00099	1.8
86.96922	1.2
87.00884	15.6
87.04491	1.5
89.02454	25.8
94.79759	1.1
95.01401	9.3
96.96034	2.0
97.02949	6.6
98.20643	2.2
99.00885	6.7
101.02462	38.6
106.06618	1.1
111.00906	3.0
112.01704	2.4
113.02467	43.4
114.02819	1.4
115.00386	12.1
119.03509	7.2
119.04973	1.1
124.01701	3.9
125.02457	17.2
131.03548	1.8
133.01430	3.8
135.04529	1.6
137.09700	1.8
143.03535	9.3
149.04561	1.9
159.03020	1.2
160.07578	1.3
161.04527	6.1
171.13937	2.7
175.02507	18.2
176.07130	1.3
179.05627	2.7
229.51120	1.6
236.63637	1.4
237.18510	3.0
251.20146	4.9
253.21597	2.1
271.22812	5.3
286.09659	1.1
289.13474	1.2
295.22836	1.8
341.26886	1.9
359.28012	13.0
360.28256	1.4
425.14514	2.5
468.10876	1.2
485.31165	4.2
503.32251	17.4
504.32806	2.4
521.33331	16.7
522.33765	1.8
563.34192	12.5
564.34979	2.0
579.09949	1.3
611.34692	1.6
629.35413	2.4
647.36566	76.3
648.36835	12.0
665.37659	100.0
666.37988	15.3
683.38733	21.6
684.39441	3.1
693.28149	1.9
707.38782	53.3
708.38977	10.3
725.26868	2.6
725.39862	48.7
726.39722	8.7
767.40790	12.5
768.40881	2.1
855.32922	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	855.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	1.4
61.98824	1.9
66.98518	0.5
67.01889	0.6
68.99819	1.2
69.03456	6.4
69.73785	0.5
70.02991	0.6
71.01386	56.1
71.05047	1.2
71.72377	0.9
71.72778	0.8
72.01716	0.8
72.99314	4.5
73.02954	12.8
75.00866	1.8
78.95917	0.6
81.03462	2.6
83.01395	10.7
83.05019	1.1
84.02193	0.6
84.39070	0.6
85.02960	31.3
86.00130	1.0
86.03300	0.6
87.00880	9.8
89.02457	10.7
89.74731	0.6
95.01400	8.0
96.95988	0.9
97.02952	9.4
97.06585	0.7
98.03261	0.7
99.00893	7.2
99.04542	0.7
101.02457	30.6
102.02757	0.7
111.00887	5.5
111.04451	0.6
111.08148	1.2
112.01704	2.9
113.02467	32.0
113.99738	0.6
115.00359	3.0
115.03982	1.2
115.95625	0.6
119.03520	4.1
123.04598	0.9
124.01674	5.4
125.02470	18.1
127.03964	0.9
127.11288	1.8
129.01979	1.4
131.03606	0.7
133.01389	1.4
135.04530	1.5
137.09752	3.7
139.00414	0.9
142.02739	0.9
143.03525	7.4
153.12904	1.2
155.10814	5.8
157.12366	3.0
159.03015	2.0
161.04593	3.2
174.01695	0.7
175.02547	4.6
179.05740	0.8
183.13919	1.3
199.18016	0.5
201.14970	8.6
202.15158	0.6
229.14452	1.3
230.15225	4.1
231.15523	0.7
313.24030	1.0
329.26999	1.3
330.16916	0.7
341.26941	1.7
357.26355	1.1
359.28040	22.5
360.28369	2.4
374.19302	0.8
392.20511	1.1
425.14703	1.9
473.30716	0.9
485.31345	1.4
501.30856	0.9
503.32230	16.6
504.32623	2.5
521.33313	11.4
522.33508	1.9
545.33435	0.7
563.34253	1.6
587.34125	1.2
599.25488	0.8
599.34436	1.6
611.34564	3.3
617.35553	1.3
629.35645	3.1
647.36609	82.2
648.36932	16.6
665.37610	100.0
666.38007	19.0
666.46606	0.4
683.38696	20.0
684.39142	3.5
689.37793	2.0
707.38770	50.6
708.39020	10.0
725.39856	49.6
726.40222	9.9
759.15222	0.8
767.40851	10.2
768.41168	2.6
855.32397	1.3
856.32880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01709	2.5
61.98790	0.8
69.03454	3.9
69.39598	6.3
69.40031	2.9
71.01387	87.9
72.01714	1.8
72.99307	5.0
73.02953	77.9
74.03307	1.4
75.00888	1.0
79.25672	0.8
81.03463	0.9
83.01393	24.7
85.02959	21.3
87.00902	3.9
88.31443	1.0
89.02454	25.6
93.03499	1.2
95.01406	8.0
97.02981	2.4
99.00918	2.6
99.04552	1.5
99.44646	0.7
101.02456	75.7
102.02844	1.2
108.02187	3.2
108.08195	1.5
109.02998	5.6
113.02461	50.4
114.02812	1.6
115.00386	2.0
119.03520	13.6
120.40747	0.8
121.02974	4.9
122.03774	2.5
123.04511	5.1
124.01715	1.6
125.02457	4.4
131.03531	8.5
133.01445	2.4
135.04539	1.7
143.03534	12.5
147.04518	1.0
149.04578	14.6
149.05811	1.2
151.04056	1.0
152.07234	1.7
155.03510	2.4
158.03796	1.4
159.04552	6.2
160.05307	16.2
161.04578	29.9
161.06032	3.0
162.03278	0.8
162.04948	0.9
171.04506	0.8
172.05325	9.5
173.06067	6.8
174.06822	1.2
175.03897	1.4
175.07654	6.9
175.47261	0.8
177.05472	1.0
179.03433	1.1
179.04190	1.0
179.05598	7.0
187.07677	3.7
189.05591	16.4
190.06396	16.5
191.06831	1.2
202.06281	1.3
203.05632	6.0
203.07190	1.3
204.08014	1.3
205.08699	23.1
221.06705	10.9
230.06671	1.0
281.08163	5.0
282.35260	0.8
295.09875	2.6
296.10464	9.6
308.10492	1.6
310.08405	1.3
311.09311	1.2
311.12903	19.6
312.13098	1.5
323.12854	1.9
326.11523	2.9
327.08701	2.7
329.13913	6.0
341.13950	65.4
342.14255	6.7
385.18262	0.8
458.98627	0.9
503.19214	100.0
504.19537	13.3
521.20300	21.2
521.27307	0.8
522.20624	1.9
540.03259	0.8
545.20221	25.4
546.20459	4.2
546.35126	0.8
562.17847	2.0
563.21417	70.8
564.21838	8.8
605.22327	5.8
647.23499	3.0
707.25806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92683	0.5
69.74780	0.4
70.90832	0.5
71.01387	15.4
71.32043	1.3
71.75728	0.5
76.90942	0.4
76.97355	0.4
93.03483	2.2
94.03786	0.5
101.02502	0.5
114.03281	0.5
115.00385	18.1
116.00770	0.6
117.03432	0.5
119.05044	25.9
120.05395	1.4
121.02985	0.7
127.05096	0.6
132.05803	0.5
133.00443	0.9
133.01451	15.9
134.01712	0.6
135.04546	2.4
143.05009	1.6
145.02925	0.6
145.06674	0.9
149.19130	0.5
157.98645	0.5
160.05287	0.7
163.04024	15.7
164.04346	1.2
175.02553	0.7
176.04741	0.5
177.05626	0.8
179.03481	3.2
195.04491	0.7
201.07851	0.4
209.06126	0.5
214.73941	0.5
223.07681	0.8
224.08310	0.5
237.09215	8.0
237.62318	0.5
238.09514	0.5
239.10812	4.5
248.54085	0.5
253.08632	0.8
265.08658	1.2
283.09763	17.9
284.10156	1.1
295.04706	0.5
309.07690	1.2
327.08737	100.0
328.09088	11.1
329.13852	2.7
425.08862	0.7
428.16428	0.5
443.09814	21.8
444.10263	4.1
559.10889	2.1
559.27008	0.9
640.94666	0.5
818.68835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01720	4.3
61.98833	1.8
66.15393	1.1
68.01411	3.5
69.03456	3.4
71.01388	93.9
71.71838	1.6
72.01731	1.9
72.99316	4.9
73.02953	93.3
74.03294	2.0
75.00873	1.2
75.23637	1.2
78.62745	1.1
81.03477	2.2
83.01397	30.7
83.01876	2.2
83.05053	1.1
83.37922	1.2
85.02956	18.9
87.00880	5.0
89.02460	24.0
95.01402	4.4
96.95992	1.5
97.02973	5.1
99.00909	4.2
101.02457	100.0
102.02827	1.3
106.06657	1.8
110.02490	2.2
113.02467	47.3
113.06076	1.4
115.00397	2.3
119.03522	16.5
119.04963	1.7
123.08175	3.5
125.02465	4.9
129.01933	1.6
131.03496	7.5
135.04575	2.5
135.08167	3.1
136.02592	1.4
138.06863	7.2
139.07611	1.8
143.03505	13.7
147.02921	1.1
147.04533	8.7
147.08159	1.9
149.04576	23.3
150.05692	2.0
151.07655	5.7
152.07404	1.2
152.08473	6.9
153.09235	55.5
154.09557	2.8
155.03516	1.9
161.04591	46.7
161.05873	2.2
161.09761	2.1
162.04950	1.6
163.11339	2.2
164.07198	1.4
165.09180	1.4
175.02515	2.1
179.05605	3.5
179.07159	1.3
181.01395	1.5
187.11327	4.4
190.10020	1.4
195.06786	2.3
196.03703	1.7
197.04161	1.5
203.05652	9.4
203.10732	1.8
205.12335	40.1
206.12674	2.4
211.06215	2.2
221.06665	21.3
222.06947	1.2
223.13416	17.9
230.06696	10.6
276.08752	4.0
333.73206	1.4
336.10782	4.0
347.92645	1.2
364.18625	1.4
367.17609	27.6
368.17969	3.9
385.18689	10.9
386.19138	1.9
427.19736	90.7
428.20032	11.2
446.19464	1.3
730.72418	1.4
852.30109	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	850.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.9
61.98823	1.9
69.03452	1.5
69.31676	0.4
69.72875	3.8
71.01386	51.6
71.04630	0.6
71.05026	12.9
72.01718	1.1
72.99307	3.7
73.02948	9.6
75.00875	1.1
81.03466	0.5
83.01392	6.2
85.02438	0.9
85.02958	18.3
85.06590	3.2
86.00079	1.5
87.00881	10.8
89.02454	34.7
90.02782	0.9
95.01405	5.2
96.96028	1.6
97.02952	1.9
99.00888	4.3
101.02454	30.0
106.06648	0.6
111.00915	0.6
113.02464	34.6
113.06081	2.7
114.02788	1.2
114.09277	2.5
115.00388	2.3
116.10802	0.5
116.92905	0.5
119.03520	12.4
125.02448	2.9
125.09765	0.8
128.03670	0.5
129.01967	0.8
131.03517	13.5
131.04459	1.0
131.07158	9.7
139.00368	0.9
143.03517	7.1
143.10794	14.0
144.11151	1.0
149.04575	1.2
155.03537	0.6
159.03020	3.2
161.04578	25.3
165.12830	0.6
167.14435	30.0
168.14763	1.9
174.11363	2.4
175.02527	2.6
179.05624	32.5
180.06007	1.2
185.11853	9.0
191.14366	0.8
197.15425	0.9
203.05615	1.8
205.03404	0.7
209.15479	1.7
210.15031	0.8
211.13394	31.9
212.13768	2.2
219.95383	0.4
221.06665	49.5
222.07033	2.0
223.17000	0.5
224.09407	0.5
225.14961	0.5
227.16333	0.6
228.16013	3.6
229.14439	73.8
230.14734	4.2
241.18085	13.5
242.18373	1.2
243.16032	3.8
253.14458	4.6
254.17570	1.6
257.12863	0.6
263.07684	16.4
265.09705	1.1
265.18112	3.0
267.11493	0.7
271.15405	2.4
272.18631	5.8
281.21240	2.4
283.19110	6.4
290.21469	0.6
296.18585	0.6
297.20898	0.6
298.35754	0.5
299.22278	1.2
307.19159	1.7
308.22336	2.8
325.20285	1.5
326.23367	9.9
327.23550	1.0
350.23245	1.6
415.19708	16.0
416.20129	1.8
422.29254	5.4
423.29376	1.0
433.20782	12.5
434.21243	1.0
440.30161	100.0
441.30521	12.6
464.30411	3.8
465.31036	0.6
482.31155	8.4
483.31305	1.4
487.25378	1.2
512.32397	0.6
577.25409	2.3
587.30969	0.5
595.25659	1.8
639.21399	1.0
644.36438	0.9
671.23175	1.1
818.25348	0.6
851.29840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	44.8
61.98849	2.6
69.03447	1.0
70.88786	1.1
71.01387	52.1
71.05024	21.3
72.01713	0.9
72.99325	2.9
73.02952	9.8
75.00880	1.0
83.01387	4.9
84.02195	0.5
85.02956	19.9
86.00114	1.6
86.34263	0.6
87.00881	9.2
89.02459	34.3
95.01412	5.7
96.08221	0.7
96.96022	1.0
97.02953	1.8
99.00883	3.8
99.78034	0.5
101.02457	30.0
110.80982	0.5
111.00895	1.0
111.08203	0.6
113.02465	33.1
113.06101	2.3
114.02794	0.8
114.09262	2.1
115.00380	3.1
116.92836	0.6
119.03519	10.7
120.01270	0.6
125.02469	3.0
125.09724	0.8
129.01997	0.8
131.03516	13.3
131.07207	0.7
132.04657	0.8
133.01440	0.6
143.03519	6.7
143.10796	24.0
144.41284	0.5
149.04584	1.3
159.03001	2.1
161.04579	23.1
161.18274	0.6
165.12833	0.7
167.14435	32.1
168.14767	1.4
175.02493	3.9
179.05634	32.1
180.06012	0.6
185.11847	18.7
186.12196	1.5
203.05623	1.6
209.15453	1.6
210.15021	0.6
211.13411	30.3
212.13785	2.0
221.06676	39.2
222.07018	2.0
225.15025	0.6
226.17958	0.6
228.16043	6.2
229.14449	78.1
230.14801	5.3
237.10234	0.6
239.16512	0.7
243.16048	5.5
253.14439	5.4
254.15155	0.8
254.17632	4.8
257.61835	0.5
263.07718	19.4
264.08020	1.2
265.14453	0.8
271.15302	1.0
272.15848	1.0
272.18661	12.0
281.21338	2.6
299.22324	0.9
305.08871	0.9
321.55869	0.6
325.20132	0.7
326.23352	5.4
415.19730	20.9
415.25287	1.1
416.19998	1.4
422.29211	5.1
425.14508	0.8
433.20813	16.1
434.20996	1.1
440.30173	100.0
441.30515	12.8
454.31683	0.7
464.30151	4.3
482.31290	8.2
483.31332	1.1
512.32367	1.0
577.25232	2.6
595.26440	2.5
602.35748	1.0
644.36688	1.2
819.27716	1.0
851.29364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
60.99312	2.8
63.16990	0.4
65.00318	0.8
69.91935	2.2
71.01398	1.5
72.99293	0.4
73.02924	0.4
83.01412	0.6
85.02927	0.5
88.98817	9.6
89.02423	0.4
91.01904	0.4
101.02475	0.8
107.01411	1.3
108.02198	1.5
113.02470	0.6
115.00375	0.6
121.03033	0.5
133.01440	1.5
134.03746	0.4
135.00887	0.8
148.01695	1.0
151.00386	5.0
163.00394	0.7
163.04138	0.5
163.31566	0.3
164.01244	0.6
177.02016	0.5
178.99887	4.3
179.03459	0.4
190.99869	0.4
192.04103	0.4
193.05042	1.1
198.03340	0.4
199.03957	0.4
211.03954	0.6
226.02669	1.2
227.03534	2.1
243.02986	8.7
244.03416	1.3
254.02219	1.6
255.02974	24.6
256.03375	2.0
265.60242	0.3
271.02460	53.5
272.02930	4.9
299.02014	2.5
300.02753	100.0
301.03253	12.4
339.68958	0.3
343.04526	0.4
598.96460	0.4
755.20697	70.9
756.21014	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	849.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
71.01385	17.5
72.01716	0.2
72.99316	1.1
73.02969	0.3
73.29530	0.2
84.68925	0.2
85.02950	0.2
87.00907	0.3
88.95708	0.2
89.02460	1.1
93.03471	0.4
101.02454	0.3
107.56230	0.2
115.00385	23.3
116.00720	0.5
117.03510	0.2
119.05041	49.1
120.05384	1.9
120.31444	0.2
133.01448	64.2
134.01797	1.5
134.03741	0.9
135.04594	0.4
139.17455	0.2
163.04024	100.0
164.04353	4.7
179.03476	0.3
192.63792	0.2
193.05045	1.5
194.05382	0.5
231.19234	0.2
233.53613	0.2
262.88205	0.2
275.24670	0.2
279.05081	7.4
280.05511	0.5
295.76074	0.2
446.97589	0.2
563.63367	0.2
582.22565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.13296	0.9
60.01721	1.5
61.98840	6.8
62.36671	0.8
67.01877	1.0
69.03462	3.3
71.01386	39.2
71.05000	1.2
71.34951	0.8
72.99323	3.1
73.02954	10.5
81.03469	2.4
83.01405	9.4
85.02964	18.5
86.00097	1.0
86.03326	1.1
87.00890	5.8
89.02438	5.6
95.01395	5.5
96.96019	1.6
97.02959	7.2
99.00886	5.2
99.04518	1.0
101.02458	23.3
109.06580	0.9
109.65576	0.9
111.00891	3.6
112.01685	2.0
113.02465	22.8
115.00388	2.4
119.03513	2.7
119.05022	1.9
124.01674	3.5
125.02467	12.6
129.01996	0.9
133.01460	1.9
135.04639	1.1
143.03542	5.6
149.02519	1.0
149.04465	1.2
159.03036	1.0
161.04588	3.5
161.70656	0.9
163.04074	1.1
165.05701	1.0
174.01807	1.1
175.02493	1.8
189.81239	0.9
194.39268	1.0
197.15559	1.2
230.23254	1.4
297.24402	3.8
311.85199	0.9
327.08719	2.0
343.28503	10.3
344.28973	1.5
477.12262	0.9
487.32764	8.3
488.33093	1.6
505.33661	6.1
506.33798	1.8
583.35260	1.1
595.35126	1.0
613.36102	2.1
631.37048	38.7
632.37610	7.7
649.38153	69.6
650.38446	13.8
667.39178	18.9
667.74854	0.9
668.39441	3.5
691.39276	23.7
692.39404	5.1
709.40393	33.2
710.40552	7.8
751.41388	4.7
752.42419	1.1
809.94513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98825	4.6
62.78088	0.7
69.03454	3.1
71.01389	37.0
71.74129	1.5
72.01720	1.1
72.99306	2.3
73.02947	8.5
79.96384	0.7
81.03468	1.8
83.01394	8.5
85.02962	20.7
87.00880	5.4
89.02457	7.0
95.01404	4.7
96.96024	1.5
97.02982	3.9
99.00880	4.7
101.02457	20.5
111.00908	2.1
112.01719	1.8
113.02464	21.9
114.02820	0.9
115.00391	2.3
116.92876	0.9
119.03522	2.3
120.01266	0.8
124.01682	2.3
125.02476	12.0
135.04462	0.7
141.01901	1.1
143.03534	6.3
159.03026	1.1
161.04562	3.3
171.13937	2.0
172.07130	0.7
173.04565	0.7
175.02521	1.8
179.05609	1.9
203.73001	0.7
299.25952	3.1
327.28751	0.8
345.30087	7.3
346.30469	0.8
489.34259	9.6
490.34811	1.1
507.35355	7.6
597.36322	1.3
615.37494	1.8
633.38702	38.1
634.38995	5.7
645.39978	0.9
651.39716	52.8
652.40161	10.1
669.40747	14.1
670.40887	3.1
693.40826	26.7
694.40692	5.0
707.35168	1.2
711.41956	31.5
712.42377	5.6
753.43298	5.7
754.44348	1.2
833.97406	0.9
841.44580	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	837.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98820	1.8
62.30882	0.4
63.96236	1.9
69.03449	0.9
70.01536	2.7
71.01386	11.5
72.99321	0.4
73.02957	2.2
78.98594	8.6
79.26530	0.4
79.95265	0.7
79.95741	18.2
80.96522	100.0
81.03479	0.7
85.02953	3.6
87.00883	4.0
94.98094	23.3
96.96021	1.6
97.02959	1.9
99.00864	0.8
100.15022	0.5
101.02433	3.3
106.98102	4.3
119.48790	0.4
120.99694	0.4
122.97591	6.5
125.02452	4.0
127.04031	1.1
128.09401	0.4
134.97589	6.7
136.99162	2.0
148.99153	8.4
151.97774	0.4
152.98653	7.8
164.98656	16.3
182.99866	0.4
206.99673	3.5
225.00737	19.3
226.01151	0.7
277.21747	2.3
283.04791	0.5
559.25806	2.8
802.75629	0.5
837.48633	84.0
838.48993	24.8
838.66028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.3
59.01380	43.5
61.98832	0.9
62.83855	0.3
68.99809	0.4
69.03450	2.0
70.47217	0.3
71.01385	50.7
72.01731	0.9
72.99310	3.7
73.02537	0.4
73.02951	9.1
73.29095	0.3
75.00882	0.9
76.87356	0.3
81.03471	1.5
83.01395	7.5
83.01874	0.5
85.02959	12.4
85.70878	0.3
86.00124	1.3
86.03318	0.3
87.00883	15.5
89.02453	38.0
90.02799	0.4
91.04034	0.4
95.01404	4.1
97.02966	5.6
99.00909	2.0
99.04533	0.3
101.02457	41.5
102.02799	1.1
103.04027	0.6
104.98718	0.4
109.02968	0.3
111.00916	1.5
113.02465	23.6
114.02771	0.5
117.56683	0.3
119.03515	7.9
120.03873	0.4
121.02950	0.4
123.00863	0.4
123.04499	0.4
125.02461	14.0
127.04032	0.7
129.02037	0.5
131.03519	7.0
133.05052	1.1
139.04063	0.5
141.01990	0.8
143.03519	6.4
145.05078	1.0
149.02634	0.3
149.04561	1.1
161.04573	13.8
162.04869	0.4
167.03522	0.8
179.05626	10.5
179.07188	0.5
203.05635	1.5
221.06671	5.5
221.10002	0.3
233.06819	0.5
235.08200	5.7
245.06694	1.1
253.09250	8.7
253.11771	0.6
254.09744	0.5
263.07773	1.6
277.21725	26.3
278.22040	2.9
287.07703	0.9
291.23346	0.4
295.10297	0.4
305.08658	2.0
323.09830	3.4
341.10898	0.7
356.20200	0.3
365.10852	0.4
379.12634	1.7
383.11664	1.6
397.13516	39.7
398.13873	3.4
415.14551	17.0
416.14926	1.2
439.14645	1.4
457.15750	0.5
485.14960	1.8
523.16095	0.3
526.94061	0.4
541.17621	0.5
559.18848	100.0
560.19171	12.2
577.19904	34.0
577.29236	0.7
578.20221	3.9
675.36523	1.6
676.37091	0.6
837.41534	5.3
838.42297	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	836.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98541	0.1
65.11610	0.1
70.25671	0.2
72.45087	0.1
98.19946	0.1
117.07772	0.0
158.54764	0.1
162.85902	0.0
231.72498	0.0
245.00726	0.1
247.53746	0.0
278.22101	0.1
324.86798	0.1
720.72656	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	837.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.0
59.01377	47.1
60.01717	0.6
61.98819	0.5
67.01880	0.3
68.99804	0.5
69.03459	2.4
71.01383	56.3
72.01733	0.9
72.99316	4.2
73.02948	11.3
75.00875	0.8
81.03453	1.8
83.01390	7.7
85.02959	12.6
86.00097	1.4
86.03293	0.4
87.00471	0.2
87.00882	15.3
89.02450	41.2
91.04035	0.6
91.54041	0.3
93.23043	0.3
95.01397	3.9
97.02961	5.6
98.19818	0.7
99.00890	2.3
99.04536	0.7
101.02454	45.0
102.02808	0.8
102.47665	0.3
103.04017	0.8
103.08217	0.3
109.02966	0.7
111.00906	1.1
111.04541	0.6
113.02458	26.1
114.02792	0.8
115.04018	0.4
117.00159	0.3
119.03516	8.9
123.04553	0.4
124.01703	0.4
125.02457	15.0
126.02757	0.4
127.04011	0.5
129.01888	0.5
131.03523	6.0
133.05089	1.0
137.02454	0.6
139.00375	0.3
139.04053	0.8
141.01945	0.5
143.03510	6.2
145.05095	0.9
149.02470	0.4
149.04588	1.2
161.04568	13.9
167.03456	0.6
179.03371	0.4
179.05627	10.6
180.05933	0.3
181.05334	0.3
199.05908	0.4
202.37103	0.3
203.03979	0.3
203.05554	1.6
217.07100	0.4
221.06665	5.7
229.67192	0.4
233.06958	0.3
235.08238	5.7
245.06757	0.8
253.06601	0.5
253.09256	8.3
253.11757	0.6
254.09618	0.5
263.07700	2.0
277.21716	27.5
278.22089	2.9
287.07767	1.0
295.10291	0.5
305.08795	1.9
323.09830	3.9
325.52487	0.3
365.10944	0.6
379.12479	1.4
383.11993	1.4
397.13513	40.8
398.13898	3.1
415.14575	18.4
416.14761	1.6
425.12930	0.4
439.14520	1.0
449.12869	0.7
467.14264	0.5
485.15097	1.8
541.17828	1.1
559.18817	100.0
560.19147	12.2
577.19891	33.0
577.29358	0.6
578.20355	3.8
630.90930	0.3
675.36249	1.5
766.27057	0.3
837.41431	4.8
838.40991	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	835.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.4
61.98808	4.8
65.99839	5.1
66.03497	1.7
71.01386	28.3
71.72523	2.2
72.99319	2.6
73.02942	6.4
75.00880	2.7
78.95912	4.4
80.05067	2.6
83.01385	4.2
85.02960	9.0
87.00883	24.0
87.28239	1.5
89.02462	6.8
90.03539	2.2
96.96038	1.9
97.02982	1.7
99.00903	2.2
101.02457	10.8
101.39046	1.7
106.06647	10.2
108.04578	16.2
111.04534	1.6
113.02471	20.7
115.00385	26.0
119.03538	2.5
120.04575	2.7
122.06083	2.7
123.04475	1.6
124.07697	9.2
125.02409	3.9
131.03519	2.1
131.33049	1.9
132.04553	7.1
133.01506	2.1
134.02440	3.2
134.06171	3.4
135.03043	2.1
135.04500	2.1
136.04047	2.4
136.07706	35.7
144.08066	1.8
146.06096	1.8
147.03178	2.8
150.05594	4.7
157.07724	1.6
158.06094	3.8
160.04062	2.8
160.07695	6.4
161.04601	2.4
162.05566	4.3
163.04041	2.0
168.06779	1.9
174.05583	4.4
175.02487	47.7
179.05580	2.5
185.07205	3.9
186.05603	2.6
187.06210	2.1
188.03546	2.9
188.07130	2.7
190.05107	3.3
199.08769	2.6
200.03525	2.0
203.05603	4.5
211.08815	1.7
212.07265	2.7
213.06540	2.6
213.13895	2.0
216.06673	2.1
225.06664	2.9
225.10300	1.9
226.07379	3.0
227.06125	2.4
227.08273	29.8
227.11771	2.2
228.08752	5.4
229.01086	1.7
229.09830	5.4
237.10229	2.9
238.08746	2.7
239.08322	5.9
239.11841	4.0
240.10400	3.3
241.09810	14.6
242.10295	3.1
251.08282	2.7
251.11858	5.1
253.09834	5.9
254.10469	2.7
255.07706	4.6
255.11371	18.7
256.12109	2.6
257.12973	100.0
258.13278	8.9
263.08167	2.4
264.08936	4.5
265.09796	6.6
267.07693	3.8
267.11368	6.1
269.12766	1.9
270.11295	1.7
273.08777	1.9
276.09106	1.7
277.09671	3.6
279.08023	3.8
279.11359	15.6
280.09634	3.8
281.09302	22.8
281.12677	3.8
282.10043	17.2
283.10873	12.9
284.11267	2.8
285.12418	3.0
291.11453	4.6
292.08401	2.7
293.09225	5.8
293.12451	2.0
294.09860	2.3
295.10892	13.0
296.11505	2.4
297.12436	39.3
298.12903	2.1
299.10422	4.0
300.13647	2.6
301.12088	2.8
305.09372	2.2
307.07477	2.9
307.10913	5.6
308.11407	2.6
309.09045	2.8
309.12439	13.3
311.10278	2.0
313.11844	3.1
323.10287	10.1
325.12180	2.8
333.12552	4.6
335.10373	7.1
341.11450	6.8
351.13467	3.1
353.11624	7.5
359.10422	2.9
369.14392	2.0
377.11081	1.9
395.12314	3.4
402.17792	2.3
431.18317	2.2
436.18771	9.0
444.18939	4.2
446.20941	2.1
483.20270	2.1
483.29373	2.1
511.19925	8.2
512.20410	10.1
513.20862	2.9
539.22681	4.2
551.22711	2.0
563.22797	3.7
567.22308	7.8
579.22345	3.0
581.24078	41.0
582.23993	6.1
583.21887	6.6
593.24048	16.2
594.24274	3.9
597.23578	2.5
599.25531	4.1
607.22034	6.0
611.21643	7.9
612.22485	2.8
615.24817	14.7
616.24707	2.1
619.21948	2.6
625.13470	2.9
625.23218	29.3
626.23456	5.3
627.21027	3.3
635.25299	6.9
636.24719	2.3
637.23004	16.9
638.23291	4.6
641.22717	4.3
642.23828	1.9
643.24237	43.5
644.24194	11.3
645.34973	4.4
653.25916	10.6
654.25897	2.9
655.23749	2.2
657.25836	14.3
658.25702	4.3
659.24628	2.7
661.23230	5.2
663.35175	1.9
671.27466	30.6
672.27466	8.4
673.25446	2.3
679.24097	15.4
697.25348	44.0
698.25995	13.5
701.24994	2.9
705.37231	2.5
715.26367	52.3
716.26764	13.8
729.27869	5.4
730.28961	2.3
741.23584	3.2
747.28748	29.7
747.40735	2.9
748.29108	9.8
759.25366	3.3
773.27216	5.6
791.40106	2.4
844.27539	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	833.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
59.20440	0.2
61.98849	0.3
69.39024	0.7
69.39445	2.1
80.05063	6.2
85.02966	0.4
94.06651	0.5
95.01411	0.3
97.01720	0.3
101.02447	0.4
104.05071	3.6
105.05395	0.3
106.06641	10.9
107.06980	0.4
108.04568	10.7
108.08200	0.4
115.00409	0.3
116.05109	0.3
118.03036	0.3
120.04555	0.5
121.05337	0.7
122.06140	1.1
124.04054	0.5
124.07706	5.7
129.61433	0.2
130.06662	1.7
132.04572	3.9
134.06126	3.0
136.07698	21.1
137.08025	0.6
142.06627	0.2
145.05321	0.3
146.06099	0.8
147.03226	0.3
148.04054	4.7
148.07709	0.3
148.51707	0.2
150.05629	2.2
152.07202	0.8
158.02464	1.3
158.06145	0.7
160.04068	2.8
160.07700	6.8
161.04764	0.9
161.08011	0.5
168.06740	1.1
171.09276	0.4
174.05618	3.8
175.02551	0.6
176.03578	0.9
178.05110	1.9
182.06120	0.3
183.09262	1.0
186.05504	0.5
187.06393	0.5
190.05118	1.6
191.70908	0.3
192.98872	0.3
195.09332	0.5
197.07240	0.5
197.10855	1.1
198.07863	0.2
199.12442	0.8
200.03552	0.3
201.07962	0.3
207.09192	0.8
208.06358	0.5
208.09949	0.3
209.07014	0.3
210.07985	1.8
211.08714	1.6
212.09227	0.4
213.13857	0.5
214.12375	0.4
221.07169	0.4
221.10863	0.7
222.09464	0.3
223.08792	5.1
223.12401	1.1
224.09532	7.5
225.10329	11.0
226.10695	0.6
227.08202	0.7
228.08893	0.4
229.11208	0.3
232.06329	0.3
234.04176	0.4
234.07976	1.1
235.08742	2.0
236.05911	1.0
236.09122	0.2
237.06802	1.2
237.10330	4.2
238.08769	0.6
238.10898	0.6
239.08228	0.6
239.11906	8.4
240.12283	0.9
240.22499	0.3
241.09805	1.5
242.10521	1.2
243.11137	0.3
247.08685	0.6
248.09602	0.4
249.06665	0.7
249.10330	5.7
250.07465	3.7
250.10867	0.6
251.08240	12.8
252.08786	2.1
253.09799	0.8
255.11375	3.5
256.12109	0.9
257.12946	60.8
258.13263	4.9
263.08212	0.9
264.09058	0.6
265.09799	12.2
266.10474	2.2
267.11374	27.1
268.08804	0.4
268.11615	2.5
269.08957	0.6
277.09903	0.2
281.09729	0.3
281.12744	1.3
283.10858	0.4
285.12363	0.8
287.10440	0.2
291.07718	0.5
293.09332	12.3
294.09619	1.6
295.10910	3.0
299.10391	0.9
299.13965	0.7
301.11972	0.6
307.10831	0.4
309.08887	0.6
310.09601	0.4
311.10361	14.7
312.10812	1.3
325.11981	1.8
326.12451	0.4
337.08401	0.4
353.11572	0.6
355.09402	3.9
364.16873	0.6
370.15680	0.5
390.18234	2.6
391.18616	0.4
392.19904	1.4
402.18118	1.0
414.14294	0.6
418.17630	1.2
436.18787	31.1
437.19034	4.1
442.17947	0.3
444.19724	2.1
463.92450	0.3
467.20865	0.9
483.24088	6.1
484.24094	1.0
489.22794	1.0
490.23355	0.3
491.20764	1.2
493.18961	0.3
505.22226	0.4
509.21985	1.9
520.20746	0.4
523.19818	0.3
523.22211	0.2
527.23334	0.6
533.21637	2.2
534.22302	0.6
535.19739	0.7
549.21588	3.9
550.21289	0.7
551.22913	9.9
552.23413	1.9
559.20441	0.3
577.20917	5.3
578.21259	1.0
595.22015	27.4
596.22388	4.6
621.19806	0.9
627.25000	2.6
628.24707	0.4
639.21094	23.6
640.21356	4.5
653.22656	0.7
671.23657	100.0
672.24017	21.4
681.22253	0.5
713.24652	0.6
757.27594	3.8
758.28217	0.9
801.26483	12.7
802.27014	3.6
833.29095	12.5
834.29449	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	833.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.5
59.93365	0.9
60.01715	0.9
61.98832	4.5
67.88003	0.8
70.32030	0.8
71.01377	7.6
71.73093	1.5
72.99300	1.0
73.02950	2.8
78.95913	4.9
80.05054	5.5
83.01396	2.4
85.02963	1.8
87.00902	4.1
88.98795	2.0
89.02454	3.4
96.96033	1.2
99.00899	1.1
101.02457	4.2
104.05086	3.7
106.06641	9.5
108.04557	9.7
113.02464	2.0
115.00391	4.8
116.92897	1.0
119.03463	1.0
122.06191	2.2
124.07724	3.9
128.03572	1.0
130.06650	1.6
132.04594	3.2
133.01454	1.9
134.06120	2.7
135.04608	0.8
136.07700	19.7
148.04045	4.9
150.05606	2.4
154.50687	0.7
160.04056	2.5
160.07704	6.8
161.04608	1.4
164.89374	0.9
168.06815	1.6
174.05605	4.1
175.02510	7.8
178.05118	1.8
183.09201	1.0
190.05066	1.3
210.07980	1.0
211.08766	1.1
223.08788	3.7
224.09508	6.3
225.10303	10.0
234.08034	1.2
235.08774	1.1
236.36147	1.0
237.10352	3.7
239.08194	1.3
239.11874	7.6
241.09900	1.3
249.10263	5.6
250.07455	3.5
250.43944	0.8
251.08179	9.0
253.09834	1.0
255.11421	3.2
257.12943	51.6
258.13263	3.8
263.08252	1.7
265.09814	10.4
266.10352	1.9
267.11349	22.0
268.11752	1.7
269.09390	1.2
281.13040	1.2
283.10999	1.8
293.09299	12.2
295.10767	2.4
301.11929	0.9
307.10938	1.1
311.10352	13.3
312.10806	1.3
325.12009	1.0
355.09351	3.1
390.18057	2.4
395.07751	0.8
414.14270	0.9
418.17902	1.1
434.69656	0.8
436.18771	26.9
437.18985	3.2
444.19095	1.0
467.21115	1.0
483.24057	6.5
489.23117	1.2
491.20602	1.0
509.22162	2.3
533.22046	3.0
549.21399	3.7
551.23022	8.1
552.22876	1.5
577.20923	3.6
595.22003	24.2
596.22681	3.1
627.25214	1.8
639.21075	19.1
640.21277	3.8
657.25970	1.5
671.23663	100.0
672.23944	20.6
757.27374	2.9
789.37793	2.4
801.26385	10.5
802.26984	2.6
833.29150	12.2
834.29608	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	833.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98820	1.7
70.89178	0.9
70.89576	0.9
71.01372	1.8
72.99297	0.6
73.02937	0.5
78.95918	0.3
79.43702	0.4
80.05070	1.5
80.87469	0.4
82.38061	0.4
85.02980	0.7
87.00880	0.7
96.96040	0.4
101.02448	1.0
104.05058	1.8
106.06654	3.0
108.08189	0.7
111.54992	0.4
113.02434	0.7
115.00366	1.3
130.06604	0.8
132.04567	5.8
134.06151	1.5
138.16461	0.5
146.06017	0.5
148.04030	1.9
152.07185	0.5
160.04044	1.6
160.07689	1.2
174.05576	1.2
175.02534	2.3
176.03502	0.4
187.08778	16.7
188.09091	0.8
190.05199	0.5
195.09227	0.7
197.07274	0.6
197.10852	0.5
199.05122	0.7
199.12448	0.4
209.10695	0.5
210.07962	2.8
211.05119	2.0
211.08693	2.4
212.05884	5.6
213.06706	3.9
214.12363	0.7
221.10828	1.1
223.08772	4.8
223.12389	1.7
224.09525	10.4
225.06903	2.9
225.10316	15.6
226.10748	1.3
227.08235	0.9
234.07881	1.2
235.08627	1.9
236.05971	2.1
237.06612	0.9
237.10323	3.5
238.10976	0.9
239.08162	1.2
239.09459	0.6
239.11884	9.8
240.09015	2.6
240.12115	0.8
241.09813	17.8
242.10146	1.5
243.04117	3.5
247.08727	0.5
248.09512	0.7
249.06517	0.6
249.10318	4.2
250.07433	6.1
250.10194	0.6
250.77361	0.4
251.08238	29.1
252.08765	3.3
253.09677	1.1
255.07782	0.5
255.11317	1.9
257.12933	16.3
258.13211	0.9
263.08081	0.5
265.09790	14.4
266.10291	2.0
267.11359	32.3
268.08948	0.7
268.11563	2.7
269.09222	1.4
283.10843	1.4
285.08859	1.1
291.07831	0.9
291.11328	0.5
293.09317	36.3
294.09677	3.1
301.11826	1.9
309.08755	2.0
311.10367	30.0
312.10568	2.7
325.11905	0.7
355.09387	8.8
356.09714	1.0
374.15256	0.6
385.10455	0.5
392.12744	0.7
413.24026	0.4
418.17938	0.5
420.15543	1.3
429.99908	0.4
436.18884	2.2
479.17383	0.9
483.24060	0.8
493.19290	0.8
506.20276	0.6
517.18976	0.5
533.18365	1.8
534.18701	2.0
535.19470	2.7
538.78729	0.4
549.21271	0.9
551.23169	0.6
561.17664	1.7
562.18921	1.1
577.20905	3.4
579.18896	4.5
580.19531	1.1
595.21954	2.2
596.22009	0.5
623.17889	2.9
639.21051	1.5
739.26086	1.5
757.27545	15.9
758.27905	3.6
801.26459	100.0
802.26801	24.5
833.29144	6.3
833.44391	0.5
834.29449	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	831.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.8
59.01380	100.0
60.01717	1.1
61.98830	1.7
62.83916	0.5
64.57149	0.4
69.03463	1.3
69.73943	3.6
71.01387	56.3
72.01753	1.1
72.99302	2.8
73.02951	50.8
74.03292	0.7
75.00896	1.0
81.03465	0.7
83.01395	19.0
85.02956	8.4
86.16955	0.5
87.00883	4.3
89.02452	18.2
95.01397	3.0
96.96017	0.6
97.02985	1.0
99.00897	0.9
101.02458	59.0
102.02822	1.0
108.02179	1.1
109.02987	0.7
111.00912	0.5
113.02467	27.4
114.02779	0.8
115.00394	1.7
117.03473	0.9
119.03522	8.4
119.05023	0.8
122.03768	0.5
123.04581	0.7
125.02495	2.1
128.03633	0.7
131.03511	5.7
131.04350	0.6
133.01462	1.5
133.02985	0.9
134.03775	1.8
135.04541	0.8
137.02534	0.6
143.03511	7.1
145.02998	2.9
146.03764	1.3
147.02982	0.8
147.04572	0.9
149.02518	1.0
149.04579	8.4
150.03276	1.4
151.04036	1.1
154.99979	0.6
155.03523	1.8
160.01726	1.7
161.02560	3.3
161.04590	16.4
161.05984	0.6
162.03246	42.5
162.87521	0.5
163.03810	1.9
164.04866	0.8
165.05582	1.6
173.06073	0.5
175.02565	0.9
175.04016	0.9
177.05592	31.2
178.05988	1.7
179.03645	0.7
179.05658	4.2
179.07205	1.4
180.04434	0.5
190.06439	0.8
195.06705	1.8
203.05638	1.6
219.06712	1.4
221.06602	3.5
222.05334	1.3
239.07112	0.5
240.07880	0.9
251.07129	0.6
256.07507	0.8
267.06531	0.8
268.07382	4.5
279.06689	0.8
280.07480	1.9
283.06601	0.8
283.09906	3.4
284.06967	0.7
287.86649	0.5
291.07004	0.6
293.08298	1.1
294.05493	0.6
294.08792	0.5
295.06332	1.0
296.07010	1.7
299.09329	1.6
307.06284	0.8
308.06955	2.1
308.10309	0.7
309.07632	2.6
311.09198	3.1
312.06564	3.1
312.09808	0.8
321.07642	0.8
322.08649	1.9
323.09192	6.0
324.06430	2.2
324.10068	3.4
325.10739	1.1
327.08734	9.9
328.09219	0.9
338.11682	1.9
339.08566	17.2
340.09238	1.9
341.10724	0.7
342.11063	11.2
343.11655	1.4
353.10150	0.7
354.11148	6.5
355.11584	1.5
357.13483	23.8
358.13635	2.7
369.13446	43.1
370.13828	4.8
433.02490	0.5
607.22186	1.0
639.45508	0.5
727.26495	1.3
831.44037	1.2
850.19415	0.6
856.07471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94396	6.3
71.01427	7.3
71.71646	11.9
78.95906	75.0
80.64793	8.1
80.96516	17.5
96.96970	14.9
118.25043	6.4
122.97560	14.0
133.90147	6.6
152.99602	18.9
226.79443	7.4
241.01184	31.6
255.23232	52.3
277.21729	36.6
393.79111	6.9
831.50458	100.0
832.51038	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	832.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.6
61.98831	100.0
65.00341	0.7
71.01380	5.5
71.73614	0.6
73.02962	0.9
83.01407	1.1
85.02975	0.8
89.02464	0.9
92.33644	0.6
101.02470	1.7
101.03978	0.5
107.01393	1.5
113.02500	1.1
115.00404	3.1
117.03543	0.6
119.05060	1.1
127.05180	1.0
130.08737	0.7
133.01448	5.0
134.03773	6.0
145.03026	1.0
145.06213	1.6
149.02449	3.3
149.06113	0.8
151.00388	5.8
152.01193	0.6
161.04562	0.5
163.04065	1.3
164.04825	2.1
169.01509	0.6
175.02499	0.6
175.12949	0.7
178.99898	1.9
183.04605	1.2
186.12589	0.8
187.04080	0.6
193.05083	11.1
194.05415	1.8
199.04037	5.2
201.01959	1.3
203.03581	0.7
213.10257	0.6
215.03531	1.2
221.70903	0.6
223.06210	4.5
227.03503	6.0
229.01450	0.8
242.02258	3.1
243.02989	24.6
244.03444	1.6
255.02986	8.8
256.03351	0.8
257.04565	3.7
258.04947	0.7
270.01666	3.3
271.02451	33.1
272.02963	3.2
285.03998	7.7
286.04767	2.4
287.05447	1.1
299.01978	66.6
300.02573	11.1
309.06223	0.7
313.03653	2.0
314.04315	79.4
315.04977	17.1
316.05612	0.9
357.06244	1.1
492.24680	8.3
493.25372	0.6
769.22235	93.7
770.22534	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	831.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.5
59.01381	100.0
61.98819	3.2
66.33945	0.6
69.03452	1.9
69.96099	3.8
71.01389	53.4
72.99330	2.8
73.02953	50.5
74.03271	0.6
75.00896	1.3
78.95916	1.0
83.01395	21.8
85.02967	7.2
86.20416	0.6
87.00887	4.5
89.02456	11.1
95.01393	2.0
96.96040	1.5
97.02977	1.1
98.08698	0.6
98.19882	1.2
99.00901	1.3
101.02460	60.5
102.02806	1.8
108.02161	1.2
109.02998	0.9
111.00918	1.2
113.02463	21.4
114.02842	0.6
115.00424	2.5
116.92889	0.8
117.01954	0.7
117.03474	1.4
119.03526	7.5
119.04998	1.1
121.02995	2.2
123.00891	0.7
125.02463	2.9
126.98035	0.6
128.03601	0.8
131.03525	6.2
133.01469	2.1
133.02982	1.4
134.03761	0.9
135.04546	0.7
136.01674	11.8
137.02460	2.3
139.04034	0.6
143.03517	6.2
145.02986	6.7
146.03790	2.9
147.04579	1.4
149.02391	0.7
149.04575	9.6
151.00385	3.8
151.04041	10.9
155.03539	1.8
161.02536	6.0
161.04587	17.3
161.05943	1.0
162.03253	39.8
163.03746	1.8
166.02724	13.7
166.03993	0.8
174.01637	0.6
175.02509	2.7
175.03947	0.9
176.01222	0.6
177.05598	26.2
178.06015	1.1
179.03502	0.8
179.05612	1.6
180.04305	0.9
181.05078	13.9
182.05489	1.1
189.05544	0.9
191.03505	0.8
192.04269	0.8
195.06680	2.3
203.05617	1.6
207.06641	1.1
219.06664	1.9
221.06729	2.6
239.11961	0.7
257.12979	0.7
300.10095	0.6
339.10965	2.3
357.09692	1.7
357.13440	1.0
372.12219	1.7
387.14484	8.9
388.14905	1.5
399.13086	2.0
447.77615	0.7
547.19690	16.5
548.20068	1.9
727.40900	1.1
753.76678	0.7
787.28302	0.8
831.46466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.0
59.01381	100.0
60.01712	1.1
61.98825	1.6
69.03462	1.5
71.01387	31.7
71.71652	0.8
71.72065	1.1
72.01735	0.8
72.99326	1.7
73.02953	29.5
83.01401	11.5
83.05086	0.8
85.02954	7.3
87.00896	2.7
89.02453	9.8
93.05882	0.5
95.01424	1.8
97.02979	2.0
99.00945	0.9
101.02458	32.5
102.02799	0.6
107.05069	0.5
109.06643	0.6
111.04609	0.6
113.02468	15.6
113.03245	0.9
113.06142	1.5
115.00414	4.2
119.03526	5.3
122.03811	0.7
123.08208	1.6
125.02503	0.6
125.06145	0.6
127.05212	0.6
128.03580	0.7
131.03499	2.8
133.01477	7.3
134.03760	5.7
136.05315	1.1
138.06902	7.3
139.07712	2.6
143.03557	3.7
147.08249	1.2
149.02525	0.8
149.04568	7.6
151.07701	5.9
152.08459	11.4
153.09248	40.7
154.09636	2.2
155.03549	0.9
161.04597	14.1
163.11287	0.8
164.04828	0.9
165.09280	1.7
175.02519	2.3
179.10812	0.8
187.11340	1.3
189.09286	0.6
190.10007	0.9
193.05057	8.0
203.05641	3.5
205.12358	21.4
205.14241	1.2
206.12732	1.5
221.06668	6.7
221.08345	0.6
223.06104	1.2
223.13429	17.3
224.13753	1.5
243.02910	0.7
255.03078	2.3
271.02396	4.7
300.02795	6.9
301.03336	1.1
367.17651	16.5
368.18146	2.4
385.18704	5.7
385.23114	0.5
386.18982	0.6
399.16492	0.9
427.19754	46.4
428.20053	6.0
428.25372	0.7
441.23425	0.9
518.30176	0.6
651.20380	1.0
755.21082	3.6
756.21552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
60.99308	19.9
71.00994	0.2
71.01390	4.4
71.72633	0.4
73.02940	1.6
83.01398	0.6
85.02954	0.8
88.82644	0.2
88.98815	100.0
89.02448	0.5
89.03960	0.4
89.99149	1.0
91.09070	0.3
101.02455	1.5
107.01482	0.2
111.34254	0.2
113.02480	0.7
115.00391	1.8
115.97544	0.2
117.03484	0.6
118.03823	0.2
119.03527	0.3
124.38853	0.2
129.02014	0.2
131.03506	0.3
133.01436	1.5
134.03752	9.9
135.04018	1.3
143.03496	0.3
149.02449	0.7
149.04524	0.4
149.06081	0.8
150.06445	0.3
151.00424	0.9
161.04568	0.9
163.04012	0.3
164.04785	0.5
178.02908	0.5
178.19833	0.2
178.99937	0.4
179.03337	0.3
187.04187	0.2
193.05074	15.5
194.05406	4.2
195.05553	0.9
221.06676	0.5
223.06097	1.2
227.03526	6.6
228.03917	0.6
229.05147	0.3
255.02971	12.9
256.03516	1.4
257.04428	0.4
283.02591	0.4
284.03259	21.1
285.03864	4.0
309.06213	0.9
310.06586	0.5
351.49597	0.2
413.27109	0.2
739.21051	23.6
740.21326	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	827.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
68.38982	0.1
69.94562	0.9
71.01384	10.4
72.01720	0.2
72.99312	1.9
79.95737	0.2
85.02955	0.2
87.00904	0.5
89.02472	1.1
95.95230	0.2
96.96022	0.7
107.05028	0.4
111.00877	0.1
115.00387	31.6
116.00735	0.5
133.01448	100.0
134.01790	2.4
134.03784	1.4
135.04538	22.5
136.04887	1.1
149.02495	0.2
156.00694	0.3
157.01405	0.3
161.02466	0.2
163.04030	0.3
166.89821	0.1
175.02505	0.1
177.01970	0.5
178.02489	0.3
179.03514	24.8
180.03853	1.1
193.05080	0.4
209.03114	0.1
211.06245	0.2
231.77676	0.1
234.05246	0.2
262.68777	0.1
295.04584	8.5
296.05020	0.5
307.08377	0.7
367.74155	0.1
373.38324	0.1
408.04440	0.5
469.13553	0.4
513.12604	0.2
603.62915	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	827.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.81685	0.1
61.98822	0.4
66.92910	0.1
69.03455	0.1
71.01386	14.5
72.01713	0.3
72.99311	0.2
73.02946	0.3
81.66318	0.1
83.01402	0.3
85.02972	0.2
87.00890	0.2
89.02446	0.4
89.03975	0.9
96.96046	0.1
98.74870	0.1
101.02450	0.5
106.04256	0.2
106.06654	0.3
111.00909	0.2
113.02541	0.1
115.00388	7.9
116.00715	0.2
117.03477	4.3
117.05728	0.1
118.03759	0.1
119.03577	0.1
119.05084	0.2
121.02946	0.2
133.01453	7.6
133.03026	0.3
134.03758	52.7
135.04092	2.2
136.96397	0.1
137.02440	1.3
139.02966	0.1
139.04024	0.3
149.02431	0.3
149.06097	5.7
150.03206	0.1
150.05542	0.3
150.06500	0.3
161.04443	0.1
163.04037	0.3
164.04793	0.2
165.01956	0.1
165.05489	0.1
175.02448	0.1
177.01918	0.1
178.02731	4.2
179.03151	0.3
193.05072	100.0
194.05406	5.7
221.06679	0.1
223.06061	0.5
243.03009	0.2
255.02994	0.4
271.02509	1.0
300.02747	1.4
301.03326	0.2
309.06146	6.1
310.06485	0.5
337.18607	0.1
441.17639	0.1
518.15149	0.4
545.55695	0.1
755.20227	0.9
756.20776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01382	32.2
61.98847	8.5
69.15102	1.8
71.01389	12.5
71.72398	2.9
72.99321	1.6
73.02940	4.4
75.27869	1.5
78.95898	2.4
80.05063	4.3
83.01361	3.1
85.02952	5.2
87.00883	3.5
89.02468	3.9
94.06644	16.8
96.96013	3.5
99.92584	1.7
101.02421	5.0
106.06649	17.3
113.02456	7.9
115.00372	8.1
116.92879	3.4
119.03540	2.0
122.06172	9.2
124.07700	15.4
125.02430	3.0
132.04581	4.5
133.01485	2.4
134.06151	11.6
136.07712	1.8
138.05652	2.0
143.03537	1.7
160.04041	1.9
160.06445	4.4
161.04697	2.2
168.06725	11.2
174.05571	2.3
175.02486	7.3
190.05072	5.2
213.10323	19.1
222.45309	1.6
223.08777	2.1
226.11124	2.4
237.10362	2.6
239.11893	17.9
241.13412	7.0
251.11862	3.6
267.11337	11.9
277.09750	3.2
285.12457	44.7
286.12540	2.6
289.45285	1.8
293.12909	7.3
294.13162	2.1
295.10849	2.7
340.14706	8.6
342.12485	2.1
342.16159	1.9
343.13080	3.6
344.13809	3.1
354.12531	2.2
355.13599	1.8
356.13965	3.7
357.14691	3.0
358.15585	12.5
368.13913	2.4
370.15594	4.0
372.17020	3.3
384.13358	5.4
384.17648	2.2
396.13431	3.0
397.14334	2.7
398.15042	3.9
400.16458	7.8
401.17148	1.9
412.16556	6.5
427.28705	1.7
444.15283	2.3
460.38907	1.6
469.26334	2.2
477.23001	2.6
481.22281	1.8
495.23984	5.8
503.20801	2.4
519.23700	3.1
521.21704	2.5
537.25049	18.6
538.25281	2.3
545.21729	8.8
563.22949	14.2
581.24139	100.0
582.24365	22.0
607.22003	26.4
608.21948	4.5
613.26837	49.8
614.27179	10.9
625.23151	10.4
626.23389	1.9
629.35144	2.6
639.24878	5.7
649.24561	2.1
655.28992	3.9
657.25751	11.7
658.24805	3.5
699.26501	4.5
787.28534	50.5
788.28882	10.6
817.82855	1.7
819.31396	18.5
819.45795	2.1
820.31244	6.4
832.39038	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	821.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.1
61.98814	1.6
66.03508	0.8
69.29353	0.8
69.65232	6.3
71.01380	3.6
73.02945	2.1
80.05040	2.6
83.01308	0.7
85.02944	1.7
87.00869	1.3
89.02429	1.5
94.06636	40.0
95.06929	2.0
96.95977	0.8
99.00861	0.7
101.02471	1.4
104.05052	1.1
105.05797	0.9
106.06651	18.3
107.03771	2.1
107.83984	0.7
108.04546	0.8
113.02447	0.9
115.00378	1.3
116.05145	0.7
120.07372	1.3
120.08212	20.3
121.05387	1.6
122.06144	41.5
123.06434	1.1
124.07703	26.1
125.08067	0.9
130.08723	1.8
132.04535	2.8
133.01372	1.0
134.06108	2.5
136.07684	2.8
138.05594	2.5
144.08177	1.1
148.04015	1.1
150.05666	1.1
152.07166	1.8
158.02585	1.5
158.06119	1.0
160.04060	2.0
161.04868	1.0
162.05568	1.2
164.07167	2.1
168.05357	1.3
168.06685	19.3
168.87405	0.7
169.06996	0.7
173.04782	0.9
174.05598	2.9
174.09250	1.0
175.02435	1.7
180.06664	2.0
182.08284	1.3
185.10732	0.9
190.05121	6.7
200.07149	1.3
202.05061	1.0
210.07898	0.9
213.10478	1.0
213.16460	0.8
215.11656	0.9
217.13428	1.7
221.07077	0.8
221.10828	4.6
223.08807	6.8
223.12306	1.6
224.09486	2.8
225.10321	3.3
235.08763	1.7
235.12384	1.8
236.09607	1.1
237.06764	0.8
237.10370	7.8
238.10994	2.8
239.11867	7.6
241.13460	3.3
243.14922	1.3
249.06566	2.2
249.10295	4.1
250.07234	1.7
250.10962	1.2
251.08275	5.2
251.11900	6.6
252.12500	1.8
255.11282	1.0
261.10333	1.8
262.07452	1.4
262.10980	0.9
263.08249	7.9
263.11823	2.6
264.08997	9.5
264.12036	1.4
265.09738	8.8
265.13373	2.7
266.10568	0.9
267.11395	4.1
269.13062	3.6
271.10852	2.0
275.08249	2.0
276.09058	5.0
277.09839	13.9
277.13019	1.3
278.10580	4.4
279.11389	25.1
280.11920	5.6
281.12830	2.0
283.10861	1.2
285.12439	4.0
287.14050	1.3
289.09726	1.3
290.10577	2.5
291.11404	17.2
292.12149	6.3
293.12775	3.5
294.10300	1.0
294.13309	0.8
295.10938	2.7
295.14334	1.1
296.23312	0.7
297.12427	2.6
298.13373	0.8
303.11206	1.2
304.12024	1.3
305.09314	3.3
305.12949	2.6
306.10114	1.1
306.13626	2.9
311.10306	0.9
311.13916	1.1
323.10245	5.5
324.11081	3.0
327.13644	1.2
330.15906	1.1
336.10983	1.4
342.16168	5.4
343.16711	1.2
344.17746	1.0
355.13266	0.9
356.14038	1.5
356.17908	0.9
358.19183	1.4
360.17288	3.3
361.17786	1.0
368.13919	1.8
370.15454	4.5
371.12564	2.3
371.20123	0.9
372.17059	1.5
372.21063	1.0
374.18787	8.3
375.19128	2.9
376.20233	2.2
382.15649	1.4
383.16510	1.1
384.17294	2.1
386.14990	3.1
386.19171	1.1
388.16440	3.3
389.16995	1.0
396.17380	1.2
397.17874	2.3
398.18997	4.5
399.19476	2.6
401.08768	0.8
401.17627	0.9
402.18069	4.7
403.18768	1.0
413.17456	0.9
414.18060	1.7
416.19812	16.9
417.20465	6.9
420.19229	3.0
424.16394	1.0
425.17310	6.2
426.18042	1.1
428.15839	1.0
442.17752	5.3
443.18484	22.8
444.19083	4.5
446.17136	1.4
460.18781	14.6
461.19543	48.6
462.19943	9.4
474.20285	1.3
487.17081	0.8
492.21335	16.7
493.22006	2.6
497.25790	2.7
518.19287	2.1
536.20514	1.4
539.26678	5.8
547.23621	1.9
565.24664	5.9
565.32678	1.3
566.25018	1.0
569.24109	1.7
578.20966	1.1
583.25653	100.0
584.26038	16.5
597.27106	0.9
609.23627	16.6
610.24194	3.5
615.28406	84.4
616.28723	17.6
627.24652	7.9
628.25269	1.1
641.26392	6.5
642.26355	1.6
657.29535	3.3
659.27338	17.0
660.27911	3.8
666.23236	2.3
667.23834	2.8
669.25977	1.9
698.26031	6.1
699.26636	1.7
701.28522	9.4
702.28680	2.4
789.30237	33.1
790.30359	10.8
821.32837	32.1
821.47418	2.2
822.32996	8.4
822.46716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.3
63.02395	0.4
65.00334	0.7
69.44373	3.6
69.44778	0.7
73.63744	0.4
75.79848	0.3
80.11481	0.3
107.01382	1.2
108.02204	1.3
119.01608	0.4
121.02955	0.4
133.01462	1.0
135.00952	0.7
148.01736	1.1
151.00403	5.7
163.00392	1.0
164.01228	0.6
178.99879	2.7
197.44026	0.4
211.04034	0.5
215.03433	0.5
226.02689	1.2
227.03558	2.1
243.02988	10.5
244.03529	1.1
254.02255	2.3
255.02975	23.5
256.03351	2.0
271.02469	53.2
272.02951	5.3
299.02164	2.4
300.02759	100.0
301.03186	12.5
755.20709	69.5
756.07465	0.8
756.21051	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	819.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
58.00572	0.6
59.01380	22.9
61.98823	1.7
61.99115	0.4
63.89057	0.4
69.57881	1.9
69.58311	1.7
71.01386	19.7
71.20606	0.4
72.01737	0.7
72.99305	1.5
73.02953	4.2
80.05054	3.6
83.01396	1.6
85.02960	5.0
87.00874	1.9
89.02454	18.7
90.02852	0.4
94.06635	0.5
95.01413	0.6
96.96009	0.5
99.00894	0.8
101.02457	11.4
104.05064	0.7
106.06644	8.4
108.04572	7.0
108.08244	2.8
113.02471	4.7
115.00368	2.4
115.25755	0.4
119.03525	1.7
120.04554	0.7
121.05388	0.6
122.06140	4.0
124.07699	4.3
125.02464	1.1
128.03537	0.6
131.03523	8.6
132.04578	8.4
132.08221	0.9
133.01433	1.4
134.06143	6.0
134.09770	1.7
135.04536	0.7
136.07698	16.6
143.03510	1.0
146.06117	0.8
148.07736	1.2
149.04575	13.2
150.05675	1.9
152.07224	3.6
157.01334	0.4
160.04060	0.6
160.07610	0.6
161.04576	1.7
162.03271	0.9
166.02596	0.4
168.06839	2.1
175.02455	1.9
177.05614	0.8
178.05019	2.0
179.05649	0.7
183.09280	2.6
191.05630	3.2
199.12419	1.0
203.05621	0.5
210.07906	0.7
211.08676	1.1
212.10825	0.5
213.10342	2.6
213.14024	0.7
221.06760	0.8
224.09538	2.7
225.10306	4.8
226.10695	0.4
227.08279	0.6
233.06619	0.6
239.11923	5.4
240.12209	0.5
241.09799	1.0
241.13408	1.0
242.10548	1.0
243.11412	0.7
249.10298	0.8
255.11375	2.4
257.12955	49.2
258.13223	4.7
267.11472	1.5
275.07828	0.5
283.06088	1.1
283.10837	1.6
285.12469	3.0
286.12787	0.4
291.46286	0.5
293.09006	1.3
299.10428	0.8
301.11963	0.9
311.10040	0.9
327.09598	0.7
329.11441	4.0
330.12180	0.6
364.16687	0.9
390.18262	1.1
392.19830	1.6
418.16980	1.0
418.21835	0.8
436.18777	37.3
437.19202	6.7
462.20468	3.5
463.20990	0.8
467.20834	1.7
497.21866	1.5
509.22079	1.0
525.24799	0.9
551.22723	1.7
569.24176	6.7
570.24457	1.7
595.21948	1.8
613.23175	100.0
614.23517	21.6
639.21088	0.5
655.24390	0.6
657.41034	0.5
715.35638	2.8
716.35815	0.7
733.36810	3.0
775.27777	11.1
776.28033	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	811.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.77499	0.1
62.08511	0.2
63.38277	0.2
69.93345	0.9
71.01388	10.7
71.22850	0.2
72.01721	0.2
72.99311	1.9
74.99099	0.8
87.00902	0.5
89.02448	1.3
95.95256	0.7
96.96020	1.5
107.05028	0.5
111.00861	0.2
115.00390	29.7
116.00719	0.6
119.05046	0.2
128.03535	0.2
133.01454	100.0
134.01807	2.3
134.03784	1.9
135.04544	26.3
136.04887	1.2
163.04059	0.6
177.01949	0.4
179.03519	29.1
180.03854	1.7
193.05058	0.6
232.14778	0.2
295.04587	7.6
296.04962	0.7
408.04282	1.3
409.04468	0.3
410.04260	0.2
442.02353	0.2
737.37671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01381	3.0
63.95917	0.3
63.96234	2.2
69.03470	1.2
69.58251	2.7
71.01385	9.6
71.01759	0.7
72.99299	0.7
73.02956	2.2
78.95898	0.4
78.98599	7.8
79.95267	0.8
79.95743	17.7
80.96525	100.0
81.03459	1.0
81.96459	0.3
83.01407	0.4
83.06715	0.4
85.02957	3.5
87.00890	4.0
94.98096	21.1
95.01353	0.4
96.96003	1.7
97.02953	1.8
99.00899	0.8
99.04546	0.4
101.02453	3.4
106.98106	4.1
113.02460	0.6
122.97602	5.1
125.02470	3.6
127.04013	1.0
134.97604	7.3
136.99168	1.7
141.01697	0.4
146.97633	0.6
148.99159	8.3
152.98642	7.1
156.24002	0.4
164.98654	15.5
167.00116	0.4
188.98613	0.6
206.99664	3.4
207.99907	0.4
225.00742	22.3
226.01175	0.6
255.23332	1.8
277.21722	1.1
283.04980	0.4
304.90573	0.4
308.58112	0.4
320.91986	0.4
322.91571	0.9
476.87082	1.6
477.87296	0.5
478.86584	1.4
537.27393	1.3
559.25702	2.1
770.54462	0.4
815.50061	93.2
816.50421	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	817.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.00592	1.5
58.09136	0.2
59.01379	100.0
59.30857	0.3
60.01707	0.8
61.98833	1.1
63.93317	0.3
68.96887	0.2
68.99811	0.3
69.03474	1.8
71.01387	53.4
72.01738	0.8
72.99313	2.2
73.02951	54.9
74.03291	1.0
75.00890	1.3
81.03471	0.6
83.01394	20.1
84.01729	0.5
85.02959	6.7
87.00886	3.9
89.02450	8.9
89.02988	0.5
94.65223	0.3
95.01386	2.3
96.96028	0.3
97.02977	1.7
99.00898	1.2
99.04517	0.6
101.02455	60.4
102.02794	1.2
108.02211	0.4
109.02959	0.8
111.00906	0.6
113.02464	21.3
114.02792	0.8
115.00375	1.3
117.01978	0.4
117.03503	1.7
119.03521	5.1
119.05042	0.7
121.02966	1.1
122.03771	0.4
123.00901	1.1
123.04530	0.6
124.01717	0.5
125.02473	2.9
128.03568	0.5
131.03523	5.5
133.01436	1.0
133.02963	1.1
134.03757	0.8
135.04529	0.6
136.01662	1.8
136.02592	0.3
137.02478	3.1
138.03275	0.6
139.00374	0.4
143.03523	6.9
143.04610	0.6
145.02980	7.0
146.03769	2.9
147.03004	0.5
147.04568	1.5
149.02519	1.5
149.04567	7.8
150.03256	0.9
150.06885	0.3
151.00389	8.3
151.01558	0.6
151.04027	3.2
152.01006	0.7
152.04759	0.8
153.01981	0.5
153.05621	0.7
154.99901	0.7
155.03496	2.2
159.04549	0.3
160.05272	1.0
161.02507	7.3
161.04581	14.1
161.06058	1.5
162.03244	38.3
163.03595	2.3
164.04814	0.5
165.01920	0.9
166.02727	25.0
167.03195	1.3
174.01822	0.4
174.03178	0.3
175.02486	1.1
175.04007	1.8
176.01187	1.0
177.01997	5.2
177.05588	28.1
178.02617	0.6
178.05864	1.5
179.03603	0.7
179.05650	0.9
179.07150	0.6
180.04272	1.5
181.05086	27.7
182.05405	1.5
187.04018	0.6
189.01961	0.3
190.02702	0.4
190.06346	0.8
191.03522	1.8
192.04309	4.3
193.04964	1.1
195.06595	1.9
202.06390	0.4
203.03677	0.5
203.05638	1.6
204.04199	0.5
205.05038	1.6
205.08916	0.4
206.05711	0.5
207.06618	5.5
219.06651	1.8
220.07274	0.7
221.06525	2.9
221.08014	0.4
223.06215	0.3
225.07715	0.9
234.05252	0.4
235.09671	0.4
249.07736	0.6
255.26326	0.3
261.07672	0.4
315.08911	0.5
339.10779	2.0
357.11853	1.0
359.11139	0.4
361.54642	0.3
369.12595	0.4
371.11575	0.6
372.12094	0.4
385.12909	0.7
386.13751	0.8
387.10159	2.2
387.15222	2.3
388.10962	0.3
399.13235	1.0
401.12360	0.5
402.13019	1.6
403.13626	0.3
415.14081	0.3
416.14835	1.8
417.15594	10.7
418.15857	1.1
459.07867	0.3
493.35202	0.4
577.20844	25.5
578.21228	4.9
613.23340	0.4
757.27716	0.3
773.26343	0.4
817.28888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01383	5.5
64.29747	0.3
69.43147	1.0
69.43568	1.9
71.01387	19.9
72.01748	0.4
72.99311	1.9
73.02950	2.3
73.20901	0.2
73.51181	0.3
75.00935	0.2
77.37866	0.3
82.89995	0.3
83.01403	0.7
85.02954	2.3
87.00883	1.8
89.02449	4.7
94.06633	1.4
99.00917	0.6
101.02453	3.7
106.06638	0.3
108.04581	0.6
113.02445	2.5
115.00388	30.7
116.00697	1.0
117.03455	0.3
119.03556	1.0
119.05044	24.8
120.05386	1.3
122.06136	0.4
123.91809	0.3
124.07715	1.6
125.02371	0.3
128.03529	0.4
131.03499	1.5
132.04572	3.3
132.05486	0.4
133.01454	100.0
134.01801	3.0
134.03749	4.5
135.04378	0.4
138.05544	0.3
143.03624	0.4
149.06111	0.6
150.05592	0.7
158.02556	0.4
159.03079	0.6
161.04623	1.9
163.04036	45.2
164.04362	2.2
168.06673	3.5
175.02647	0.4
176.03563	0.8
179.03633	0.3
179.05681	0.7
180.06702	0.5
189.04303	0.7
190.05043	1.7
193.05087	5.8
194.05396	0.9
203.10785	0.4
213.10284	0.3
221.03448	0.3
221.06812	1.4
221.11780	0.5
222.12184	0.5
237.10320	4.4
249.10257	0.3
254.08127	0.7
265.09845	0.5
267.11328	2.5
269.13025	1.3
277.15454	0.4
279.05099	6.8
280.05505	0.8
281.09332	1.3
283.10629	0.5
285.12454	0.4
289.11975	0.6
295.10913	1.5
311.10367	5.8
312.10709	0.6
313.11893	2.9
314.12411	0.5
325.11890	0.4
327.08939	0.3
327.13223	0.3
339.09879	1.8
355.09467	0.6
357.11005	0.6
371.12415	0.5
517.18585	0.4
561.17322	0.3
590.64154	0.3
593.21765	0.3
642.36157	0.3
655.23352	0.6
679.23706	1.5
723.22614	16.0
724.23047	3.3
737.24469	1.9
738.24524	0.5
755.25555	5.0
756.26404	1.3
775.37683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98833	54.0
62.98505	0.2
63.02410	0.3
65.00332	0.5
83.01385	0.4
101.02473	0.3
107.01398	1.7
115.00413	0.8
119.05076	0.2
132.02231	0.9
133.01448	1.8
134.03781	0.4
135.00859	0.6
143.04987	0.2
151.00410	3.5
152.01160	0.3
163.00479	1.2
163.04037	0.4
164.01089	0.4
167.04929	0.2
169.01497	0.7
176.19218	0.2
178.99837	1.4
183.04526	0.6
187.04008	0.5
191.52249	0.2
193.05063	0.4
199.04002	0.4
200.04677	0.2
211.04007	1.3
213.05623	0.3
214.02695	0.4
227.03502	32.4
228.03896	3.3
229.05013	1.4
235.99541	0.2
239.03499	0.5
240.04085	0.2
241.04822	0.3
255.02980	64.5
256.03491	8.4
257.04593	1.7
283.02487	1.9
284.03256	100.0
285.03848	19.0
286.04358	1.0
309.04007	0.4
327.05139	0.7
376.73792	0.3
575.14154	0.3
660.64008	0.3
739.21082	73.0
740.21405	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	799.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
57.14330	0.2
59.01379	4.2
59.60720	0.2
71.01389	22.0
71.73582	0.4
72.01724	0.4
72.99313	1.6
73.02941	1.2
79.47816	0.2
83.01399	0.3
85.02976	1.1
87.00882	0.7
89.02454	2.3
89.03981	0.3
93.03450	0.4
93.68505	0.2
94.06629	0.6
94.22958	0.2
96.96062	0.2
99.00905	0.3
101.02466	2.0
108.04621	0.2
113.02454	1.5
115.00391	26.2
116.00755	0.6
117.03490	1.0
119.05045	45.8
120.05378	2.2
121.02947	0.3
124.07718	0.4
128.03551	0.6
131.03511	0.4
132.04552	1.2
133.01454	72.3
134.01837	1.6
134.03760	15.7
135.04416	0.9
137.02464	0.5
139.03984	0.4
143.03514	0.3
143.04599	0.3
146.06180	0.3
148.05064	0.3
149.02469	0.4
149.06084	2.1
150.03253	0.8
150.05611	0.5
159.51385	0.2
161.04564	0.8
163.04030	100.0
163.56458	0.3
164.04379	4.8
165.05562	0.6
168.06653	1.1
175.03954	0.3
176.03523	0.3
178.02710	1.7
179.03477	0.5
179.05623	0.3
189.04144	0.2
190.16374	0.3
191.07298	0.3
193.05077	29.2
194.05414	1.6
195.06602	0.3
203.10855	0.3
221.06668	0.8
221.11978	0.4
223.06055	0.7
237.10367	1.9
267.11429	0.9
269.12885	0.6
279.05103	10.1
280.05444	0.9
281.09296	0.3
295.11057	0.3
309.06061	1.6
311.10410	2.2
312.10989	0.3
313.11942	0.8
339.09854	0.6
355.09363	0.4
357.10757	0.3
389.12482	0.9
408.98026	0.3
551.19824	0.4
555.38275	0.3
567.15021	0.4
593.18994	0.4
679.23669	0.8
700.08295	0.3
723.22675	5.2
724.22626	1.3
755.25140	1.9
756.26044	0.5
799.39380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92716	0.2
58.09897	0.1
59.01370	1.0
59.37989	0.2
67.25486	0.1
71.01388	16.2
72.01730	0.2
72.99313	0.5
73.02959	0.3
83.01376	0.2
85.02982	0.4
85.03767	0.2
87.00893	0.5
89.02468	0.7
93.03484	0.4
94.06651	0.4
101.02470	0.8
108.04559	0.3
113.02456	0.5
115.00392	13.6
116.00750	0.5
117.03489	0.6
119.05045	42.5
120.05379	2.3
121.03011	0.2
124.07714	0.3
131.03534	0.3
132.04570	0.8
133.01454	27.3
134.01804	1.1
134.03760	8.9
135.04243	0.2
138.36867	0.2
149.06107	1.1
156.52986	0.2
161.04572	0.5
163.04030	100.0
164.04366	6.8
164.05769	0.3
165.04558	0.4
168.06691	0.6
176.03452	0.2
178.02771	0.6
193.05078	15.9
194.05377	1.0
221.06705	0.2
229.35541	0.3
237.10390	0.9
255.30258	0.2
267.11417	0.6
269.12949	0.4
279.05090	7.0
280.05362	0.8
281.09250	0.3
295.10715	0.3
309.06244	1.4
311.10269	1.0
313.11954	0.6
339.09937	0.4
357.11099	0.2
458.28027	0.2
540.33429	0.2
679.23950	0.5
723.22632	3.3
724.23041	0.7
737.24127	0.4
755.25415	1.1
756.25555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.00589	1.4
59.01382	26.5
59.68011	0.4
63.58130	0.5
68.99813	1.1
69.03476	0.7
69.68578	3.5
69.68987	0.9
70.38134	0.5
71.01389	29.5
72.99304	1.0
73.02954	9.6
75.00871	0.5
80.79753	0.5
83.01409	3.3
85.02966	11.6
86.00095	1.6
87.00885	8.4
89.02460	15.1
92.05079	0.9
94.06641	10.0
95.01402	2.8
97.02979	1.2
99.00878	2.5
101.02465	19.5
104.05090	1.5
106.06641	4.0
108.04572	2.7
111.00870	0.8
113.02465	14.0
114.02842	0.6
115.00422	0.8
119.03535	4.0
120.04583	0.8
122.06125	2.3
124.06857	0.9
124.07711	11.4
125.02446	1.5
127.24036	0.5
129.01918	0.8
130.02994	1.1
130.06718	0.6
131.03529	7.4
132.04584	20.1
133.01477	0.7
133.04936	0.7
138.05644	0.7
143.03513	1.7
144.04581	0.9
145.05339	0.5
146.06146	0.7
148.04065	1.0
150.05609	3.4
158.02512	3.4
158.06177	1.0
159.03008	1.7
160.04066	2.4
160.08963	3.3
161.04585	10.9
168.06683	21.8
169.07022	0.9
173.09615	0.5
174.05690	0.8
175.11305	6.4
176.03542	4.1
177.04361	0.6
179.03555	0.6
179.05673	2.2
180.06721	3.5
182.08296	1.0
188.03529	2.0
189.04321	3.6
190.05141	10.8
190.62337	0.5
191.05441	0.9
207.05635	0.7
209.10876	1.1
210.09236	1.4
212.10802	0.9
213.10391	1.0
219.10316	4.9
221.06682	7.3
222.07719	0.6
223.08810	0.6
237.10341	27.2
238.10628	2.7
239.11896	2.9
240.10294	1.2
243.11478	1.3
249.10297	0.8
251.08055	0.5
251.11868	1.5
253.09772	1.4
254.08194	3.3
255.11301	1.2
265.09872	3.2
266.08005	0.8
267.11365	16.0
268.11740	1.8
269.12949	8.4
270.13342	0.9
277.09830	0.7
279.07748	0.9
281.09344	8.2
283.10837	2.6
285.12421	3.7
287.10577	0.7
287.13715	1.0
289.11893	2.4
293.09427	1.1
295.10904	9.2
296.11148	0.7
297.12570	2.3
307.11011	0.6
311.10397	33.1
312.10715	3.8
313.11951	14.4
314.12366	2.4
323.10278	1.1
325.11945	5.5
326.12152	0.7
327.13541	1.2
329.11447	0.8
331.13028	1.1
339.09906	12.8
340.10150	1.7
341.11462	1.1
343.13141	0.6
353.11401	2.0
355.09296	4.0
355.13071	1.4
357.10971	5.9
358.11081	0.6
369.10745	0.9
371.12360	2.9
372.12982	1.0
378.18433	0.5
389.13251	0.9
399.11642	0.8
399.16666	14.1
400.16852	1.1
493.18274	1.2
517.18665	2.7
533.18744	0.7
561.17310	2.5
562.18213	0.7
575.18701	1.3
593.20660	1.0
627.81970	0.6
655.23834	3.0
656.24292	0.7
679.23865	9.8
680.24182	2.1
695.23114	1.0
705.21326	0.8
713.23737	0.8
723.22723	100.0
724.23016	20.7
737.24396	15.6
738.24860	3.6
755.25458	29.3
756.25836	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	799.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01379	31.1
60.01722	0.6
67.99769	0.5
68.99823	0.8
69.48779	6.3
71.01388	32.6
72.99322	1.2
73.02953	7.8
75.00873	1.0
80.63636	0.7
83.01386	3.4
85.02959	12.9
86.00085	1.3
87.00896	7.0
89.02455	13.1
92.05082	0.6
93.03477	0.8
94.06634	9.4
95.01366	3.0
97.02937	1.1
99.00866	1.7
101.02460	18.3
104.05090	1.5
106.06638	2.8
108.04564	3.4
113.02469	13.1
115.00398	3.5
116.05018	0.8
119.03509	5.1
119.04986	1.2
122.06118	2.2
124.07708	10.0
124.08539	1.1
125.02437	1.4
129.01848	0.6
131.03537	7.7
132.04576	21.6
133.01457	7.7
133.04901	0.9
134.03767	6.3
135.04570	0.7
143.03499	2.1
144.04544	0.9
145.05382	0.9
146.06087	0.8
148.04021	1.6
149.04625	0.8
150.05644	3.2
154.99753	0.7
158.02461	1.3
158.06160	1.0
159.03024	1.2
160.04048	1.8
161.04582	10.0
163.04063	1.0
168.06691	20.7
174.05612	0.8
176.03514	5.3
179.05664	2.9
180.06660	2.2
182.08286	1.0
188.03539	2.3
189.04381	3.1
190.05156	4.6
193.03506	1.0
193.05092	8.8
209.10773	1.0
210.09225	1.8
213.10396	1.7
221.06702	7.1
223.06117	1.3
233.39444	0.6
237.10347	30.7
238.10657	2.7
239.11896	2.2
243.11292	1.6
249.10402	0.7
251.11890	1.2
253.09837	2.2
254.08205	4.1
255.11221	1.5
265.09628	2.6
267.11368	18.5
269.12946	7.5
277.09546	0.6
281.09311	7.6
282.09570	0.7
283.10751	2.5
284.09106	1.2
285.12457	2.8
287.10431	0.7
287.13748	0.9
289.12048	3.4
295.10846	7.7
296.11154	0.9
297.12411	1.3
300.02765	1.0
309.05930	1.0
311.10376	34.6
312.10754	4.0
313.11935	16.8
314.12247	1.5
325.11954	2.0
327.08997	1.6
329.11508	0.8
331.12891	1.4
339.09900	13.0
340.10275	1.1
355.09265	5.0
355.12872	1.2
357.11050	5.1
371.12430	2.3
399.11868	0.9
493.18027	0.8
517.18042	2.5
561.17206	2.1
583.92297	0.7
593.19165	1.0
609.14471	0.9
655.23657	4.9
679.23761	11.8
680.24048	2.6
695.23322	1.0
705.20276	0.7
723.22668	100.0
724.23065	21.4
724.33173	0.6
737.24384	6.0
738.24402	1.3
755.25409	28.8
756.25665	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	797.29
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
61.98822	0.6
68.36567	0.1
69.68362	1.2
70.26210	0.1
71.01387	14.1
72.99319	0.5
73.02953	0.9
78.27055	0.1
83.01405	0.5
85.02963	0.3
87.00898	0.2
89.02465	0.5
89.03977	0.1
90.55177	0.1
93.03482	0.5
98.19920	0.2
101.02444	1.1
106.06646	0.7
107.52917	0.1
113.02486	0.5
115.00391	9.1
116.00774	0.2
116.07201	0.4
117.03496	0.6
119.05045	41.6
120.05379	1.7
127.05150	0.3
129.77040	0.1
133.01453	13.0
133.12164	0.1
134.01794	0.2
134.03761	6.3
135.04427	0.5
143.11870	0.2
149.04581	0.3
149.06108	0.6
150.05612	0.4
161.04587	0.7
163.04030	100.0
164.04376	4.6
165.01965	0.3
178.02696	0.4
179.03455	0.3
193.05089	10.3
194.05412	1.0
203.10736	0.2
214.99789	0.1
221.06691	0.3
221.11815	0.3
240.90700	0.1
273.95624	0.2
277.15573	0.2
277.88025	0.2
279.05090	6.5
280.05457	0.6
300.02682	0.2
307.21426	0.1
309.06219	0.6
407.68152	0.1
443.19373	0.2
508.99817	0.1
518.15057	0.6
714.99536	0.2
779.40814	0.3
797.41351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39651	0.7
57.03442	2.1
58.00599	1.2
59.01380	28.3
61.98825	2.9
69.03449	0.9
71.01388	36.0
71.74261	1.0
72.01722	0.8
72.99316	2.7
73.02958	11.7
83.01406	4.8
85.02962	11.4
86.00109	2.1
87.00888	8.7
88.43785	0.7
89.02457	12.3
94.06644	8.0
95.01385	2.6
96.95995	1.4
99.00893	2.7
101.02462	18.2
106.06627	1.8
111.00945	1.0
113.02473	12.6
115.00382	10.0
116.92847	1.1
119.03522	3.2
119.05051	1.4
120.01229	0.6
122.06151	1.3
124.07705	7.1
125.02441	1.7
127.05183	0.7
128.03589	1.2
130.03040	2.0
130.08711	0.8
131.03546	6.7
131.31371	0.7
133.00444	1.2
133.01459	22.1
133.02937	1.0
135.04558	6.4
138.05550	0.9
140.03970	0.7
143.03513	1.3
149.04535	1.3
150.03271	0.8
150.05629	0.7
152.07140	1.1
152.87738	0.7
159.03018	1.9
160.04079	5.3
161.04626	9.0
162.05670	8.4
163.03967	0.9
164.04776	0.9
165.02045	0.7
165.05576	0.9
168.06680	7.6
174.02000	7.8
175.02469	1.8
176.07156	0.9
179.03526	6.7
179.05582	1.9
179.07077	1.3
181.12399	1.5
186.02000	1.6
187.02794	3.0
190.05145	0.8
195.06653	1.1
206.04590	3.1
218.04665	1.1
219.01843	1.5
219.05263	1.8
221.06651	5.3
232.06107	0.9
234.03911	1.1
235.08958	0.7
237.06757	0.7
239.12813	0.7
240.10352	1.6
249.03110	0.9
251.04405	1.4
251.08199	1.0
252.06714	3.4
253.09608	1.5
255.02940	0.8
267.11359	20.2
268.11743	1.3
269.12949	1.3
270.11264	0.7
271.02411	2.8
279.07776	18.0
279.10803	1.0
280.08148	1.4
281.06226	0.7
281.09375	2.4
281.12704	1.1
283.10925	0.9
284.09225	2.7
293.09290	1.0
295.04581	0.9
297.12534	1.4
299.13947	2.1
300.02719	3.0
309.08823	35.0
310.09122	2.9
310.44547	0.8
311.10391	35.1
312.10675	3.6
313.11856	2.0
314.10315	1.5
319.07379	1.2
323.10403	1.0
325.11865	2.6
337.08316	14.7
338.08691	1.4
341.11417	20.9
342.11636	2.6
343.13074	7.2
344.13367	1.0
351.09845	1.2
353.07785	8.8
353.11658	1.0
355.09311	3.9
369.11081	7.5
370.11157	1.1
385.10388	4.4
387.11847	2.7
391.13733	0.9
487.25461	1.2
549.21405	1.3
559.15613	2.5
569.20673	1.1
591.18597	0.9
721.21149	100.0
722.21393	21.8
722.33942	1.1
753.23901	68.3
754.24237	14.6
797.22333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
60.93346	0.3
63.29713	0.3
66.09027	0.3
66.18770	0.3
71.01387	12.3
71.71425	0.4
71.71827	0.5
72.99322	2.6
75.00876	1.5
78.31441	0.2
81.64544	0.3
83.01382	2.7
85.02976	0.6
87.00885	3.8
89.02487	1.6
93.03479	2.4
94.40140	0.3
96.96040	2.4
99.00880	0.7
101.02454	0.4
107.05057	0.4
111.00902	0.9
113.02452	0.6
115.00391	42.3
116.00735	0.9
117.03470	0.5
119.05050	1.7
122.70779	0.2
125.56440	0.3
127.00441	0.5
132.05817	0.3
133.01453	100.0
133.06610	12.3
134.01813	1.9
134.03781	2.2
134.06969	0.4
135.04543	27.6
136.04900	1.2
139.00412	0.8
145.02982	0.6
145.06573	0.6
147.04553	0.8
148.05287	0.4
149.06110	2.0
156.00638	0.3
157.01460	1.2
161.06110	0.3
173.06075	1.8
174.01723	2.1
175.02499	21.2
176.02855	0.6
176.74690	0.3
177.05582	4.9
178.06004	0.3
179.03514	24.9
180.03877	1.2
181.83205	0.3
190.02753	0.6
191.03418	0.7
191.07153	3.2
193.05090	0.4
206.24274	0.3
215.07077	0.8
221.04544	5.9
233.08212	4.5
234.08708	0.3
249.07649	0.5
259.06140	1.0
279.05078	0.3
295.04608	8.3
296.04846	0.7
353.08997	1.6
359.21756	0.3
383.09842	12.6
384.10248	0.9
385.11426	0.4
395.13589	0.4
397.11163	0.6
441.10309	5.2
442.10583	0.6
457.13763	0.8
465.10223	2.2
465.15500	0.3
466.10663	0.6
483.11438	0.7
501.12476	6.4
501.27335	0.4
502.12851	0.9
522.55731	0.3
616.62390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
63.96235	0.7
64.97009	0.4
66.58314	0.2
70.59544	0.5
71.01389	1.2
73.98324	0.5
74.99102	39.5
75.99437	0.6
79.95744	13.3
80.96519	2.8
85.02940	1.5
88.17976	0.2
89.02442	0.5
95.95240	46.9
96.96021	87.0
97.95970	0.2
98.19998	0.2
101.02456	0.9
111.92928	0.3
115.00408	0.7
119.03514	0.8
126.68533	0.2
127.92464	0.6
128.93268	0.4
129.87177	0.3
132.04579	0.4
133.01428	2.8
135.04529	0.6
138.97095	1.3
138.97992	0.3
152.95279	0.3
166.03339	2.9
179.03534	0.6
195.03378	1.3
212.00217	0.7
214.98425	0.8
259.01245	2.3
274.98911	1.2
295.04712	0.3
323.71649	0.3
328.08414	0.3
377.89691	0.3
408.04279	100.0
409.04599	9.0
410.04562	0.3
577.56348	0.2
748.75085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
71.01387	10.4
71.19621	0.1
71.73071	0.2
72.01700	0.2
72.99311	1.6
74.99106	0.3
81.86533	0.1
87.00877	0.4
89.02445	1.3
94.50039	0.1
95.95254	0.3
96.96038	0.8
105.03452	0.2
105.34348	0.1
107.04994	0.3
109.02977	0.2
115.00388	30.3
116.00728	0.6
117.03468	0.2
119.05040	1.5
133.01451	100.0
134.01782	2.2
134.03787	1.3
135.04541	22.8
136.04849	0.9
139.00450	0.2
149.06133	0.8
161.02457	0.3
161.06062	0.1
163.02708	0.3
163.04028	3.5
165.01849	0.2
177.01953	0.7
178.02397	0.2
179.03514	25.3
180.03871	1.4
180.94653	0.2
193.05067	0.6
219.03024	0.2
223.04550	0.2
237.04047	0.5
259.02509	0.5
271.96219	0.1
275.27167	0.1
279.05188	0.4
295.04590	9.3
296.04868	1.0
324.05377	0.1
337.05667	0.7
338.05664	0.2
408.04144	0.5
409.04688	0.3
410.04230	0.2
439.08527	0.2
481.09836	3.5
482.10120	0.5
499.10754	0.5
550.78455	0.2
556.86401	0.1
687.60718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98828	0.5
71.01392	0.1
71.20462	0.1
71.92657	0.1
73.02950	5.6
75.00883	0.3
87.00915	0.1
89.02456	0.1
99.00891	1.4
99.92595	9.1
100.92613	0.6
100.93230	0.1
114.93429	0.4
115.00382	0.3
116.03590	0.1
116.19852	0.1
116.92877	100.0
116.97221	0.8
117.01948	11.3
117.92881	6.1
118.02283	0.2
118.05116	0.1
119.28474	0.1
159.68259	0.1
234.38078	0.1
256.82806	0.1
277.21747	0.3
280.44452	0.1
397.13522	0.1
430.97714	0.1
793.51593	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98837	0.4
71.01377	0.2
71.19922	0.2
73.02952	4.2
75.00881	0.2
80.96522	0.1
99.00896	0.7
99.92598	9.2
100.92610	0.5
100.93298	0.1
114.93436	0.4
115.00387	0.3
116.92879	100.0
116.97231	1.4
117.01951	7.3
117.05603	0.1
117.92888	5.6
118.02367	0.2
118.05117	0.1
131.91615	0.1
147.04974	0.1
191.97160	0.1
215.07222	0.1
231.24091	0.1
277.21713	0.1
335.17648	0.2
397.13696	0.2
793.51459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
57.03446	2.8
58.00587	0.7
59.01382	33.7
61.16815	0.5
61.98832	5.8
64.16399	0.6
69.03453	0.9
71.01388	41.1
71.72254	1.0
72.01744	0.8
72.99303	3.7
73.02953	12.2
75.00896	1.0
78.95908	1.1
79.05538	0.8
80.40945	0.6
81.03481	0.8
83.01402	11.9
83.05046	1.2
85.02961	16.8
86.00101	0.8
87.00887	34.4
87.04507	0.6
88.01260	0.6
89.01910	1.0
89.02458	17.3
95.01399	3.2
96.96009	1.9
97.02943	1.6
97.06570	0.6
98.02507	0.8
99.00910	4.2
99.04568	1.3
101.02464	19.3
111.00909	7.4
113.02472	23.7
115.00394	75.0
116.00703	1.5
119.03504	6.0
119.04982	0.6
124.04005	0.8
125.02452	1.7
127.00362	1.0
127.05164	1.1
128.03566	1.0
129.01958	1.4
131.03523	10.1
133.01430	1.8
133.10252	0.7
135.04530	2.0
135.11841	6.1
137.02481	1.0
139.00403	8.8
143.03514	2.7
154.98698	0.6
154.99872	2.2
157.00327	0.8
157.01479	11.8
159.03009	1.6
159.08154	2.0
159.11835	1.8
161.04582	15.4
161.09752	8.9
164.07257	0.7
165.01950	1.1
175.02501	31.9
176.02811	1.5
177.12904	0.7
179.03987	0.9
179.05623	11.0
179.10797	26.8
180.11153	1.4
193.05017	0.7
195.06648	1.1
200.98331	0.6
203.05531	1.0
203.10767	1.8
205.08733	2.5
221.06676	15.8
221.11856	1.5
222.07040	1.0
223.09776	3.3
224.10161	0.6
229.08690	2.0
247.09636	0.9
263.07724	6.0
265.10782	1.2
351.70618	0.8
363.10883	6.7
364.11316	1.2
381.11884	3.8
383.17114	1.3
385.15045	1.3
399.10822	0.7
407.13376	0.8
427.15964	2.8
568.23669	0.6
571.20319	1.0
589.21411	13.2
590.21979	2.6
591.22192	0.8
688.71423	0.7
705.22742	2.5
747.23688	100.0
748.24115	23.1
790.88336	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	789.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03437	0.2
59.01082	0.4
59.01379	7.0
60.72466	0.2
61.98840	1.1
70.41396	0.2
71.01386	18.0
71.72614	0.3
72.01737	0.4
72.99308	1.5
73.02945	1.1
78.95927	0.4
80.05087	0.2
81.03490	0.3
83.01398	0.4
85.02970	0.9
86.02460	0.2
87.00895	0.8
87.04526	0.2
89.02439	1.4
89.03974	0.3
95.01414	0.2
96.96060	0.8
99.00866	0.2
99.92487	0.2
101.02470	1.8
107.05031	0.5
108.02179	0.5
109.02966	2.2
109.06583	0.2
113.02438	1.6
115.00388	36.1
116.00719	0.7
116.24575	0.2
116.92924	0.2
119.03475	0.4
121.02955	0.4
122.03783	0.4
123.04537	0.3
128.03561	0.3
133.01453	40.3
134.01799	0.9
134.03751	2.8
135.04541	100.0
136.01677	0.2
136.04860	3.5
137.02463	6.8
137.06114	1.0
138.02855	0.2
140.15472	0.2
143.03508	0.2
148.05418	0.2
149.06021	0.3
151.03926	0.2
151.07671	1.0
155.00150	0.2
159.04552	0.4
160.01683	0.4
160.04031	0.2
161.02472	0.3
161.04605	0.4
161.06094	0.9
162.03227	0.9
165.01929	0.7
165.05670	0.2
174.01912	0.2
175.02534	0.4
175.03981	0.3
177.05612	0.5
179.03520	3.8
179.05266	0.3
179.05661	0.3
180.04323	1.0
185.06094	0.2
187.07663	1.0
188.08443	0.3
193.05069	1.4
193.08684	0.2
195.06615	0.5
197.04541	0.3
223.13351	0.3
227.12897	0.2
228.10211	0.3
236.16586	0.7
237.14987	0.4
238.18135	0.8
243.13896	0.8
250.18253	0.3
252.19688	0.5
256.19275	0.4
267.12067	0.3
278.17416	0.2
285.15033	1.0
293.17477	0.2
295.04544	1.7
296.18533	0.3
303.15918	0.2
313.05734	3.8
314.05612	0.2
323.18738	0.5
337.18011	0.3
354.20724	3.5
355.19147	0.5
365.20074	0.3
372.21774	4.3
373.22052	0.7
388.11533	0.2
389.12289	0.4
420.28070	0.2
528.02356	0.2
535.37445	1.5
536.38232	0.3
549.18237	0.2
571.31128	0.3
607.33466	0.4
611.40784	26.1
612.41107	5.5
617.31842	0.2
663.21991	0.2
667.36591	0.4
685.37659	0.4
727.38733	0.4
745.39771	0.4
789.26801	0.5
789.41925	3.3
790.41425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.2
59.01380	12.4
60.62600	0.3
69.03466	0.3
69.68304	2.1
71.01379	5.4
73.02951	5.5
78.95909	0.2
83.01389	1.7
85.02955	0.9
87.00896	0.3
89.02454	1.7
92.05068	0.2
94.03020	0.5
94.06666	0.4
96.08194	0.3
97.87228	0.2
101.01790	0.3
101.02456	5.3
104.05071	1.1
108.04560	0.4
113.02479	2.5
115.00375	0.4
118.02986	0.6
119.03515	0.9
120.04511	0.4
122.06145	6.3
123.06478	0.7
124.04037	0.5
124.07702	4.0
125.02475	0.4
128.18315	0.2
128.21205	0.3
130.03006	0.4
131.03615	0.9
132.04533	0.3
133.01462	0.6
134.03748	0.5
134.06149	0.6
135.04535	1.1
136.07693	11.2
137.04916	0.3
137.08032	0.4
140.07115	0.3
143.03519	0.8
148.04037	0.6
149.04594	1.6
150.05591	1.7
150.55923	0.3
151.00331	0.9
152.07144	0.5
153.09218	0.9
154.99915	0.6
161.04572	2.7
164.03525	1.7
168.06671	0.8
177.06660	0.3
178.99915	0.7
179.05629	0.3
181.03801	1.1
185.07249	1.9
187.11224	0.4
193.04987	0.5
195.09338	0.2
196.07706	1.1
198.04364	0.9
200.10791	1.0
203.05652	0.3
205.12326	1.7
210.09279	0.7
212.10802	0.9
213.10666	0.3
221.06674	1.2
223.13359	0.6
225.06631	1.5
225.10321	0.4
226.07487	1.5
226.10925	0.5
227.08272	7.4
227.11890	1.0
228.08691	0.7
230.11919	0.5
237.10361	0.4
238.08766	0.5
239.08232	2.6
240.09024	5.4
241.09541	0.6
243.11369	5.3
244.11612	0.4
253.09798	0.7
254.10072	0.4
255.02972	0.9
255.11380	30.4
256.11792	2.5
257.09073	0.3
258.09985	0.5
271.02560	1.7
271.10883	3.5
272.08041	0.9
272.11212	2.0
273.12433	100.0
274.12778	8.9
300.02762	3.2
301.03452	1.9
315.09882	2.0
316.02411	0.3
316.10117	1.5
317.11432	75.6
318.11786	6.9
367.17615	2.8
385.18784	1.9
391.36002	0.3
427.19724	11.9
428.19974	1.6
463.06802	0.7
481.07712	0.8
609.14673	2.7
610.15063	0.6
703.40234	0.4
789.19067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
60.99310	0.4
61.98823	0.7
66.03516	0.1
69.03451	0.3
71.01388	21.5
72.01738	0.3
72.99314	1.7
73.02944	0.7
73.04095	0.2
74.02480	1.7
78.95922	0.2
83.01402	0.4
83.05095	0.2
85.02956	0.6
87.00877	0.9
87.05676	0.4
88.95857	0.1
88.98814	2.5
89.02457	1.8
93.03515	0.2
96.96011	0.2
98.20653	0.3
99.01991	0.2
101.02464	1.4
107.05055	0.4
108.02190	0.8
109.02972	2.3
109.56138	0.2
112.02779	0.3
113.02464	1.2
113.07244	0.7
114.05686	0.2
115.00389	37.8
116.00764	0.8
117.03458	0.2
119.03539	0.3
120.01292	0.3
121.02978	0.5
122.03754	0.5
123.04520	0.2
124.01640	0.2
124.53344	0.1
125.07154	0.2
126.05661	0.2
129.10358	1.1
131.03537	0.2
133.01454	41.4
134.01740	1.0
134.03769	2.1
134.66466	0.2
135.04543	100.0
136.04877	4.2
137.02463	6.5
138.02805	0.2
139.08781	0.2
149.04552	0.2
149.63994	0.2
151.00476	0.2
153.06683	0.2
154.02681	0.2
155.08295	0.4
159.04530	0.7
160.04111	0.3
160.05373	0.3
161.02425	0.2
161.04686	0.3
161.06107	1.1
162.03242	0.7
164.33098	0.2
169.09787	0.2
170.09337	1.2
173.09279	0.3
175.02507	0.5
175.07481	0.2
177.05598	0.6
179.03503	3.2
179.05264	0.2
179.05756	0.2
180.03767	0.2
181.05025	0.2
185.06073	0.1
186.12480	0.8
187.07677	1.2
188.08438	0.3
193.05086	0.2
197.04570	0.3
211.14540	0.2
221.06650	0.2
228.07764	0.2
228.10298	0.5
229.10966	0.4
234.14973	0.2
236.16531	1.5
237.14912	0.3
242.18741	1.5
243.13881	0.9
250.18085	0.3
252.19714	0.4
254.17583	0.5
278.17679	0.3
284.03329	0.4
285.04010	0.4
285.14938	1.2
295.04559	1.4
296.18619	0.3
300.13373	0.2
303.15930	0.5
313.05661	3.1
337.18091	0.5
339.08603	0.4
350.56116	0.2
354.20752	4.1
355.20840	0.5
357.13412	0.3
369.13348	0.8
372.21796	4.0
372.26135	0.3
373.22263	0.5
382.18893	0.2
396.26144	0.4
440.25208	0.5
470.25977	0.2
533.35895	1.8
534.36273	0.3
601.73865	0.2
609.39233	27.5
610.39618	6.5
627.40442	0.4
665.22632	0.4
683.39227	0.3
697.25079	0.3
711.22705	0.2
741.03687	0.2
757.42676	1.8
758.43811	0.2
769.42950	0.2
787.42896	5.5
788.42908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03466	1.0
58.00591	1.0
59.01382	24.6
61.24152	0.4
71.01388	16.7
71.73737	0.9
72.99313	1.8
73.02955	1.4
74.87933	0.4
78.95913	1.3
83.01391	1.3
83.05028	1.9
85.02966	3.0
87.00887	1.2
89.00067	0.4
89.02454	13.1
91.05534	0.7
93.07109	1.5
94.19821	0.5
95.01398	1.3
99.00926	0.6
101.02460	9.2
112.98856	1.0
113.02470	4.7
115.00389	3.1
119.03526	4.8
119.05005	0.8
127.30701	0.4
133.01450	6.4
133.10251	2.3
134.03763	4.5
135.04527	0.9
140.30711	0.4
143.03539	0.6
145.06636	3.0
149.04529	0.5
154.99857	1.3
157.10278	0.6
158.07410	0.5
159.08157	2.1
160.08963	22.7
161.04616	0.9
161.09256	1.3
168.30739	0.4
173.09769	5.2
175.11296	50.1
176.11670	3.6
177.05606	0.5
179.05606	0.8
193.05083	5.8
194.05571	0.8
219.10265	28.6
220.10538	2.6
271.02502	0.9
273.65747	0.4
300.02802	0.8
301.03391	0.8
309.06357	0.7
341.13818	0.6
345.13458	1.7
375.14508	0.7
399.16617	100.0
400.16974	11.1
439.12643	0.9
503.19339	1.1
521.20166	1.8
527.64844	0.5
537.20074	0.6
563.21417	1.3
579.21265	0.6
609.14880	1.2
669.37952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03456	0.8
58.00595	1.7
59.01380	100.0
60.01712	1.0
61.44064	0.2
61.97433	0.2
61.98830	0.6
64.77975	0.2
68.99839	0.4
69.03459	2.1
70.22987	0.9
70.23421	0.5
71.01387	44.2
72.01746	0.7
72.99306	1.9
73.02952	51.5
74.03289	0.6
75.00887	1.1
81.03469	0.6
83.01394	18.4
84.02180	0.4
85.02958	7.1
85.03444	0.4
85.62054	0.2
87.00886	3.0
89.02454	9.4
92.89198	0.3
93.03468	0.3
95.01404	2.0
96.96049	0.3
97.02968	1.2
99.00896	0.8
99.04531	0.6
101.02455	60.9
102.02815	0.9
108.02205	0.9
109.02989	0.6
111.00926	0.3
113.02467	19.4
113.30219	0.2
114.02795	0.6
115.00426	0.5
116.92902	0.7
116.95744	0.2
117.01953	0.5
117.03424	1.5
119.03519	6.1
119.05013	0.5
121.02973	2.2
123.00928	0.9
123.04544	0.6
124.01720	0.3
125.02438	2.6
131.03519	5.8
133.01431	0.5
133.02968	1.4
134.03758	0.9
135.04547	1.2
136.01677	11.3
137.02505	1.3
138.03265	0.3
143.03520	5.8
143.04608	0.6
145.02972	8.5
146.03763	2.4
147.03044	0.3
147.04527	1.7
149.02490	0.7
149.04572	8.5
150.03214	0.4
151.00397	4.0
151.04024	11.4
152.01115	0.3
152.04366	0.6
153.05594	0.3
155.03560	1.8
160.05289	0.3
161.02519	6.0
161.04579	16.0
161.06013	1.0
162.03250	35.9
163.03615	1.8
164.04837	0.4
165.05574	0.4
166.02727	12.6
166.82008	0.2
167.03246	0.9
168.04239	0.3
168.97903	0.3
175.04007	0.6
176.01234	0.3
176.04794	0.3
177.02184	0.5
177.05586	25.9
178.05951	1.0
179.03490	0.5
179.05653	1.0
179.07066	0.4
180.04282	0.9
181.05077	14.7
182.05437	0.4
189.01875	0.3
189.05623	0.7
190.06329	0.9
191.03523	0.8
191.07191	0.4
192.04170	0.4
193.05034	0.6
195.06644	1.6
200.73801	0.2
203.05591	1.8
205.05122	0.4
205.08707	0.5
206.05774	0.4
207.06567	0.6
214.90181	0.2
219.06639	1.9
221.06599	2.9
221.08397	0.3
223.06177	0.4
249.07829	0.3
285.07669	0.4
287.72955	0.3
329.10220	0.4
339.10925	2.1
341.10287	0.4
342.11279	0.3
356.12759	0.6
357.09930	2.1
357.13580	0.6
369.13217	0.4
371.11279	0.3
372.11887	1.1
386.13632	0.5
387.14505	10.0
388.14911	1.1
399.13022	1.0
493.51440	0.3
495.25674	0.3
547.19635	12.9
548.19922	2.0
727.26093	0.5
743.41187	0.3
787.27478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03444	2.9
59.01381	48.5
61.64775	1.3
70.75043	4.8
71.01387	58.0
72.99307	4.4
73.02962	16.8
75.00900	1.7
78.95905	6.7
80.05070	3.5
83.01405	6.5
83.71674	1.4
85.02963	19.7
86.00105	2.5
87.00880	14.3
89.02451	29.2
92.05096	3.9
94.06633	16.9
95.01391	3.6
96.96968	7.2
97.02981	2.2
99.00900	5.9
101.02461	34.4
104.05087	4.9
106.06641	12.2
111.00928	1.6
112.98862	1.8
113.02457	20.7
113.06590	1.6
115.00394	9.1
119.03525	10.3
119.05005	8.5
119.72827	1.9
120.04546	2.0
121.94798	1.5
122.06147	4.9
124.07681	20.1
125.02467	3.4
125.08058	1.6
131.03546	11.4
132.04578	75.4
133.01459	16.9
133.04926	3.8
134.03773	18.9
134.06116	11.1
135.04448	4.6
138.05597	3.5
143.03525	4.9
150.05627	36.5
151.05911	1.9
159.03038	2.4
159.30760	1.5
161.04582	19.7
163.04030	13.6
164.04384	2.6
164.07234	1.4
168.06674	54.3
176.03531	4.5
176.07146	1.5
179.03561	2.2
179.05643	5.5
180.06711	20.4
182.08260	3.5
185.10823	2.9
193.05054	30.6
194.05394	3.3
194.11554	1.5
195.05444	2.0
196.97789	1.3
210.07724	2.3
211.12407	2.4
212.10904	1.4
215.64114	1.4
218.85281	1.7
221.06676	19.0
223.08807	4.0
224.09528	2.6
224.62604	1.5
227.11838	2.8
237.10349	11.5
238.10742	1.8
239.11902	47.8
240.02005	1.3
240.12244	6.3
243.02974	1.7
249.10425	3.5
251.11861	1.6
255.11383	41.0
256.11761	4.0
265.09924	3.9
267.11374	22.5
268.11853	2.0
269.12936	37.8
270.13297	4.0
271.02707	1.9
271.94638	1.4
277.09830	2.7
278.97202	1.4
283.10837	12.1
284.11078	2.2
285.12466	39.6
286.12888	2.8
287.02069	4.3
287.14044	5.6
295.10867	14.7
299.02011	2.6
309.06024	3.4
311.10385	8.1
313.11954	60.4
314.04282	1.7
314.12216	7.2
315.01492	8.4
315.04980	2.7
315.13297	7.8
316.02029	3.4
325.11627	2.1
327.13666	1.9
329.11459	10.4
331.12988	31.8
332.13434	2.2
355.12921	6.0
373.14078	6.4
397.14203	2.6
415.15219	4.4
445.16342	2.4
457.16168	3.6
475.17209	11.0
476.17462	2.0
487.16998	3.9
493.18097	5.8
494.18414	2.6
517.18250	40.2
518.18774	8.5
519.19598	2.9
535.19196	25.3
536.19287	2.6
619.21558	3.0
637.22290	15.4
637.31183	1.8
655.23596	8.4
679.11975	3.3
679.23773	78.0
680.23834	14.6
697.24829	100.0
698.25360	21.8
723.22723	4.9
765.32971	2.0
785.21844	6.5
785.38177	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	784.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74766	0.2
59.01379	3.0
59.56236	0.2
62.96415	0.9
69.86259	1.7
71.01389	5.4
72.99317	0.3
73.02950	0.4
78.95911	100.0
85.02952	0.8
87.00909	0.4
89.02471	1.0
93.03498	0.3
96.96975	67.9
98.02423	0.3
98.20538	0.4
101.02463	1.2
113.02484	0.6
115.00385	4.4
116.00726	0.3
117.03450	0.3
119.03573	0.3
119.05039	2.9
120.05386	0.4
124.07733	0.4
126.13960	0.3
128.03543	0.4
131.03502	0.3
132.04565	0.8
133.01450	11.2
133.03004	0.9
134.01793	0.6
134.03740	4.2
134.04750	6.8
134.98579	0.5
135.04605	1.7
136.04915	0.3
138.98036	1.0
143.03571	0.3
149.06087	0.4
150.98048	1.2
158.92563	8.4
159.06378	0.3
161.04543	0.4
162.03336	0.3
162.98051	3.5
163.04034	4.8
164.04370	0.7
168.06696	0.3
174.98059	0.6
176.93613	0.7
176.99548	0.3
177.01929	0.3
177.05560	0.3
178.02641	0.3
179.03503	2.2
180.99104	9.7
181.99423	0.3
184.08763	0.3
192.99121	0.5
193.05092	7.1
193.06769	0.5
194.05411	2.0
195.00652	2.2
198.06746	0.9
199.00185	0.2
211.00104	1.0
212.08357	1.5
221.11772	0.7
223.06316	0.3
224.25739	0.2
227.52776	0.3
239.11977	0.6
241.07310	3.6
243.08893	0.6
255.08910	2.6
255.11234	0.4
256.09134	0.5
267.11444	0.3
272.95651	2.4
279.05054	0.4
285.12439	0.3
293.11880	0.3
295.04623	0.4
309.06201	0.4
313.11902	0.5
346.05579	22.5
347.05811	1.5
408.01147	1.9
437.08667	30.1
438.08939	4.7
455.09674	0.5
517.05505	1.3
517.18042	0.5
535.18829	0.3
579.21399	0.3
626.53357	0.3
679.23547	1.2
697.24799	1.1
784.15240	9.6
785.15417	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	784.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45263	0.2
59.01380	8.8
62.96402	0.6
63.88378	0.2
69.03457	0.2
69.59438	1.8
70.01534	0.2
71.01382	6.2
72.94247	0.2
72.99309	0.6
73.02956	3.0
78.95909	100.0
83.01365	1.0
85.02960	1.2
87.00887	0.2
89.02441	1.7
93.03476	0.5
95.01442	0.3
96.96973	66.3
101.02462	3.8
106.66737	0.2
109.02959	0.3
113.02462	1.7
115.00391	4.4
117.03464	0.2
119.03498	0.7
119.05031	1.9
120.05322	0.2
121.02940	0.5
122.03736	1.0
123.04498	0.3
124.07719	0.2
125.02490	0.3
128.03543	0.6
131.03555	0.4
132.04558	0.6
133.01453	11.5
133.02992	0.5
134.01750	0.4
134.03738	2.1
134.04741	5.9
134.98572	0.4
135.04532	1.9
138.98038	1.3
143.03525	0.4
149.01271	0.3
149.02452	4.6
149.04459	0.9
149.06012	0.2
150.03236	6.6
150.05576	0.3
150.98061	1.3
158.92554	8.2
161.04555	1.4
161.05977	0.4
162.98030	2.9
163.04022	4.2
164.04828	1.9
165.05580	7.2
168.06642	0.4
174.97990	0.6
175.02422	0.3
176.93599	1.1
176.99611	0.3
177.01952	0.2
177.05496	0.2
178.02696	0.2
179.03503	2.0
179.05057	0.3
179.05589	0.3
179.07068	0.4
180.04343	0.4
180.99089	9.1
181.99480	0.2
184.08693	0.3
192.99042	0.5
193.05054	2.9
194.05440	0.3
195.00670	2.1
195.06601	1.9
198.06683	1.2
203.05652	0.3
205.08766	0.2
211.00092	0.9
212.08286	1.5
221.06718	1.3
221.11813	0.4
233.01828	0.2
239.11954	0.3
241.07281	3.1
255.08862	3.9
255.11407	0.4
260.95673	0.3
269.12848	0.3
272.95667	1.7
274.97260	0.3
279.05121	0.3
283.09845	0.3
285.12360	0.3
295.04590	0.5
312.10010	1.7
313.11801	0.4
314.04315	0.4
327.08551	0.4
327.12350	7.4
346.05576	23.1
347.05817	1.6
359.07605	0.3
375.14496	0.5
387.89450	0.2
408.01181	2.1
437.08667	31.4
438.08994	3.5
455.09412	0.4
469.95154	0.2
471.16550	0.5
504.25894	0.2
517.05048	1.4
517.18243	0.3
519.18628	0.7
531.18738	1.4
535.19476	0.2
537.19629	1.8
552.15906	0.4
553.84790	0.2
579.20850	14.3
623.16022	0.3
679.23816	0.5
697.24957	0.9
784.15240	10.2
784.38800	0.5
785.15466	2.1
785.39636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.48091	0.1
66.49471	0.1
71.01386	15.5
71.72490	0.1
71.72863	0.2
72.01726	0.3
72.99316	0.3
73.02950	1.1
78.95898	0.4
83.01402	0.4
85.02954	0.4
87.00899	0.2
89.02482	0.6
89.03978	0.9
95.01411	0.2
96.96978	0.3
101.02463	1.3
111.00914	0.2
113.02478	0.7
115.00392	7.0
116.00718	0.2
117.03479	4.5
118.03854	0.2
119.03539	0.2
121.02956	0.3
130.08812	0.1
131.03545	0.2
133.01448	4.6
133.03027	0.4
134.03757	51.0
135.04085	3.2
136.04309	0.3
137.02473	1.2
139.04086	0.3
143.03557	0.2
149.02487	0.4
149.04655	0.4
149.06100	5.5
150.03293	0.2
150.06438	0.3
154.99870	0.3
159.59021	0.1
161.04596	1.2
164.04790	0.3
166.26761	0.1
176.72583	0.1
178.02725	4.6
179.03093	0.3
192.67241	0.1
193.05070	100.0
194.05403	6.5
195.05591	0.6
205.12540	0.2
221.06670	0.3
223.06133	0.8
309.06152	5.6
310.06482	0.7
346.05515	0.2
367.17273	0.2
427.19684	0.1
428.20090	0.2
429.20770	0.2
437.09103	0.2
473.27328	0.2
527.69232	0.1
551.15704	0.3
591.49622	0.1
753.35901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03440	1.7
58.00593	1.1
59.01379	29.1
61.98818	1.2
65.22396	0.4
68.99814	1.6
69.03454	0.9
70.30246	1.0
70.30672	1.1
71.01387	35.1
72.01722	0.9
72.99304	1.6
73.02951	9.4
73.34708	0.4
75.00869	0.5
75.75528	0.5
78.03500	0.5
78.95906	0.9
79.67745	0.4
80.05035	0.5
83.01402	4.2
85.02962	12.6
86.00089	2.1
86.03312	0.4
87.00886	9.2
89.02454	16.6
95.01395	3.0
96.96028	0.7
96.96990	0.9
97.02956	1.5
99.00883	3.8
101.02457	20.2
102.02792	0.6
104.05075	1.5
106.06641	18.8
107.06967	0.8
108.04547	2.4
108.08205	19.0
111.00897	0.8
113.02465	14.8
114.02813	0.5
115.00381	1.4
119.03539	4.1
125.02458	2.1
128.03574	0.6
128.37360	0.4
129.01944	0.8
131.03514	9.3
132.04575	23.2
133.01448	1.0
133.04926	0.7
134.06114	1.4
143.03557	2.7
144.04555	1.6
145.05365	1.2
146.06091	1.3
148.04028	1.7
149.04552	0.7
150.05621	2.2
152.07187	19.4
153.07512	0.8
158.02466	2.0
159.03064	2.2
160.04092	2.0
161.04585	11.0
164.07173	2.3
166.08737	1.4
174.01955	0.6
175.02567	0.7
176.03557	4.4
179.05606	2.8
186.85686	0.4
188.03491	1.5
189.04355	4.1
190.05099	8.5
191.05496	0.6
194.06113	0.7
196.64058	0.4
203.05630	0.7
214.68776	0.5
221.03368	0.7
221.06680	6.8
224.10788	1.6
225.10872	0.5
226.12355	0.7
235.08821	0.8
240.10152	0.5
251.11928	6.3
253.13472	8.7
254.08112	0.6
254.13797	0.9
255.11340	1.3
263.07654	0.5
267.11377	0.9
268.09848	1.2
269.12906	1.1
271.14456	0.9
273.12463	2.4
279.11398	27.4
280.11810	3.0
295.10889	17.2
296.11249	1.3
297.12469	18.3
298.12708	2.0
311.13977	2.8
315.13464	1.3
321.08795	1.0
323.10373	34.9
324.10620	3.0
337.11945	9.7
338.12314	1.1
339.09781	1.8
339.13388	1.7
341.11523	4.6
346.05560	0.7
355.12979	3.5
361.18802	0.5
373.13934	0.6
373.25876	1.1
383.12366	0.8
397.13480	0.5
435.17902	0.6
437.08609	0.6
459.17731	0.6
477.18820	1.4
501.18661	1.6
517.18140	0.7
517.30426	0.5
535.31329	1.6
536.31195	0.5
545.17609	3.4
559.19568	1.0
577.19745	0.9
577.32202	2.6
605.35840	0.6
623.40967	2.1
630.84381	0.4
639.24194	4.8
640.24286	1.0
652.49719	0.4
663.24268	13.7
664.24652	2.4
665.22437	0.9
667.39282	0.6
679.23773	1.7
679.35468	0.7
689.21509	1.0
697.37109	0.5
707.23224	100.0
708.23529	19.1
721.24835	13.4
722.24878	3.1
739.25763	21.1
739.36737	0.8
740.26208	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	783.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
71.01385	8.8
71.72338	0.2
72.99313	1.6
74.99113	0.3
78.95898	0.2
85.02982	0.3
87.00901	0.7
89.02443	1.5
95.47120	0.2
95.95234	0.3
96.00910	0.2
96.96020	0.8
96.96976	0.2
107.05037	0.4
115.00388	27.9
116.00727	0.6
119.05023	0.2
133.01450	100.0
134.01785	2.6
134.03783	1.6
135.04543	21.9
136.04861	0.9
163.04047	0.5
177.01970	0.5
179.03513	26.5
180.03868	1.3
295.04587	8.1
296.04919	0.6
359.60443	0.2
408.04263	0.7
463.32626	0.2
487.25369	0.2
631.43353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.1
59.01377	19.6
69.03484	0.4
71.01384	17.9
71.73260	0.4
71.73646	0.5
72.99306	1.7
73.02950	5.2
78.95914	2.9
82.03001	0.4
82.74850	0.3
83.01392	1.8
85.02932	1.8
85.32452	0.4
87.00887	1.1
89.02447	2.8
93.03526	0.5
95.01391	0.5
95.05033	0.6
96.00970	0.4
96.96968	2.1
97.02972	0.5
99.00881	0.4
101.01839	0.7
101.02444	5.3
105.03458	0.6
108.02173	0.6
109.02966	0.5
109.06557	0.4
113.02455	2.4
115.00385	33.8
116.00718	0.8
117.03481	0.5
119.03485	0.9
119.05020	1.1
120.01287	0.7
123.04526	1.0
123.08163	2.5
127.05128	0.4
128.03566	1.6
131.03542	0.9
133.01447	100.0
133.02859	3.9
134.01779	2.2
134.03783	2.4
135.04538	26.6
135.08215	0.6
136.04884	1.3
137.02425	0.4
139.07703	0.8
143.03513	0.8
144.74510	0.4
148.05368	0.7
149.04527	2.1
151.07671	7.3
151.36813	0.4
153.09175	1.7
160.08951	0.7
161.04543	3.1
161.09724	2.8
163.03995	1.1
163.07669	5.5
165.09206	2.4
173.09824	0.6
177.01936	2.6
177.09203	2.0
179.03510	22.2
179.10768	5.4
180.03906	1.1
180.11240	0.4
181.08611	0.4
187.07594	0.7
188.08438	2.7
193.04984	0.7
193.12422	0.4
203.05637	0.9
203.10777	25.6
204.11143	1.5
213.98169	0.4
219.10344	0.4
221.07155	0.9
221.11827	43.8
222.12181	3.2
239.12805	2.1
280.55612	0.4
295.04614	4.7
346.05695	0.8
365.16171	1.1
374.25098	0.4
383.17120	0.8
425.18185	2.5
426.18927	0.5
437.08533	1.2
443.19247	4.3
444.19693	0.5
486.25568	0.9
487.24927	1.3
551.15594	0.7
610.82599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
61.07070	0.3
71.01385	16.8
71.91420	0.3
72.01747	0.3
72.99312	1.7
73.02937	1.6
83.01408	0.5
87.00906	0.4
89.02457	1.7
89.03993	0.7
90.13495	0.3
90.27296	0.3
93.86407	0.3
101.02457	1.8
106.04305	0.3
113.02454	0.5
115.00387	34.9
116.00761	0.7
117.03449	2.7
133.01450	92.0
134.01767	1.8
134.03755	78.3
135.04080	3.5
137.02440	0.3
149.04449	0.3
149.04778	0.4
149.06100	4.1
150.06610	0.3
153.09181	0.6
155.62708	0.3
161.04608	1.0
178.02733	1.1
193.05070	100.0
194.05408	5.7
205.12354	0.6
221.06798	0.7
308.50110	0.3
309.06161	13.8
310.06567	0.8
367.17618	0.7
427.19601	1.5
440.21710	0.3
605.71570	0.3
609.14478	0.3
610.12469	0.3
690.67389	0.4
769.83759	0.3
795.11511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01379	47.9
60.01697	0.5
61.98832	0.6
69.03479	0.4
69.24122	0.3
70.85355	0.9
71.01385	30.3
72.99316	1.3
73.02946	4.9
78.95906	0.6
83.01387	2.7
85.02962	5.0
87.00909	0.8
89.02451	5.3
89.03988	1.3
95.01413	1.4
96.96029	0.4
96.96989	0.3
99.00896	0.8
101.02456	10.9
102.00408	0.3
106.04234	0.4
111.00946	0.5
113.02460	11.6
113.99602	0.5
114.02033	0.3
114.02807	0.3
115.00389	12.0
116.00723	0.3
117.03482	5.9
119.03534	2.3
119.05042	0.7
121.02924	0.4
128.03525	0.5
130.06296	0.3
131.03543	1.2
133.01448	21.8
134.03758	72.3
135.04031	2.7
137.02486	1.2
138.06885	0.5
139.03996	0.4
142.47502	0.3
143.03513	1.8
147.08185	0.4
149.04594	3.4
149.06110	6.9
150.06462	0.5
151.07729	0.5
152.08447	1.3
153.09224	4.5
156.00735	0.5
161.04570	7.5
163.04016	0.9
174.01714	0.5
175.02518	0.5
177.01979	0.5
178.02745	5.7
179.03482	0.4
179.05611	0.8
187.11285	0.5
193.05080	100.0
194.05405	6.6
203.05547	0.5
205.12323	5.2
221.06685	3.1
223.13361	1.9
244.96086	0.3
309.06155	6.5
310.06308	0.5
353.10220	0.6
367.17630	15.6
368.18124	2.0
371.11334	0.5
385.18564	4.1
386.18829	0.5
427.19724	11.5
428.20270	1.8
471.27399	0.3
600.73785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54336	0.2
55.24903	0.2
59.01387	1.1
62.96423	0.2
67.71537	0.1
70.73508	0.2
71.01382	0.9
78.95911	42.8
85.02929	0.2
89.02451	1.3
96.96078	6.4
96.96975	100.0
101.02441	0.4
110.12270	0.1
110.59954	0.2
113.02474	0.4
119.03477	0.4
126.91694	0.1
131.03584	0.2
133.01440	0.3
143.03500	0.2
179.05595	0.5
341.10938	3.6
342.11337	0.3
394.80820	0.2
398.79770	0.2
439.08578	28.1
440.08948	2.4
450.43607	0.2
464.15735	0.2
479.82886	0.2
597.65485	0.2
781.24512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
62.96404	0.3
63.77055	0.2
71.01373	1.2
71.71349	0.4
74.45721	0.2
78.95911	43.8
83.47636	0.2
89.02448	2.0
96.96976	100.0
101.02448	0.5
113.02489	0.8
119.03532	0.7
127.48259	0.2
164.27531	0.2
177.93925	0.2
179.05692	0.3
179.15681	0.2
199.96790	0.3
221.46852	0.2
286.91229	0.2
334.23438	0.2
341.10938	4.4
342.11377	0.3
344.72534	0.2
439.08575	28.2
440.08871	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	779.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68170	0.2
61.98823	0.6
70.50912	0.2
71.72186	0.3
73.08969	0.2
75.06915	0.2
79.95739	1.7
95.95280	0.4
96.96022	67.3
99.95062	0.2
101.59691	0.2
119.52722	0.2
142.43477	0.2
174.97792	0.3
265.14771	100.0
266.15085	7.9
277.23904	0.2
407.82269	0.3
409.39716	0.2
482.30099	0.3
680.93347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
63.02812	0.1
63.53840	0.2
63.66590	0.1
66.01057	0.1
69.76312	0.5
69.76739	0.5
71.01384	10.0
72.01714	0.2
72.78262	0.1
72.99308	1.4
74.99104	0.6
79.95760	0.2
85.02946	0.1
87.00874	0.5
89.02446	1.1
91.05551	0.2
95.95245	0.6
96.96032	1.3
99.05571	0.2
101.02484	0.2
107.05052	0.5
115.00386	29.5
116.00723	0.4
117.03419	0.2
119.05066	0.4
133.01447	100.0
134.01770	2.1
134.03807	1.5
135.04536	24.7
136.04900	1.0
140.59508	0.1
158.29800	0.1
161.02408	0.2
163.04033	0.6
175.02515	0.1
177.01974	0.2
179.03511	26.6
180.03876	1.3
182.79491	0.1
193.05067	0.2
240.75906	0.1
295.04587	9.6
296.04941	0.7
408.04233	1.2
409.04715	0.5
410.04254	0.3
465.10440	0.4
491.41861	0.1
650.57214	0.2
737.81934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82397	0.2
57.03448	0.2
59.01379	9.5
61.98831	2.3
71.01389	17.1
71.15463	0.5
71.15800	0.3
72.01723	0.6
72.99322	1.4
73.02950	0.6
83.01375	0.4
85.02961	1.0
87.00887	1.2
88.98799	0.3
89.02448	1.9
93.03475	0.7
93.82350	0.3
96.00947	0.4
96.96011	0.6
101.02448	1.3
108.02154	0.2
113.02463	0.9
115.00391	27.4
116.00739	0.6
116.92847	0.3
119.05044	11.0
120.01285	0.4
120.05360	0.3
121.02974	100.0
122.03299	3.9
123.04488	0.2
133.01453	32.8
134.01772	1.0
135.04588	0.8
139.00395	0.3
143.03529	0.3
145.09846	1.1
149.09714	0.3
151.07625	0.8
161.04681	0.3
162.06915	0.3
163.04036	3.9
175.02460	1.0
175.07570	0.3
175.57275	0.2
177.09222	0.4
181.05083	74.6
182.05409	4.4
236.16496	2.1
237.14941	0.8
238.18130	2.4
250.18146	0.3
252.19699	2.9
256.19199	1.3
278.17514	0.8
279.05133	0.4
296.18695	2.3
297.06174	4.2
315.97058	0.3
356.22232	0.9
475.35626	0.3
493.36783	0.4
535.37445	6.7
536.38263	1.5
565.34229	0.7
571.28107	0.3
595.41345	1.4
613.41473	0.7
617.68188	0.3
657.41376	5.4
658.31384	0.4
658.41357	1.5
669.38525	0.6
687.38226	0.6
729.40588	1.0
755.41827	0.7
773.44275	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	773.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03450	0.9
58.00600	1.4
59.01379	100.0
60.01715	1.4
61.98832	2.5
63.57111	0.2
69.03457	2.2
69.51609	1.0
69.52037	1.5
71.01385	49.4
72.01734	0.6
72.02106	0.3
72.99306	2.0
73.02951	41.7
74.03297	0.6
75.00876	1.0
81.03462	0.9
83.01394	14.7
85.02961	8.2
87.00890	2.2
89.02452	14.7
89.02897	0.2
90.02768	0.3
95.01403	3.0
96.96017	0.7
97.02960	1.3
98.19806	0.5
99.00886	1.0
99.04531	0.5
101.02454	44.5
102.02778	0.9
111.00886	0.4
113.02464	26.5
114.02787	0.7
115.00384	2.6
116.92794	0.3
117.01908	0.4
119.03519	7.3
119.04931	1.2
120.01234	0.6
120.03742	0.3
121.02131	0.5
121.02973	7.2
123.04626	0.3
125.02470	2.4
131.03516	4.6
133.01448	3.0
135.04514	0.5
143.02409	0.4
143.03526	7.7
147.02939	0.4
149.04581	6.2
149.05861	0.4
151.07669	0.6
152.34782	0.2
155.03497	1.5
161.04579	12.0
162.04893	0.5
163.03972	0.4
175.02417	0.5
177.09268	0.4
179.05627	5.0
180.05986	0.3
181.03601	0.4
181.05084	5.1
181.31767	0.3
203.05618	3.2
204.05856	0.3
221.06641	3.3
252.26094	0.3
255.55621	0.3
278.11792	0.4
283.43964	0.2
293.17444	0.8
493.36169	0.3
535.37445	0.6
541.26575	1.8
565.29956	0.4
583.31555	1.8
584.30688	0.3
601.31848	1.1
625.32343	0.9
632.96912	0.3
643.33258	2.8
644.33124	0.7
657.40802	0.6
669.38947	0.5
685.35162	0.4
729.40790	1.3
773.30396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03451	1.3
58.00601	2.0
59.01382	100.0
60.01713	1.5
61.88699	0.4
61.98837	2.3
69.03465	2.3
71.01390	54.5
71.74017	0.9
72.01756	0.8
72.99316	2.7
73.02956	32.2
75.00875	1.1
83.01398	11.3
85.02962	14.2
85.03445	1.0
87.00876	3.7
87.04545	0.9
88.98792	0.7
89.02458	19.3
95.01422	3.2
96.96039	1.7
97.02972	1.2
98.95596	0.6
99.00888	1.3
99.04503	0.7
99.92635	0.8
101.02458	34.7
102.02818	1.0
107.04987	0.5
110.85478	0.5
113.02468	33.3
114.02842	0.8
115.00410	0.9
116.92890	1.3
119.03522	9.2
123.04568	0.6
125.02469	4.1
131.03540	3.7
135.04634	0.5
136.05321	1.2
137.06148	2.2
139.00471	0.6
139.07718	1.4
143.03522	7.9
149.04590	4.2
149.05785	0.5
149.06027	0.4
149.09770	1.2
151.07672	6.9
155.03586	1.5
161.04582	12.6
161.05865	0.9
162.06938	1.3
165.09259	0.8
167.07291	0.6
175.02522	0.8
177.09346	1.3
179.05669	8.0
179.07202	0.9
179.10898	0.9
193.08752	1.0
203.05565	2.5
221.06665	2.2
262.41302	0.5
281.04709	0.5
287.43051	0.6
339.14587	0.8
346.95758	0.5
399.16812	2.4
475.28723	0.5
507.33386	0.7
513.30957	0.7
541.26666	1.1
565.30109	4.8
583.31323	16.6
584.31818	3.7
591.34296	1.8
601.32214	6.9
602.33270	1.5
625.32404	5.2
626.33179	1.3
643.33435	13.5
644.33337	2.6
651.37695	0.7
669.39050	4.0
670.38800	0.7
685.35938	1.6
711.39594	3.1
712.41205	0.8
729.40765	3.7
730.41687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
59.01688	0.4
61.98835	0.8
69.38327	3.0
71.01388	15.0
72.99331	0.5
73.02952	0.4
85.02969	0.6
88.98836	0.3
89.02448	0.7
96.96030	0.4
97.35209	0.2
98.19855	0.6
101.02470	0.5
107.05032	0.6
108.02204	2.4
109.02974	2.3
115.00390	18.4
116.00661	0.3
119.05051	0.7
121.02972	3.0
122.03772	3.9
123.04507	0.9
124.01682	0.5
133.00444	0.4
133.01450	8.1
134.01738	0.4
134.03781	3.1
135.04546	44.1
136.04883	1.6
137.02457	0.7
137.09798	0.3
143.10829	0.3
148.05333	0.4
154.02786	0.4
159.04544	2.7
160.04053	0.5
161.04794	0.3
161.06065	1.3
172.05373	0.5
173.06081	0.5
174.06853	0.3
176.70131	0.2
179.03644	0.3
181.05151	0.9
185.06099	1.0
186.06683	0.4
187.07690	3.7
188.08380	0.6
199.07680	0.4
201.09222	0.8
202.09857	0.2
211.07574	0.4
213.09158	0.4
214.08794	0.8
220.17307	0.3
227.10826	0.4
228.10306	0.5
229.11047	1.1
236.16502	1.8
238.18097	2.3
242.11974	0.3
243.13902	3.8
250.18111	1.6
254.17517	0.3
256.19199	1.6
257.15521	0.6
259.13516	0.4
259.16931	0.3
273.14999	0.4
285.14960	2.7
286.15323	0.4
287.16727	0.4
299.16602	2.0
300.16376	0.3
301.14587	0.4
303.16156	1.3
311.16452	0.7
313.18152	0.4
317.17581	0.8
327.15933	0.5
328.23062	0.3
329.17419	0.4
337.18198	1.5
354.20737	14.6
355.20859	1.5
372.21811	17.1
373.22195	2.1
390.22931	1.4
475.35272	0.5
492.52185	0.3
509.34061	0.3
516.82690	0.3
519.65088	0.3
554.97687	0.3
593.39709	3.3
594.39618	0.7
611.40808	100.0
612.41144	22.1
612.51447	0.5
655.39856	0.6
667.39557	0.4
685.40247	0.5
771.40906	0.7
772.41882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50408	0.2
57.03441	0.6
59.01381	13.7
61.98819	1.0
71.01389	21.7
71.05651	0.4
71.05965	0.4
71.08250	0.2
72.01723	0.3
72.99304	1.7
73.02957	1.9
75.00890	0.3
78.95927	0.3
81.03483	0.3
83.01411	1.2
85.02962	2.6
87.00873	1.2
88.98806	0.8
89.02455	3.0
93.03477	0.5
95.01402	0.6
96.96029	1.0
97.02989	0.3
99.00889	0.5
100.43662	0.2
101.02461	3.7
101.62664	0.2
107.05035	0.2
107.49115	0.2
108.02213	0.3
109.02973	0.6
113.02479	2.7
115.00391	27.5
116.00741	0.5
116.92838	0.4
119.03543	1.1
119.05045	10.7
120.01241	0.3
120.05408	0.5
121.02974	100.0
122.03304	3.7
122.06088	0.2
123.04605	0.2
124.01682	0.3
125.02455	0.4
133.01453	29.7
134.01775	0.5
134.03754	0.3
135.02997	0.5
135.04541	5.5
136.04871	0.3
140.38385	0.2
143.03487	0.6
149.06165	0.3
159.04572	0.5
161.04599	0.5
161.05981	0.3
163.04036	3.7
164.04431	0.2
168.10172	0.2
175.02513	0.4
179.05646	0.3
181.05083	60.8
182.05414	2.8
184.13576	0.2
187.07628	0.3
230.11726	0.2
234.15031	0.4
236.16553	4.4
237.14980	1.0
250.18158	0.6
252.19687	2.7
254.17696	1.3
278.17645	1.1
279.05176	0.4
296.18658	1.8
297.06216	2.8
325.03787	0.3
354.20828	1.3
356.22318	0.9
361.29401	0.8
372.21780	1.6
483.17136	0.2
491.34695	0.3
505.33820	0.5
523.34546	0.8
533.35901	7.4
534.36230	1.5
593.39331	1.5
594.40094	0.4
610.39319	0.5
611.40662	9.2
612.41083	1.3
655.39777	6.5
656.39703	1.2
666.38733	0.3
667.39020	9.6
668.39850	1.5
685.40155	5.3
686.40533	1.0
727.41382	4.2
728.20355	0.5
728.41821	1.1
771.41510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50408	0.2
57.03441	0.6
59.01381	13.7
61.98819	1.0
71.01389	21.7
71.05651	0.4
71.05965	0.4
71.08250	0.2
72.01723	0.3
72.99304	1.7
73.02957	1.9
75.00890	0.3
78.95927	0.3
81.03483	0.3
83.01411	1.2
85.02962	2.6
87.00873	1.2
88.98806	0.8
89.02455	3.0
93.03477	0.5
95.01402	0.6
96.96029	1.0
97.02989	0.3
99.00889	0.5
100.43662	0.2
101.02461	3.7
101.62664	0.2
107.05035	0.2
107.49115	0.2
108.02213	0.3
109.02973	0.6
113.02479	2.7
115.00391	27.5
116.00741	0.5
116.92838	0.4
119.03543	1.1
119.05045	10.7
120.01241	0.3
120.05408	0.5
121.02974	100.0
122.03304	3.7
122.06088	0.2
123.04605	0.2
124.01682	0.3
125.02455	0.4
133.01453	29.7
134.01775	0.5
134.03754	0.3
135.02997	0.5
135.04541	5.5
136.04871	0.3
140.38385	0.2
143.03487	0.6
149.06165	0.3
159.04572	0.5
161.04599	0.5
161.05981	0.3
163.04036	3.7
164.04431	0.2
168.10172	0.2
175.02513	0.4
179.05646	0.3
181.05083	60.8
182.05414	2.8
184.13576	0.2
187.07628	0.3
230.11726	0.2
234.15031	0.4
236.16553	4.4
237.14980	1.0
250.18158	0.6
252.19687	2.7
254.17696	1.3
278.17645	1.1
279.05176	0.4
296.18658	1.8
297.06216	2.8
325.03787	0.3
354.20828	1.3
356.22318	0.9
361.29401	0.8
372.21780	1.6
483.17136	0.2
491.34695	0.3
505.33820	0.5
523.34546	0.8
533.35901	7.4
534.36230	1.5
593.39331	1.5
594.40094	0.4
610.39319	0.5
611.40662	9.2
612.41083	1.3
655.39777	6.5
656.39703	1.2
666.38733	0.3
667.39020	9.6
668.39850	1.5
685.40155	5.3
686.40533	1.0
727.41382	4.2
728.20355	0.5
728.41821	1.1
771.41510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.4
59.01380	80.8
61.98822	7.4
69.66164	13.1
70.46589	1.6
71.01389	46.5
72.99320	4.0
73.02952	33.1
83.01389	15.1
85.02953	7.5
85.06592	6.2
86.95534	1.7
87.00896	16.1
87.04511	6.3
89.02458	9.4
96.96066	2.0
97.06573	1.9
101.02454	41.7
105.10967	1.9
111.61589	1.6
113.02456	16.5
119.03505	5.7
123.04546	8.6
125.02486	5.4
126.03260	2.4
127.11291	3.8
135.04478	4.8
135.08170	4.6
136.05319	8.8
143.03540	4.2
149.04558	4.2
149.06079	4.3
151.07678	5.0
151.11235	4.3
155.10800	5.3
157.08739	4.3
161.04564	13.5
162.06909	2.4
173.11835	27.2
174.12109	2.9
177.09225	10.5
179.10820	5.3
187.13385	6.1
221.06555	3.0
227.12820	3.0
262.14838	2.1
291.15918	5.3
293.17670	3.8
296.08405	1.9
309.17017	15.1
311.18567	2.3
323.18643	30.1
324.18903	2.7
325.03729	2.0
325.20215	5.9
349.20163	2.4
351.21783	3.5
367.21191	2.5
479.23251	2.6
479.30377	4.4
497.23422	2.3
511.25760	9.7
529.26337	6.7
529.75555	2.2
539.24811	18.2
540.25482	2.7
541.26172	5.2
557.26172	12.7
558.25977	3.5
571.27643	100.0
572.27930	20.2
655.40283	2.0
667.36499	5.9
668.37958	2.5
699.39789	3.9
709.38458	3.2
726.28894	2.3
727.39276	30.9
728.39740	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	771.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
61.98827	0.4
63.02398	1.4
65.00329	1.7
66.42106	0.4
69.75410	0.9
69.75836	1.9
71.01388	6.2
72.99318	0.4
73.02953	2.0
78.44334	0.4
83.01410	1.8
85.02959	0.6
89.02450	2.1
95.35115	0.3
99.59997	0.4
101.02460	2.6
103.59770	0.4
107.01402	4.8
108.02224	0.9
109.02966	0.9
113.02456	1.7
115.00393	8.1
119.03538	0.8
119.05042	6.8
121.02966	4.4
125.02540	0.6
128.03510	0.6
133.01453	23.5
134.01755	0.8
134.03781	0.7
135.04471	0.6
148.01692	0.9
149.02435	0.9
149.04474	0.5
151.00391	20.4
152.00690	0.6
159.04427	0.5
161.04570	0.9
163.00372	2.1
163.02693	0.8
163.04027	11.1
164.01175	1.1
169.01443	1.3
178.99879	10.7
179.05588	0.7
185.06046	0.4
187.03958	0.7
189.05551	0.6
190.06372	0.4
193.01471	0.7
193.05003	0.9
199.03996	0.6
201.05527	0.5
211.04062	0.4
216.04274	0.6
226.02705	1.3
227.03551	1.6
229.05150	0.8
239.03464	0.4
243.02930	5.9
244.03520	1.0
245.04529	1.2
254.02155	1.6
255.02963	16.6
256.03442	1.7
257.04343	0.4
271.02472	36.5
272.02884	4.4
273.03986	1.6
279.05099	1.6
283.02533	0.8
299.02005	3.6
300.02762	74.4
301.03500	64.0
302.03888	5.4
324.24429	0.4
343.04526	0.6
453.15024	0.4
463.08786	9.2
464.09369	1.0
523.21289	0.9
565.22510	0.5
609.14752	100.0
610.15112	16.1
610.25220	0.6
771.20349	3.3
772.20416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01374	3.5
59.08558	0.5
63.02392	3.3
65.00317	5.1
68.12456	0.5
69.74590	3.4
71.01380	3.4
73.02959	2.0
75.71024	0.5
83.01394	4.9
84.73644	0.4
85.02979	0.8
87.00891	0.8
89.02457	0.9
91.01909	1.2
95.01405	1.3
96.21188	0.4
98.19872	1.0
101.02444	1.4
107.01400	11.3
109.02966	2.4
111.55717	0.5
113.02480	1.1
115.00395	2.9
119.01423	1.6
119.05028	4.2
123.00896	1.0
124.01682	5.0
125.02458	6.9
133.01440	7.3
134.03760	1.0
135.00920	0.7
136.01675	10.9
137.02443	2.0
142.16280	0.5
146.83215	0.4
147.00906	2.1
149.02469	1.9
151.00385	45.1
152.01184	18.6
153.01622	0.6
157.64449	0.5
159.04492	0.8
159.26035	0.5
161.02473	0.7
161.04565	0.7
163.00391	11.2
163.04012	6.9
164.01169	24.4
165.01897	3.1
169.01439	5.4
171.04431	0.6
175.04062	2.2
177.01932	0.7
178.99869	74.5
180.00287	3.1
183.04562	0.7
187.04106	0.7
189.02046	0.5
190.99889	3.2
192.00626	4.9
193.01381	4.6
193.05029	1.4
198.03140	0.5
199.03943	2.3
201.01950	4.4
203.03491	1.2
205.01436	1.4
213.01897	0.6
214.02635	3.3
215.03374	1.1
217.01546	0.7
219.02939	2.4
227.03493	4.5
229.01349	0.5
231.02882	1.2
232.03758	2.1
233.00911	0.6
242.02235	2.6
243.02956	6.3
244.03738	0.9
247.02560	0.6
255.03009	3.0
259.02454	3.7
260.03015	0.7
270.01688	3.3
271.02466	36.1
272.02820	3.3
273.04099	0.6
279.05072	0.7
287.01962	10.4
288.02643	2.4
289.03348	0.9
298.01193	1.3
299.01971	42.4
300.02451	5.5
315.01505	0.9
316.02237	71.6
317.02914	21.3
318.03265	1.4
478.58090	0.5
496.68765	0.5
771.20117	100.0
772.20428	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	771.202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65073	0.2
59.01373	1.1
63.02398	0.4
65.00325	0.9
68.99810	0.7
69.62780	0.2
69.75046	0.9
69.75462	0.3
71.01379	1.1
73.02947	0.6
75.75970	0.2
83.01392	0.5
85.02948	0.3
87.00860	0.5
87.04501	0.2
89.02444	0.4
98.19868	0.3
100.24518	0.1
101.02459	0.4
107.01392	1.2
109.02966	0.2
115.00354	0.5
115.04046	0.2
119.03479	0.1
119.05033	0.5
124.01695	0.3
125.02458	0.3
131.03522	0.2
133.01454	1.6
133.02968	0.3
134.03745	0.2
135.00902	0.4
137.02487	0.2
142.81029	0.2
143.03473	0.2
143.05013	0.2
145.02959	0.3
149.02457	0.7
150.99199	0.3
151.00388	4.8
152.01099	0.6
155.05016	0.6
157.02957	0.3
159.04555	0.8
161.02449	0.8
163.00357	0.7
163.04015	1.2
163.06143	0.5
164.01169	3.5
171.04526	0.4
173.02386	0.1
175.03978	0.4
177.01910	0.4
178.99866	1.6
179.03516	0.2
183.04504	1.1
185.02419	0.9
187.00371	0.5
187.04010	0.2
189.01875	0.4
192.00644	0.3
193.01463	0.3
193.05077	0.3
199.02348	0.2
199.04033	2.4
200.04395	0.2
201.01953	6.4
202.02318	0.5
203.03522	3.9
204.03838	0.4
211.03946	0.3
213.01901	0.2
214.02795	0.2
215.03506	0.6
217.01353	0.2
219.02989	0.3
223.06174	0.2
227.01291	0.2
227.03505	4.3
228.03833	0.2
229.01442	0.5
230.02151	0.3
231.02982	5.7
232.03471	0.5
243.02980	2.6
244.03600	0.2
255.02962	2.9
256.03345	0.2
257.01035	0.3
259.02603	0.2
271.02466	58.0
272.02789	4.7
281.00803	0.2
287.01834	0.5
288.02292	0.2
290.42279	0.2
297.00439	0.2
298.01144	0.7
299.01971	100.0
300.02316	8.7
301.03455	0.6
316.02252	3.7
317.02969	0.5
337.34991	0.2
352.05453	0.2
371.04025	0.3
413.73492	0.2
450.14615	0.2
548.90771	0.2
706.28870	0.2
771.20209	2.7
772.20856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	52.2
61.98838	19.0
71.01390	18.0
73.02950	7.7
79.95737	2.6
83.01372	3.1
85.02965	6.3
86.75491	2.0
87.00866	3.9
89.02464	4.2
96.96025	100.0
98.95609	37.5
98.96445	6.6
99.92615	5.8
101.02463	8.2
104.05054	2.3
106.06617	2.8
113.02449	7.3
114.17981	1.9
115.00388	5.5
115.03471	1.8
115.92103	3.5
116.34584	1.9
116.92874	25.7
121.02995	2.1
127.05114	3.4
136.07678	6.6
148.65570	2.0
151.07683	22.9
158.02568	2.5
160.07713	2.3
161.04623	4.7
162.06906	3.0
175.02428	2.6
190.05135	4.6
193.08698	2.8
202.67824	2.0
250.07626	3.1
257.12958	9.4
258.13339	4.2
265.09805	2.4
267.11420	4.2
399.16776	3.2
437.19312	3.5
555.11188	5.6
559.10938	3.3
573.12695	2.8
576.37769	2.5
587.09705	10.5
596.22595	3.9
597.22870	4.5
602.12830	3.2
603.13531	2.8
607.35101	2.3
617.15259	5.8
640.20850	3.3
646.11682	4.9
647.14410	3.0
661.14099	10.9
662.13959	3.8
667.37994	7.4
671.22693	3.5
672.24341	11.0
673.13965	3.5
673.24243	23.9
685.38690	8.4
691.14069	6.7
693.13190	8.7
703.11450	6.5
704.12225	3.1
705.13342	12.4
706.13129	4.6
723.14160	10.7
724.14294	4.0
726.39227	3.0
727.39655	16.9
735.14258	52.9
736.14581	14.6
753.15118	3.5
771.16516	21.8
772.16461	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	769.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
59.01380	3.2
61.98839	0.6
65.08349	0.2
66.23194	0.2
69.56926	0.5
69.57322	1.9
71.01385	13.2
72.99315	0.5
73.02986	0.5
80.12352	0.2
85.02966	0.7
87.00910	0.5
89.02472	0.8
93.03444	0.3
96.96081	0.2
97.06511	0.3
98.19867	0.4
99.00867	0.2
99.92591	0.6
101.02457	1.4
107.05038	0.3
108.02194	2.8
109.02979	2.8
112.27858	0.2
113.02457	0.9
114.05610	0.4
115.00392	12.4
116.92876	5.0
117.92882	2.0
118.92725	1.0
118.93431	0.4
119.03549	0.4
119.05007	0.3
121.02988	1.4
122.03765	4.1
123.04562	1.7
124.01672	0.6
125.02426	0.2
127.05177	0.3
133.01457	5.7
134.03770	2.9
135.04547	44.6
136.04904	1.7
137.02493	0.8
139.77599	0.2
141.09236	0.3
143.10832	0.2
148.05362	0.4
149.06088	0.3
153.06725	0.7
154.02722	0.5
154.99913	0.2
155.08308	0.3
159.04524	3.4
160.04054	0.5
161.04770	0.4
161.06133	1.7
168.10350	0.2
171.75095	0.2
172.05333	0.6
173.06105	0.8
174.06927	0.6
175.02528	0.6
175.03992	0.3
175.07646	0.5
179.03505	0.4
185.06113	0.8
186.06894	0.3
187.07666	4.7
188.08331	0.9
199.07632	0.4
200.08498	0.3
201.09200	0.5
209.15433	0.3
211.07832	0.2
211.10880	0.5
213.09367	0.5
214.08832	0.6
227.10999	0.3
228.10201	0.6
229.11090	1.0
232.17065	0.2
234.15097	0.4
236.16542	3.2
237.16812	0.3
242.11880	0.3
243.13904	5.4
244.14322	0.4
250.18001	1.5
254.17592	1.9
259.13184	0.4
283.13580	0.3
285.14954	3.2
286.15341	0.3
287.16376	0.5
297.15149	0.6
299.16550	3.3
300.16870	0.4
301.14404	0.4
303.16159	1.4
304.15866	0.3
309.14743	0.4
311.16663	0.6
313.18085	0.5
317.17575	2.2
327.16245	0.5
328.23108	0.2
329.17700	0.4
337.18005	1.9
338.18427	0.3
352.77820	0.2
354.20746	18.1
355.21539	1.7
372.21823	12.7
373.22299	1.9
388.85901	0.2
390.22916	0.9
591.38000	3.3
592.38251	0.7
609.39233	100.0
610.39557	22.2
653.37964	2.0
654.38116	0.5
665.37671	2.0
666.37781	0.5
683.38940	1.1
725.39880	0.6
769.37836	2.5
770.37598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03436	2.9
59.01379	44.7
61.98820	3.5
69.03453	1.7
71.01385	44.0
71.49245	2.2
72.01739	0.9
72.36812	0.8
72.99306	2.4
73.02959	8.8
75.00874	0.8
81.03474	1.2
83.01394	6.7
83.02946	0.7
85.02960	16.3
87.00902	4.2
88.02444	0.8
89.02467	7.2
95.01410	4.3
97.02952	1.8
99.00877	3.1
101.02458	21.6
108.02187	2.0
109.02953	2.2
111.00886	3.4
112.01687	0.9
113.02464	14.3
115.00391	19.5
119.03503	3.8
121.02966	1.2
122.03722	3.7
123.04575	1.9
125.02477	4.0
133.01445	6.8
134.03754	2.3
134.13301	0.8
135.04543	46.2
136.04889	1.9
137.09761	0.9
143.03503	2.5
154.15211	0.7
155.10799	1.2
157.12305	0.9
159.03052	1.3
159.04538	2.9
161.04697	1.6
161.06032	1.6
175.02559	1.1
183.13878	0.9
187.07706	4.1
201.09360	1.5
201.14961	3.3
228.10254	0.9
229.11063	1.1
229.14571	1.1
230.15135	1.2
236.16594	4.1
243.13844	4.8
250.18120	1.5
254.17644	1.4
285.14932	3.2
299.16492	2.5
303.15863	1.3
311.16614	0.9
317.17477	1.8
337.18176	1.6
354.20758	14.8
355.20856	1.5
359.28064	10.0
360.28320	1.3
372.21808	14.5
373.22208	2.1
390.22977	0.8
392.20493	1.0
503.32336	3.3
521.33209	7.7
522.33746	1.8
591.38348	2.8
592.39099	1.5
609.39221	100.0
610.39545	25.7
653.38171	1.8
665.37622	83.5
666.37915	18.8
666.48553	1.5
681.24866	1.4
683.38770	41.6
684.39227	10.5
725.39880	23.3
726.40021	5.6
769.41119	1.1
770.41901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.39442	0.2
57.03439	0.6
58.00603	0.4
58.64075	0.2
59.01087	0.7
59.01380	12.9
61.98831	3.4
69.03476	0.5
71.01389	10.1
71.72877	0.4
72.99316	0.8
73.02954	2.5
75.00898	0.5
78.95892	0.5
83.01405	1.8
85.02959	3.3
87.00881	1.4
88.98818	0.8
89.02451	2.9
95.01446	0.5
96.95999	0.5
96.96983	0.3
97.02964	0.5
99.00898	0.5
101.02454	5.7
102.02806	0.3
111.00853	0.4
113.02470	3.0
115.00389	1.9
116.92913	0.4
119.03503	1.2
119.05013	0.4
121.31427	0.3
125.02499	0.3
133.01430	1.1
135.04552	1.8
135.05435	0.4
143.03531	0.6
161.04532	0.8
175.02448	0.9
179.05632	0.4
196.33177	0.3
215.94331	0.3
295.22705	0.6
301.87445	0.3
313.23877	2.3
314.04181	0.3
341.26904	4.1
342.27484	0.5
354.20792	0.3
357.26599	0.5
359.28018	15.8
360.28473	2.0
372.21945	0.5
503.32294	4.7
504.32614	1.0
521.33270	100.0
522.33618	15.0
541.74597	0.4
542.07776	0.3
561.33685	0.3
563.34229	3.9
564.34985	0.6
609.39429	2.0
610.39709	0.6
653.37823	0.9
665.37238	1.5
683.38153	1.4
725.38904	0.9
784.35144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.7
59.01377	22.6
60.01703	0.4
70.49911	1.7
71.01385	24.4
72.01727	0.5
72.99312	1.4
73.02949	6.3
83.01392	2.2
85.02966	3.3
87.00883	1.1
89.02450	10.8
95.01375	1.1
99.00900	0.5
101.02456	9.9
103.51515	0.4
103.91601	0.4
108.02216	0.6
109.02985	0.8
113.02465	7.2
115.00385	13.4
116.00714	0.5
119.03531	4.7
119.05040	40.6
120.05383	2.0
121.02927	0.6
123.04469	0.6
126.06828	0.5
131.03523	1.0
133.01448	30.2
134.01831	1.0
134.03728	0.9
135.04543	0.8
143.03528	1.9
149.04604	2.4
151.07704	0.4
159.04572	0.6
160.05275	1.9
161.04579	4.1
163.04024	100.0
164.04355	5.2
172.05342	0.9
173.06065	0.9
175.07660	1.3
179.05629	4.5
189.05656	1.5
190.06311	1.4
193.05136	0.9
203.10757	0.9
205.08617	2.1
221.06732	1.3
221.11839	1.7
222.12169	0.8
277.62540	0.4
279.05087	9.5
280.05432	1.0
287.57373	0.4
296.10599	1.1
311.12985	1.9
329.13989	1.4
341.13907	6.8
342.14172	0.7
478.57489	0.5
503.19220	7.3
504.19629	1.4
521.20276	10.9
522.20752	1.6
563.21295	5.8
564.21741	0.9
623.12079	0.4
750.95294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04335	0.8
55.01867	1.8
57.03444	2.0
58.00589	3.2
59.01381	100.0
60.01717	1.2
60.80807	0.8
69.03454	0.8
71.01388	63.9
72.01725	1.2
72.99304	3.2
73.02952	25.6
81.44847	1.0
83.01402	10.9
85.02446	0.9
85.02957	14.2
87.00886	3.2
89.02457	52.1
90.02778	1.1
95.01405	4.2
97.02998	0.8
98.19833	1.8
99.00868	1.2
101.02460	46.9
102.02790	0.9
108.02197	1.6
108.63625	0.7
109.02945	1.9
113.02470	30.5
114.02820	0.8
115.00368	0.8
119.03524	23.7
121.02991	3.4
122.03764	1.2
123.04530	1.9
125.02465	2.3
125.56277	0.8
131.03568	4.6
133.01422	1.8
134.03773	1.0
135.04523	3.4
143.03534	8.8
143.30643	0.9
149.04590	7.4
158.93890	0.9
159.04521	2.9
160.05327	9.0
161.04587	17.4
161.05998	2.9
162.04933	1.3
172.05321	4.7
173.06020	4.0
174.06639	0.8
175.07666	5.3
178.06396	0.9
179.05630	19.6
187.07639	2.2
189.05577	9.4
190.06387	9.9
193.05074	0.9
202.06183	1.0
204.07866	1.4
205.08699	12.3
205.10516	0.6
206.09006	1.6
212.93918	0.9
221.06673	4.3
227.03482	0.9
243.02985	1.5
253.08624	1.1
266.83896	0.8
271.02496	7.2
281.08118	2.8
295.09647	1.4
296.10495	6.0
297.10999	0.9
299.02002	13.2
300.02539	5.4
311.12848	9.9
312.13275	1.0
314.04214	1.6
315.05099	2.4
323.12708	0.8
326.11456	1.5
329.14041	3.3
341.09750	0.9
341.13953	32.1
342.14450	4.0
503.19241	39.4
504.19672	7.4
521.20288	48.3
522.20636	10.3
563.12616	1.7
563.21417	32.7
564.21857	7.1
653.38293	2.6
769.22430	8.1
770.22302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
59.01380	6.1
60.99309	14.8
62.99728	0.3
69.61105	0.2
71.01387	7.7
71.74219	0.4
72.99317	9.3
73.02950	1.7
75.00883	0.2
80.05080	0.7
81.03465	0.2
83.01402	1.0
83.05051	0.3
85.02956	2.4
87.00882	2.4
88.00420	0.7
88.98817	100.0
89.02454	7.3
89.99149	6.2
90.02782	0.3
90.99241	1.7
91.00367	0.3
95.01398	0.6
97.02959	0.2
99.00907	0.5
99.04517	0.3
101.02456	4.5
106.06644	3.8
107.04999	0.2
108.08208	4.9
113.02466	3.2
115.00388	0.6
119.03516	1.2
119.05077	0.4
122.06116	0.6
122.91142	0.2
125.02493	0.5
128.03549	0.3
131.03539	1.7
132.04576	9.7
133.01451	0.7
133.04922	0.5
134.06113	1.2
135.04576	0.9
143.03535	0.4
150.05643	4.0
151.75418	0.2
152.05984	0.4
152.07201	6.5
159.03009	0.4
161.04596	1.7
164.07179	2.1
166.08740	0.6
179.05602	0.7
191.29495	0.2
194.08170	0.2
196.07663	0.5
211.11154	0.2
221.06648	2.0
226.12405	0.3
251.11865	0.4
253.13464	6.6
254.13782	0.6
264.16415	0.2
269.12903	0.4
271.14517	1.2
279.11407	3.2
280.11877	0.4
297.12451	13.3
298.12872	1.1
299.14014	1.1
311.14084	0.2
315.13525	3.4
323.10287	0.3
339.13690	1.2
341.14728	0.3
357.14575	1.0
359.24545	0.2
381.14584	0.5
399.15588	0.5
441.16870	0.5
459.17731	0.9
477.18732	0.4
501.18756	4.6
502.19180	0.7
519.19879	2.5
520.20276	0.4
527.29272	0.2
550.48816	0.2
603.22003	0.6
621.23395	2.4
621.32672	0.3
622.24390	0.3
639.24469	1.0
653.38483	0.7
663.24200	9.2
664.24841	1.5
665.37433	0.6
677.50531	0.5
678.50458	1.2
679.50610	0.3
681.25415	10.8
682.25568	2.0
683.38708	0.6
707.23138	1.0
725.39252	0.4
769.38086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.223
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
58.00581	0.3
59.01381	5.9
63.02394	0.8
65.00318	1.5
66.43091	0.3
71.01386	5.2
72.99316	0.4
73.02957	0.9
83.01395	1.3
85.02958	1.0
89.02448	2.4
95.01421	0.4
98.48685	0.3
101.02458	2.3
101.04008	0.6
107.01389	2.4
109.02985	1.2
113.02454	1.7
115.00383	1.8
117.03514	0.5
119.03534	1.0
119.05061	0.4
124.01699	0.4
125.02451	0.5
128.03496	0.3
131.40536	0.3
133.01456	2.1
134.03757	3.8
135.00905	0.3
135.04561	5.5
143.03433	0.4
143.05107	0.7
145.02991	1.0
145.06366	0.3
146.73741	0.3
147.00981	0.7
149.04587	0.4
149.06100	0.6
151.00403	8.0
152.01096	0.6
155.05096	1.1
157.02968	0.7
159.04530	0.6
161.04559	0.7
162.42059	0.3
163.00308	0.4
163.04042	0.4
164.01215	0.4
169.01492	0.8
169.02919	0.4
171.04527	1.1
175.04065	0.7
178.99902	2.7
179.03453	0.8
179.05661	1.2
183.04543	2.1
185.02544	0.5
187.04036	1.2
189.01976	0.4
190.06415	0.5
193.05080	7.0
194.05463	0.5
199.04028	9.3
200.04399	0.4
201.01935	1.1
203.03529	1.1
205.08574	0.3
211.03989	1.5
213.02060	0.3
215.03552	4.1
216.04021	0.4
223.06200	0.3
225.01953	0.4
226.02748	0.9
227.03526	9.2
228.03905	0.6
229.01390	0.3
236.16585	0.6
242.02205	6.6
243.02983	39.1
244.03342	3.2
244.39445	0.3
255.02979	14.4
256.03458	1.5
257.04584	5.5
258.05084	0.3
270.01712	6.3
271.02463	51.4
272.02869	5.0
283.02386	0.3
284.03043	0.6
285.04050	12.2
286.04724	5.5
287.05405	1.6
299.01984	100.0
300.02560	18.1
301.03186	1.1
311.12964	0.4
313.03534	2.5
314.04324	87.8
315.04959	20.0
316.05429	1.1
324.02844	0.4
339.05283	0.9
341.13956	1.5
357.06128	0.9
386.61407	0.3
425.58331	0.4
448.75861	0.4
459.24759	0.4
490.88950	0.4
503.18982	1.5
521.20239	2.1
563.21393	1.6
579.49811	0.4
590.65344	0.3
605.14813	0.9
653.38104	3.6
654.37512	0.5
769.22241	92.6
770.22589	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	769.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13816	0.3
59.01379	4.7
61.98837	1.8
63.73447	0.3
64.35241	0.3
71.01386	1.4
71.73843	0.5
72.75526	0.3
73.02950	0.7
79.95753	3.0
80.05055	1.3
83.01382	0.3
85.02947	0.6
89.02461	0.7
96.96023	100.0
97.95958	0.4
101.02445	1.0
101.70643	0.3
104.05060	0.6
106.06645	2.3
108.04570	2.4
113.02473	0.6
116.92821	0.3
121.05223	0.3
122.06181	0.3
124.07691	1.0
130.06639	0.5
132.04582	0.5
134.06110	0.7
135.04512	0.5
136.07692	3.3
148.04021	1.4
150.05634	0.3
152.07188	0.3
160.04164	0.5
160.07681	1.5
161.04590	0.4
174.01660	0.3
174.05603	0.9
176.85957	0.2
189.38945	0.2
197.10738	0.3
210.08055	0.4
211.08861	0.3
223.08757	0.4
223.12561	0.3
224.09535	1.3
225.10356	2.1
231.18144	0.2
237.10464	0.5
239.11896	1.2
249.10268	1.1
250.07451	0.4
251.08319	1.8
255.11340	0.5
257.12943	10.2
258.13260	0.9
265.09784	0.7
266.10596	0.3
267.11411	5.6
267.14291	0.3
268.11685	0.5
293.09238	1.6
295.10721	0.5
307.25549	0.3
311.10355	2.1
392.19879	0.3
415.26886	0.8
433.28046	1.1
436.18793	5.7
437.19037	1.0
475.29074	0.5
483.23932	1.3
491.20746	0.4
509.21527	0.4
533.22107	0.4
549.21051	0.4
551.22992	2.7
595.21973	6.3
596.22119	1.5
627.24786	0.5
628.25391	0.3
639.21063	3.5
640.21771	1.1
671.23663	27.0
672.23920	6.5
725.38641	0.6
769.40808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03447	7.1
58.00579	2.1
59.01382	76.0
60.01714	1.0
67.24911	0.6
69.03458	1.8
71.01388	70.2
72.99299	4.9
73.02954	18.3
81.15768	0.7
83.01389	6.5
83.05037	1.3
85.02959	17.4
86.03295	0.8
87.00887	5.7
89.02455	33.8
90.02813	1.1
93.03486	0.8
93.58994	0.8
95.01386	2.8
97.02960	2.7
97.23611	0.7
99.00895	3.2
101.02460	28.8
106.47540	0.7
111.00951	1.2
113.02469	20.7
115.00397	35.3
119.03587	6.0
119.05039	27.4
120.05323	1.0
121.06618	1.0
123.04563	1.8
123.08176	2.0
125.02427	4.0
131.03532	9.8
133.01453	100.0
134.01764	2.1
134.03770	1.9
135.04517	2.8
139.87450	0.7
143.03534	4.5
148.05437	0.7
149.04590	9.0
151.07681	8.6
152.08035	0.9
161.04587	7.2
161.09734	3.5
163.04036	31.6
163.07681	4.9
164.04457	1.8
165.09236	3.0
169.81877	0.7
173.04616	1.4
173.09668	1.0
175.07678	0.8
177.09210	1.8
179.03789	0.8
179.05592	3.4
179.10722	4.6
188.08406	2.1
191.05615	4.3
193.05083	3.1
193.12335	1.5
203.05702	1.8
203.10791	28.7
204.11130	2.1
221.06737	2.6
221.11838	50.0
222.12193	4.2
230.61198	1.0
233.06596	1.3
239.12859	1.5
279.05124	6.8
281.08221	1.3
285.08542	0.7
309.07687	3.3
309.11087	1.2
324.10114	2.2
339.12411	6.5
367.51355	0.7
368.79294	0.7
412.80948	0.7
425.18219	2.1
443.19275	4.1
519.24463	0.9
531.24518	1.8
543.18677	2.5
549.25586	4.3
645.27954	1.2
655.69873	0.9
663.28796	42.2
664.29114	6.4
681.29962	31.0
682.30670	5.1
723.31091	12.5
724.31458	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	767.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.3
59.01380	25.7
71.01386	18.9
72.01701	0.4
72.99310	1.7
73.02957	6.6
76.77981	0.4
78.69006	0.5
79.00563	0.5
83.01406	1.8
83.05058	0.5
85.02950	2.1
87.00863	1.2
89.02458	2.9
95.05056	0.6
97.03000	0.8
101.02471	5.8
112.69253	0.5
113.02466	2.8
115.00388	32.6
116.00726	1.2
119.03555	1.2
119.05044	27.7
120.05375	1.3
121.06660	0.6
123.04553	0.9
123.08192	3.8
131.03523	0.8
133.01451	100.0
134.01787	2.1
135.04541	3.5
135.08165	1.0
135.20287	0.5
143.03537	1.1
147.04512	0.7
148.05302	0.7
149.04628	1.5
151.07675	13.5
151.11230	0.5
152.08047	0.8
158.07384	0.5
160.08920	1.2
161.04587	3.0
161.09724	5.2
163.04030	31.1
163.07663	10.5
164.04359	1.6
165.09212	4.6
173.09738	1.0
175.11301	0.7
177.09216	3.4
179.05566	0.5
179.10793	9.1
180.11049	0.8
187.07666	1.3
188.08473	4.4
203.05643	1.1
203.10783	49.4
204.11147	3.5
221.11829	82.5
222.12170	6.2
279.05048	6.0
280.05420	0.6
365.15985	0.9
383.17227	0.5
398.94043	0.5
425.18164	4.2
426.18625	0.5
443.19153	4.9
444.19717	0.6
587.02637	0.5
714.91443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52814	0.1
59.01369	0.3
60.99307	17.6
61.98841	0.3
65.13377	0.1
71.01418	0.3
75.25735	0.1
87.00890	1.1
88.00411	3.0
88.01249	0.3
88.98814	100.0
89.02448	14.3
89.99152	1.0
90.02772	0.2
92.60859	0.1
98.20749	0.3
101.02451	0.3
108.04620	0.1
141.13533	0.1
212.72806	0.1
221.08472	0.1
263.07925	0.1
277.21643	0.5
375.76608	0.2
397.13699	1.0
398.13599	0.2
415.14432	0.5
469.05212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
60.99310	16.8
61.98833	0.2
61.99662	0.1
70.22391	0.4
71.01392	0.4
87.00887	1.4
88.00415	2.8
88.00983	0.2
88.01212	0.1
88.15766	0.1
88.98818	100.0
89.02451	15.7
89.99151	1.3
90.02783	0.3
98.19868	0.1
101.02457	0.3
113.02441	0.1
115.02790	0.1
116.32095	0.1
125.02428	0.1
144.08226	0.1
217.29126	0.1
232.57964	0.1
235.08218	0.1
239.25696	0.1
277.21716	0.8
397.13458	1.4
398.13589	0.2
415.14172	0.4
416.14810	0.1
455.80322	0.1
483.79129	0.1
515.80103	0.1
555.97217	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	763.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.5
59.01380	30.2
61.98818	1.8
62.25704	1.2
69.03448	1.2
70.05498	1.0
70.22367	3.3
70.22777	1.9
71.01389	30.0
72.99316	1.9
73.02942	4.2
79.82641	1.0
83.01398	3.3
85.02956	6.5
87.00885	6.5
89.02460	20.1
95.01420	2.3
97.02977	4.1
99.00915	1.3
101.02464	21.3
113.02469	11.0
119.03515	6.4
125.02486	9.5
143.03511	3.8
148.28473	1.2
161.04605	6.2
179.05647	3.6
200.93956	1.2
221.06818	1.4
235.08247	11.7
236.08383	1.2
253.09221	2.5
287.07770	3.1
296.43082	1.2
305.08829	3.3
305.24854	71.3
306.25253	7.6
323.09634	1.4
379.12811	1.8
397.13525	100.0
398.13892	9.3
399.11456	1.1
415.14566	35.7
416.14722	2.5
506.74091	1.2
703.39221	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	763.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.9
61.98837	5.6
62.96413	0.5
65.00337	1.3
68.40974	0.5
68.49660	0.5
70.05657	2.5
71.01394	6.6
73.02955	1.4
74.02464	0.5
78.95912	100.0
83.01385	1.3
85.02974	1.5
89.02460	1.5
96.96027	0.6
96.96973	10.0
98.19918	0.7
101.02452	2.2
106.06649	0.8
107.01395	2.4
109.02987	0.9
113.02470	1.2
115.00405	2.7
121.02980	1.6
133.01453	3.2
134.03769	5.1
135.04105	1.1
138.97995	0.8
139.00490	0.5
146.03731	0.9
149.02449	1.0
149.06111	0.6
150.03209	1.8
150.56752	0.6
150.98015	1.2
151.00389	8.4
152.99606	39.8
161.02464	0.9
161.04565	1.1
163.00410	1.0
163.61792	0.6
164.04765	0.9
165.05563	1.6
169.03922	0.6
171.00661	8.8
175.02501	0.5
177.01933	0.6
178.99864	5.7
179.03497	1.5
179.05510	0.7
179.07069	0.6
193.05093	10.3
194.05467	4.4
195.06665	1.1
207.00623	3.9
209.08127	1.1
211.04070	0.6
213.01698	0.8
222.40298	0.5
225.01686	6.1
227.03549	1.3
243.02934	1.4
245.04619	0.9
255.02963	6.1
256.03415	0.8
267.02695	0.9
271.02475	9.2
272.02866	1.4
273.03885	1.0
283.02505	1.1
287.25519	0.6
297.03873	1.2
299.01938	0.9
300.02792	20.5
301.03525	24.3
302.03763	2.0
309.06097	0.8
317.06421	0.7
369.05917	4.3
370.06320	0.7
380.70572	0.6
387.07010	0.9
446.96011	0.6
461.10468	2.2
505.16965	1.4
535.18201	0.7
609.15198	3.4
629.25922	0.6
671.10236	1.5
763.15228	63.8
764.02234	0.9
764.15649	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	761.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05745	1.9
59.01379	25.8
60.22298	1.5
61.98834	12.4
63.27691	1.6
71.01380	6.5
73.02938	3.7
76.99848	1.5
80.05072	5.3
83.05013	2.2
85.02937	1.8
87.00883	2.7
89.02446	2.1
98.20621	4.1
101.02462	3.8
104.05096	4.5
106.06611	8.9
108.04552	8.7
113.02473	2.8
124.07702	5.5
125.02477	4.5
127.04049	4.0
132.04607	2.3
134.06151	2.0
136.07672	14.6
144.65839	1.7
148.04048	6.4
153.04590	1.6
160.04083	4.4
160.07698	7.7
161.04759	1.8
172.03622	1.7
174.05650	4.6
177.09262	3.0
178.05171	2.2
210.07896	1.5
211.08643	2.1
224.09583	6.2
225.08318	1.8
225.10318	10.3
228.94559	2.0
239.11932	6.9
249.10356	4.5
250.07507	2.2
251.08279	6.5
255.11429	2.0
257.12946	60.2
258.13373	3.9
265.09778	4.2
267.08701	2.4
267.11389	26.4
268.11688	2.4
278.92850	1.7
293.09354	4.8
295.10886	2.3
311.10446	12.3
325.11664	2.6
355.08997	1.6
390.18280	2.3
436.18765	27.3
437.19220	5.2
444.19055	2.9
483.23874	4.5
484.44818	1.6
485.82593	1.8
533.21283	2.7
540.03674	1.7
551.22894	14.5
558.56000	1.8
577.21515	2.7
589.32300	2.2
595.22058	38.7
596.22516	9.3
627.24762	4.7
628.24860	2.8
639.21173	24.9
640.21295	5.8
671.23657	100.0
672.23846	23.0
717.37152	5.2
725.15656	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	759.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98959	0.3
59.01374	2.3
61.98812	0.6
65.00317	0.5
65.26201	0.3
71.01374	3.4
72.99340	0.4
77.11262	0.3
83.01394	0.6
85.02917	0.4
96.00902	0.4
98.20595	0.6
101.02447	0.5
107.01384	1.4
113.02473	0.5
115.00382	2.2
117.03441	0.5
119.05043	6.9
123.00855	0.4
124.01649	1.3
125.02464	0.6
127.53407	0.4
128.03529	0.9
130.08746	0.5
133.01466	3.1
134.03767	2.1
135.00922	0.4
136.01659	0.6
137.02498	1.7
143.04663	0.6
149.02379	0.5
151.00389	4.9
152.01134	0.9
163.00375	1.3
163.04027	14.3
163.05396	0.8
164.01155	1.3
164.04381	1.0
167.04790	0.5
169.01451	0.5
175.04054	0.3
177.01906	0.4
178.99864	5.1
179.03453	0.4
181.01460	0.6
191.36765	0.3
193.05038	4.9
196.03699	0.8
201.20518	0.4
211.06155	0.8
214.02713	3.5
215.03305	0.4
220.32187	0.4
227.03395	0.5
229.34976	0.4
242.02211	3.4
243.02878	1.5
255.03011	0.4
259.02390	2.7
270.01675	4.1
271.02460	21.6
272.02765	1.9
279.05038	0.9
287.01968	12.2
288.02411	1.6
299.02029	1.7
300.02765	0.4
306.07687	1.0
316.02240	73.4
317.02853	16.5
318.03387	1.1
423.70334	0.4
458.72861	0.4
479.08304	100.0
480.08658	14.5
525.11761	0.4
581.25085	0.4
759.33173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.7
71.04512	0.7
83.01407	0.3
88.27961	0.2
107.01408	1.3
108.02187	1.3
112.31351	0.2
121.02962	0.4
135.00902	0.6
148.01683	1.2
151.00404	4.6
163.00410	0.6
164.01183	0.5
169.01479	0.4
171.04597	0.3
175.04051	0.3
178.99875	3.5
183.04356	0.3
187.03857	0.3
192.00616	0.5
199.04015	1.0
211.03996	0.7
215.03368	0.6
216.04282	0.5
221.04413	0.3
226.02760	1.7
227.03477	2.4
242.31383	0.3
243.02989	10.5
244.03412	0.7
245.04492	0.3
254.02275	1.9
255.02966	25.6
256.03418	1.3
271.02457	54.4
272.02927	4.4
273.04071	0.3
299.02121	2.2
300.02750	100.0
301.03232	12.2
302.03937	0.4
343.04575	0.3
358.48315	0.2
430.13019	0.3
458.19373	0.3
476.14304	0.3
489.10333	0.4
755.20734	43.2
756.21075	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	755.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
57.03448	4.4
58.00589	1.4
59.01379	66.8
60.01708	1.2
61.98827	9.2
69.03456	2.5
69.50916	4.1
69.51347	1.7
71.01386	45.7
72.01714	0.7
72.64971	0.6
72.99314	3.4
73.02956	12.8
75.00863	1.1
78.95912	0.9
81.03454	0.8
83.01394	9.9
85.02961	23.8
86.00130	0.6
87.00877	4.5
88.98815	2.1
89.02445	10.2
95.01393	5.8
96.96035	1.5
96.96928	0.8
97.02956	3.8
99.00877	5.1
101.02456	31.3
102.02761	1.0
107.05006	0.7
111.00890	4.4
112.01678	1.5
113.02465	21.4
115.00401	1.8
119.03516	3.6
119.05022	0.8
120.01212	0.9
121.02932	1.2
123.04523	0.8
124.01666	2.2
125.02461	6.1
129.01958	1.0
133.01379	0.8
134.03760	11.2
135.04002	0.6
137.02484	1.6
141.01938	0.7
143.03523	3.1
149.06096	2.6
159.03003	2.4
160.01619	1.5
161.04552	3.3
171.13916	0.8
175.02527	1.2
175.03885	1.1
178.02727	4.6
179.05598	0.9
181.57739	0.6
193.05051	9.3
194.05453	1.0
243.03078	0.9
255.02983	2.5
256.29089	0.6
271.02472	5.0
299.25876	2.8
300.02808	9.7
301.03351	1.2
345.30063	8.3
480.19131	0.7
489.34198	4.6
490.33667	0.8
507.35422	9.5
508.35797	1.1
595.41217	2.2
651.39716	100.0
652.40015	21.3
669.40741	61.0
669.52618	0.9
670.41052	13.3
680.57715	0.7
682.72668	0.7
685.57019	0.8
711.42072	34.2
712.42523	7.7
713.25354	1.2
716.28680	0.8
755.24292	7.1
756.26123	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	755.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29902	0.3
59.01371	0.8
61.12142	0.3
65.00327	0.7
70.06727	2.0
71.01383	1.1
83.01405	0.5
107.01402	1.7
108.02197	1.2
115.00352	0.8
119.05000	0.7
121.19334	0.3
133.01431	1.3
134.03745	0.7
135.00893	0.6
148.01688	1.6
151.00397	6.1
163.00371	1.0
163.04041	0.7
164.01180	0.6
178.99846	3.3
193.05074	1.2
199.03995	0.7
211.04062	0.6
215.03548	0.4
216.04231	0.5
226.02716	2.0
227.03526	2.8
229.05031	0.4
243.00415	0.4
243.02950	10.7
244.03442	1.1
254.02301	1.8
255.02969	27.8
256.03342	1.9
271.02451	60.8
272.02921	6.5
299.02005	2.0
300.02734	100.0
301.03217	12.6
302.03561	0.4
303.46146	0.3
489.10284	0.4
593.94611	0.4
723.23029	0.4
755.20667	60.2
756.20990	12.5
756.34326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07546	0.1
55.15820	0.1
59.01386	0.7
71.01387	10.1
71.72242	0.2
72.99310	1.5
85.02973	0.3
87.00899	0.3
89.02459	1.4
91.05563	0.2
93.03497	0.3
96.96032	0.6
101.02464	0.4
107.05033	0.5
108.02156	0.2
109.02977	0.3
115.00388	28.3
116.00723	0.6
117.03497	0.2
119.05070	1.6
123.04554	0.3
128.03560	0.2
133.01451	100.0
134.01793	2.4
134.03778	2.2
135.04541	22.4
136.04875	1.6
149.06255	0.2
163.04039	3.8
164.04430	0.2
177.01958	0.4
178.02513	0.2
179.03514	27.2
180.03859	1.4
193.05066	0.8
211.06267	0.2
229.19868	0.2
242.03587	0.1
242.05905	0.4
243.06445	0.2
265.12204	0.2
271.09750	0.7
279.05035	0.2
295.04599	6.7
296.04996	0.7
298.01163	0.2
331.14023	0.2
405.12631	0.2
458.22559	0.3
521.13531	1.4
522.13776	0.3
739.71698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48895	0.8
55.01875	3.7
57.03439	3.5
58.00244	0.8
58.00569	1.3
59.01379	69.6
61.98834	18.0
62.82051	0.7
68.99825	0.9
69.03455	1.7
71.01389	41.8
71.27882	1.7
72.99302	3.2
73.02953	12.6
75.00880	2.0
78.95899	0.9
83.01397	7.4
85.02956	22.2
87.00889	6.4
88.98817	1.6
89.02444	9.9
89.07256	0.8
94.35833	0.8
95.01401	6.0
96.95999	2.0
97.02956	3.2
99.00896	4.2
101.02458	30.0
109.02974	1.1
110.02475	0.8
111.00893	4.4
112.01646	1.5
113.02463	20.6
115.00378	1.9
115.03909	0.9
115.05473	0.7
115.19560	0.8
116.20712	0.8
116.92840	1.5
119.03513	3.1
119.05037	1.4
125.02459	5.9
129.01920	1.5
131.03535	0.9
133.01433	2.5
135.04489	1.4
136.07756	0.8
143.03496	3.7
159.03035	2.3
161.04512	4.3
174.01711	1.8
175.02519	1.8
199.38011	0.8
297.24335	3.5
343.28568	7.7
344.28671	0.9
487.32697	4.9
505.33597	10.4
506.33975	2.2
633.37988	1.0
649.38141	100.0
650.28174	1.3
650.38556	22.7
651.39697	1.7
667.39160	61.3
668.39496	12.2
709.40411	25.4
710.40698	6.5
711.42151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03456	1.7
58.00597	3.1
59.01380	100.0
60.01719	1.4
61.98843	4.2
69.03461	1.7
71.01386	79.1
71.72522	1.1
71.72885	0.7
72.01730	0.8
72.99308	5.2
73.02953	26.7
75.00893	1.0
81.03458	0.7
81.68244	0.5
83.01391	9.4
84.09127	0.6
85.02962	15.3
86.03297	0.5
87.00898	3.3
88.98795	0.5
89.02455	68.9
94.31771	0.6
95.01383	2.2
97.02962	1.3
99.00873	1.6
101.02458	58.6
102.02773	1.2
104.84719	0.5
113.02464	28.2
114.02757	0.7
115.00406	6.5
119.03519	12.2
119.05024	7.4
120.01142	0.7
125.02452	3.7
131.03523	29.0
133.01447	22.0
134.03745	1.0
135.02933	0.7
135.04506	0.8
143.03540	6.4
149.04578	47.4
150.04893	1.3
153.09158	0.7
159.42044	0.6
161.03416	0.8
161.04584	10.6
162.04865	0.7
163.04024	10.6
164.04283	0.7
173.04475	0.9
175.02403	1.2
179.03444	1.4
179.05533	8.3
191.05647	10.8
193.04985	1.2
203.05612	0.7
221.06512	2.5
223.13351	0.8
233.06506	1.5
262.82886	0.6
274.00742	0.7
275.07635	0.9
279.04962	1.4
293.08768	3.2
311.09515	1.9
367.16998	0.8
418.78940	0.6
427.19189	1.7
485.23877	5.8
486.23914	0.9
527.24091	0.8
647.29547	4.0
662.04779	0.9
665.30225	5.1
666.30090	0.8
707.31287	4.1
708.31415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66238	0.2
59.01384	1.4
61.98833	1.6
71.01386	1.5
72.99315	2.9
75.00880	100.0
76.01215	1.2
87.00886	0.3
88.95200	0.2
89.02470	0.9
96.66054	0.2
101.02481	0.9
113.02451	0.7
119.03501	0.3
124.78030	0.2
125.02450	0.4
161.04556	0.4
161.48239	0.2
171.63181	0.2
177.32622	0.2
179.05655	0.2
197.50772	0.3
224.47702	0.2
235.08345	0.6
253.09341	0.3
275.76065	0.2
277.21719	3.6
278.22302	0.3
397.13541	7.6
398.13895	0.5
415.14508	2.8
477.60779	0.2
485.98383	0.3
587.99323	0.2
675.36096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03456	1.7
58.00597	3.1
59.01380	100.0
60.01719	1.4
61.98843	4.2
69.03461	1.7
71.01386	79.1
71.72522	1.1
71.72885	0.7
72.01730	0.8
72.99308	5.2
73.02953	26.7
75.00893	1.0
81.03458	0.7
81.68244	0.5
83.01391	9.4
84.09127	0.6
85.02962	15.3
86.03297	0.5
87.00898	3.3
88.98795	0.5
89.02455	68.9
94.31771	0.6
95.01383	2.2
97.02962	1.3
99.00873	1.6
101.02458	58.6
102.02773	1.2
104.84719	0.5
113.02464	28.2
114.02757	0.7
115.00406	6.5
119.03519	12.2
119.05024	7.4
120.01142	0.7
125.02452	3.7
131.03523	29.0
133.01447	22.0
134.03745	1.0
135.02933	0.7
135.04506	0.8
143.03540	6.4
149.04578	47.4
150.04893	1.3
153.09158	0.7
159.42044	0.6
161.03416	0.8
161.04584	10.6
162.04865	0.7
163.04024	10.6
164.04283	0.7
173.04475	0.9
175.02403	1.2
179.03444	1.4
179.05533	8.3
191.05647	10.8
193.04985	1.2
203.05612	0.7
221.06512	2.5
223.13351	0.8
233.06506	1.5
262.82886	0.6
274.00742	0.7
275.07635	0.9
279.04962	1.4
293.08768	3.2
311.09515	1.9
367.16998	0.8
418.78940	0.6
427.19189	1.7
485.23877	5.8
486.23914	0.9
527.24091	0.8
647.29547	4.0
662.04779	0.9
665.30225	5.1
666.30090	0.8
707.31287	4.1
708.31415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01380	28.4
66.63109	0.3
66.91603	0.2
69.61366	2.3
71.01385	19.1
72.01716	0.4
72.99316	2.2
73.02939	2.5
83.01399	0.9
85.02968	2.9
87.00876	0.7
89.02449	5.2
95.01409	0.9
99.00926	0.4
101.01790	0.4
101.02452	5.6
113.02465	7.8
114.02846	0.3
115.00388	32.6
116.00708	0.7
119.03551	1.5
119.05039	23.0
120.05403	1.1
122.81979	0.3
128.03580	0.3
131.03531	1.3
133.01448	100.0
134.01775	2.5
134.03801	0.7
143.03499	0.8
146.13443	0.3
149.04564	2.5
152.08464	0.9
153.09261	1.9
161.03258	0.5
161.04567	4.4
163.04028	27.4
164.04385	1.2
175.02516	0.4
179.05630	0.8
193.05043	1.8
205.12314	3.3
206.12706	0.3
221.06743	1.4
223.13406	0.7
253.75737	0.3
279.05106	8.0
280.05441	0.5
295.98462	0.3
318.77109	0.3
327.24786	0.3
367.17603	12.1
368.18082	1.2
385.18677	3.4
386.19049	0.4
409.39578	0.3
427.19714	8.7
428.19876	1.3
471.26477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
71.01401	2.7
73.98295	0.6
74.99104	36.9
79.95747	12.7
80.96530	3.2
82.32244	0.4
85.02946	1.7
89.02460	1.2
95.95244	44.5
96.96021	84.1
101.02444	2.2
115.00371	2.9
119.05112	0.6
133.01445	10.5
135.04507	2.2
138.05710	0.6
138.97110	0.7
163.03998	1.1
165.04546	0.6
166.03340	3.0
177.01978	1.9
179.03528	2.7
180.03842	0.7
190.81917	0.5
193.05040	0.7
195.03323	1.1
212.00166	1.1
214.98444	0.7
240.78787	0.6
259.01224	2.0
265.80600	0.5
274.99048	1.7
293.85229	0.6
319.12766	0.5
339.07159	0.6
397.64969	0.6
408.04291	100.0
409.04523	10.3
435.45728	0.6
637.94098	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	750.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.4
59.01395	1.7
63.96257	0.4
64.97023	0.4
70.58142	1.2
70.58503	0.3
71.01379	1.2
73.27799	0.3
74.99104	35.2
75.99435	0.5
79.90173	0.3
79.95747	10.6
80.96529	2.3
81.37842	0.3
85.02952	1.5
89.02459	0.9
91.89005	0.3
95.95244	42.5
96.96024	79.3
97.95980	0.4
101.02457	0.9
119.03534	0.8
128.93173	0.3
132.04524	0.3
138.97067	0.6
145.05136	0.5
145.91350	0.3
162.23454	0.3
166.03333	3.2
195.03366	1.6
212.00233	0.5
214.98421	0.6
222.80667	0.3
247.80092	0.3
259.01279	2.0
274.98950	1.2
276.65799	0.3
391.70013	0.3
408.04291	100.0
409.04581	9.5
618.91357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16230	0.3
59.01400	0.3
60.59204	0.3
69.95641	1.4
71.01388	1.4
78.95907	78.2
85.71023	0.3
96.96972	100.0
104.61465	0.3
115.00389	3.7
128.03522	0.4
133.00430	0.6
133.01450	11.0
133.03006	0.7
134.01781	0.3
134.03769	0.6
135.04536	1.6
138.98036	4.3
141.90967	0.3
177.01968	0.3
179.03499	2.5
184.08786	0.5
193.05121	0.5
198.06770	1.0
199.00131	6.5
202.02817	0.3
212.08266	4.0
213.01688	8.4
213.08737	0.3
241.07271	5.0
243.08842	0.3
255.08867	6.9
256.09131	0.4
278.47806	0.3
295.04596	1.0
402.95743	0.4
455.09708	92.5
456.10022	11.3
519.15015	0.6
627.34143	0.4
733.30676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03440	1.7
59.01378	82.8
61.98834	7.6
71.01386	8.7
71.31413	1.7
71.31762	0.8
73.02955	4.2
74.97361	0.7
78.95902	0.7
83.01375	1.5
85.02965	5.2
87.00880	2.1
89.02435	1.8
96.96025	0.9
99.00902	0.7
99.04503	1.5
101.02450	5.1
111.04546	1.2
113.02461	3.1
113.06133	0.9
119.03561	0.7
121.06615	0.8
123.04554	1.0
123.08120	1.0
125.02438	1.1
125.06166	0.8
125.71781	0.7
127.74818	0.7
131.03415	0.7
135.08165	2.0
136.05357	1.7
137.06108	2.6
137.09674	0.8
141.35466	0.6
143.03532	0.9
149.06122	8.7
150.06892	69.8
151.07274	4.2
161.04593	1.1
161.09721	1.5
162.06876	7.6
163.07675	30.3
164.08456	12.0
165.08940	0.7
176.08524	0.8
177.09210	8.6
178.10002	3.6
179.05634	0.8
179.10789	41.0
180.11127	2.2
193.08713	1.1
304.59634	0.7
436.27542	0.7
462.33627	1.6
477.35809	6.8
478.36118	0.8
480.34567	13.8
481.34985	1.6
493.35281	2.1
494.28754	1.3
494.36093	41.0
495.36844	100.0
496.37225	16.3
519.62537	0.7
537.37781	8.2
538.38654	1.7
605.31641	1.1
639.41254	14.6
640.41504	3.1
657.42078	5.1
683.36853	1.6
699.43701	34.3
700.44031	9.5
701.43103	1.5
708.41669	1.3
743.38086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03453	0.9
58.00610	2.6
59.01382	59.4
60.01731	0.9
61.98844	2.8
62.29027	0.5
71.01389	44.4
72.01730	0.5
72.99318	3.3
73.02965	1.3
83.01410	2.0
85.02963	7.1
87.00880	2.9
89.02456	52.1
90.02820	0.7
95.01399	2.6
99.00894	0.5
101.02459	23.6
108.02187	0.8
109.02991	1.4
113.02467	17.7
114.02820	0.7
115.00401	3.4
119.03523	21.2
119.05045	1.8
120.03892	0.6
121.02973	1.7
122.03780	0.8
123.04549	1.3
125.02469	0.5
131.03513	2.4
132.14299	0.5
133.01454	9.9
134.03757	2.1
134.84079	0.5
143.03506	6.2
149.04591	2.0
159.04552	1.3
160.05305	3.4
161.04590	6.7
161.05899	0.8
162.03221	0.6
163.04028	5.4
163.25266	0.5
164.04672	0.5
172.05394	2.2
173.06052	1.7
175.07607	2.1
179.05632	28.2
180.06003	1.0
187.07658	0.9
189.05559	3.4
190.06389	4.5
193.05107	3.8
203.07053	0.5
205.08688	6.2
206.09052	0.8
216.32130	0.5
267.88672	0.6
279.05078	0.6
281.08148	1.3
295.09866	0.5
296.10483	2.8
308.10629	0.5
311.09500	0.7
311.12909	4.5
326.11505	0.6
329.13937	1.1
341.13931	12.3
342.14191	1.2
376.87518	0.5
463.08786	0.6
513.66547	0.5
521.20264	100.0
522.20605	18.2
743.97766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01377	12.1
61.98832	6.1
63.86872	0.7
71.01390	5.0
71.42651	1.3
73.02957	1.6
78.95906	1.1
83.01380	0.6
85.02953	2.5
88.98827	1.0
89.02441	1.0
94.91419	0.8
96.96017	1.7
97.02951	0.7
99.04541	1.5
101.02454	2.0
107.05005	0.8
111.04520	0.8
113.02474	2.1
115.00401	1.2
116.92903	0.7
117.01974	0.7
118.21613	0.7
121.06650	0.7
123.04524	0.7
127.11229	1.1
128.03635	0.7
136.05312	1.2
137.06067	1.3
143.03497	1.0
149.06105	4.2
150.06885	63.7
151.07298	2.9
161.09749	0.8
162.06882	6.6
163.07664	10.5
164.08444	9.8
175.02386	1.1
176.08455	1.3
177.09232	8.4
178.10016	3.5
179.10797	36.5
180.11098	2.5
185.77913	0.7
292.20300	0.8
306.18433	0.8
320.19775	1.3
321.20758	2.2
335.22287	1.5
364.22580	2.5
442.73260	0.8
475.34488	2.8
478.33029	7.3
479.33096	1.2
491.33472	3.4
492.34549	13.4
493.35333	100.0
494.35712	17.4
517.35352	1.0
535.36395	5.0
536.36200	0.8
637.39807	17.1
638.39893	4.5
655.40704	2.9
697.42688	7.0
698.40686	2.3
737.22339	0.8
741.21350	0.8
741.37714	0.9
755.24127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71663	8.4
78.95912	30.8
81.47265	4.2
102.67905	4.2
108.88934	3.6
110.62597	3.5
121.67394	3.8
126.85854	3.8
130.81595	3.8
152.99588	39.3
193.90309	4.2
227.03210	5.5
253.21715	27.9
277.21713	87.3
278.22043	5.0
413.20801	5.3
479.12140	5.2
505.25662	100.0
506.25848	12.1
542.46985	4.9
741.47241	35.6
742.47144	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	740.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87339	0.2
61.98833	100.0
62.98519	0.3
71.01400	0.4
71.21516	0.4
74.69621	0.2
78.95927	0.2
79.65694	0.2
91.93279	0.2
94.23025	0.2
120.01938	0.2
138.18800	0.2
147.31087	0.2
152.99591	0.2
167.45534	0.2
188.11559	0.2
224.99089	0.2
277.21719	0.3
279.23422	0.6
280.23697	0.5
398.14288	0.2
505.25824	0.3
577.29108	0.2
713.06744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.07868	0.1
57.03446	0.7
58.00599	0.3
59.01381	100.0
60.01715	0.9
60.01979	0.1
61.98829	0.2
69.80519	0.5
69.80952	0.4
71.01388	11.4
72.99318	0.4
73.02953	3.8
75.00887	0.2
80.48811	0.1
83.01395	1.8
85.02961	5.0
87.00909	0.5
89.02462	3.4
89.58936	0.1
95.01398	0.7
97.02985	0.3
99.00903	1.4
101.02458	8.7
107.01422	0.2
108.64179	0.1
113.02464	4.9
113.03241	0.3
115.00393	0.4
119.03526	1.5
125.02517	0.3
129.01976	0.3
131.03549	0.3
133.01457	0.9
134.03777	0.6
143.03484	0.8
147.08310	0.1
151.00403	0.2
153.09242	0.4
159.03003	0.9
161.04579	4.7
162.04875	0.2
163.04016	0.2
179.05608	1.4
193.05083	0.7
205.03508	0.1
205.12381	0.4
227.03496	1.2
228.03812	0.7
229.04124	0.2
243.03119	0.1
255.02937	2.0
256.03366	1.4
257.03619	0.9
269.10294	10.6
270.10513	0.8
271.02573	0.2
284.03241	2.5
284.06277	0.1
285.03662	1.8
286.03909	1.4
287.04510	0.3
300.02774	0.5
301.03595	0.2
311.11371	10.0
312.11774	1.0
355.10413	0.3
370.91159	0.1
385.18683	4.0
386.19119	0.5
475.12656	0.1
741.21588	3.9
742.21729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.87864	0.8
58.00583	1.2
58.20024	0.9
59.01091	1.3
59.01384	24.7
59.09904	0.8
59.10199	0.8
61.98819	2.7
68.84050	0.9
69.03457	2.3
69.36098	0.9
69.43607	7.2
69.44032	2.6
71.00992	1.4
71.01388	21.7
72.68089	0.9
72.99313	1.8
73.02948	3.7
81.03453	1.0
82.98250	0.8
83.01413	2.3
85.02960	5.0
87.00871	5.4
87.01340	1.1
87.69675	0.9
88.98844	1.0
89.02448	20.5
90.64903	0.8
95.01419	1.5
97.02968	3.8
98.19817	1.6
99.00883	1.9
101.02459	18.5
113.02466	11.1
119.03512	5.3
125.02454	6.0
131.03526	1.2
133.05145	1.2
143.03499	3.1
161.02406	0.8
161.04568	3.2
169.11365	0.9
179.05614	3.7
195.42728	0.8
205.14027	0.9
221.06659	1.9
227.03542	1.1
235.08212	8.8
253.09276	1.3
263.07919	0.9
281.24844	70.2
282.25211	6.0
284.03220	2.4
287.07739	3.3
287.36230	1.0
305.08813	3.0
311.70612	1.1
323.09732	1.1
397.13504	100.0
398.13986	8.5
415.14551	28.6
415.19174	0.7
416.14890	3.3
679.39270	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	739.2106
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.21380	0.5
63.02385	1.0
65.00314	1.0
71.46366	1.5
83.01418	0.6
107.01398	2.1
132.02188	1.9
135.00887	1.6
143.05029	0.8
151.00429	3.7
163.00377	0.9
164.01167	1.0
178.99797	1.1
183.04559	1.1
187.04056	1.3
190.99864	0.6
199.03990	0.8
200.04842	0.8
210.44647	0.5
211.03992	2.7
227.03506	55.7
228.03856	3.1
229.05055	2.1
239.03491	1.6
255.02975	100.0
256.03482	9.4
257.04547	1.6
283.02518	1.6
284.03259	81.1
285.03879	13.8
307.16278	0.6
512.25793	0.6
575.14398	1.1
739.21082	78.5
740.21411	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	739.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64897	0.4
55.01862	1.0
57.03441	0.7
59.01381	12.4
59.21106	0.4
61.98815	0.6
69.03474	0.4
69.64600	1.4
69.65024	2.1
71.01389	14.4
72.99310	0.6
73.02947	3.9
79.50233	0.4
83.01396	2.1
85.02959	5.3
86.00119	1.0
87.00880	3.8
89.02450	5.5
94.06638	2.5
95.01391	1.5
97.02963	0.6
98.20632	0.5
99.00883	1.8
101.01779	0.6
101.02454	10.0
104.05101	0.6
106.06628	1.2
111.00904	0.5
112.52737	0.4
113.02470	6.2
115.00363	0.7
119.03500	1.4
120.01236	0.6
124.07691	2.3
131.03511	3.1
133.01431	0.9
135.04570	0.4
143.03510	0.6
148.04059	10.0
149.04474	0.7
150.05669	0.6
159.03011	1.0
160.04080	5.2
161.04671	7.5
162.05554	1.0
168.06688	3.5
174.05621	1.4
175.02641	0.5
176.03612	0.9
186.05730	0.5
192.03008	0.8
193.03806	1.7
198.05647	0.5
221.06645	2.8
223.05159	1.3
226.08743	3.9
227.03519	3.6
227.09021	0.5
228.03798	0.6
228.10353	0.6
237.06670	1.1
240.09187	0.5
253.09818	39.3
254.10182	3.8
255.02965	6.0
255.11397	3.0
256.03253	0.9
256.09601	0.6
265.09628	0.6
267.11346	2.2
281.09253	1.4
283.10886	34.2
284.03238	8.1
284.11224	3.8
285.03918	2.0
285.12433	10.9
286.12714	1.4
293.09375	1.2
311.10403	8.7
312.10724	0.9
327.09909	6.2
328.10156	0.7
329.11429	6.6
330.11670	0.8
356.09891	0.5
357.10126	0.8
358.10178	1.0
371.12723	0.8
491.16443	0.6
533.17847	3.4
653.22241	1.1
664.81281	0.4
695.23242	100.0
696.23572	23.7
739.21008	7.6
740.21436	1.4
740.38397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01384	10.5
61.98815	2.8
63.02402	0.7
65.00323	0.8
69.58571	4.7
69.58981	1.2
71.01029	1.0
71.01392	9.0
73.02946	2.4
83.01405	1.8
85.02953	3.1
87.00873	2.3
89.02455	3.5
93.03455	2.5
94.06628	0.7
96.96005	0.8
101.02445	4.7
107.01402	2.4
109.02947	0.9
113.02463	2.9
115.00360	2.4
117.03455	2.6
119.03549	1.1
119.05036	1.1
120.01260	1.3
121.02899	0.8
124.07722	0.7
131.03497	1.3
132.02191	5.4
132.73810	0.7
133.01472	4.2
133.02989	2.5
135.00893	1.3
135.04486	1.6
147.04532	1.2
148.04054	2.5
149.02440	0.7
149.06172	0.9
151.00374	3.7
152.01192	0.7
152.87425	0.7
160.04031	2.1
161.02458	19.0
161.04515	3.1
161.05989	0.7
163.00369	0.8
163.03981	0.7
165.01884	0.6
167.05006	0.6
168.06689	1.2
168.88895	0.6
171.04510	1.0
175.02490	1.2
176.01221	0.6
177.01915	2.0
178.99893	1.1
179.03487	1.5
179.05711	1.0
183.04543	1.3
185.06081	1.0
188.01170	6.6
189.01939	20.5
190.02353	1.7
191.03467	1.0
205.01477	1.0
207.02994	2.3
209.06030	1.5
211.03986	2.0
213.05359	0.7
216.00632	14.8
216.02617	1.4
217.01085	1.2
221.06514	1.2
225.05511	0.9
226.08769	1.5
227.03508	39.8
228.03893	2.7
229.05144	1.8
237.05617	1.0
239.03467	1.5
253.05057	3.0
253.09811	14.3
254.10136	0.9
255.02979	73.1
256.03500	9.6
257.04535	2.2
265.05099	1.1
267.02948	2.3
271.02396	0.8
280.03705	0.9
281.04535	4.5
283.02466	2.6
283.10886	11.5
284.03250	100.0
285.03900	20.7
285.12424	3.9
300.02863	1.1
309.04037	31.1
310.04300	3.0
311.05917	0.9
311.10318	3.1
327.05200	1.2
327.09879	2.9
329.11450	2.4
339.04944	2.9
375.16086	1.1
421.05258	0.6
431.08051	0.8
461.17841	0.8
473.10876	58.3
474.11325	7.0
486.11325	0.7
507.13055	1.7
533.17828	1.2
575.14044	1.9
653.21643	0.9
695.23248	33.0
696.23730	6.5
739.21045	76.8
740.21320	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	738.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92070	0.1
52.44153	0.1
59.01374	0.2
61.98831	100.0
62.98534	0.2
65.60885	0.1
68.05708	0.1
71.01412	0.2
71.19385	0.2
84.60056	0.1
86.94219	0.1
276.69797	0.1
278.22110	0.3
293.22888	0.1
315.12668	0.1
378.97220	0.1
393.99857	0.1
397.13525	0.3
398.14044	0.2
399.14008	0.3
400.14362	0.2
529.99707	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01379	29.1
59.88583	0.9
61.98829	6.3
69.03458	1.0
70.77764	1.9
70.78098	1.1
71.01387	25.9
72.99325	2.0
73.02939	4.1
78.95901	2.1
81.03472	1.7
83.01405	4.2
85.02972	6.6
87.00883	6.1
88.33736	0.9
89.02460	21.6
93.12785	0.8
95.01402	2.0
97.02974	3.4
99.00878	2.2
101.02451	21.2
111.04555	1.0
113.02451	10.1
119.03490	4.3
125.02451	8.4
143.03487	3.5
161.04579	5.7
179.05573	3.4
217.07176	1.0
221.06715	1.5
235.08203	10.2
236.08414	1.0
253.09227	3.0
279.23285	81.2
280.23615	9.8
287.07733	3.8
290.85498	1.0
305.08694	3.3
323.09680	1.1
397.13510	100.0
398.13901	11.4
415.14560	33.4
416.14853	3.5
437.83401	0.9
537.58771	1.0
677.37964	3.0
678.38049	1.1
732.01147	1.0
755.37488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09080	0.1
59.01369	0.2
60.63279	0.0
61.98829	100.0
62.98536	0.2
62.99264	0.1
71.01398	0.2
71.48441	0.1
89.02454	0.1
101.02444	0.1
113.02483	0.1
125.02471	0.1
134.83679	0.0
135.31454	0.0
135.93027	0.0
140.35098	0.0
153.77406	0.0
162.05000	0.0
177.64108	0.0
236.08806	0.1
277.21771	0.2
278.22052	0.3
279.22525	0.1
280.22482	0.1
373.85223	0.1
397.13251	0.1
398.13876	0.2
399.14017	0.3
400.14423	0.1
415.14716	0.1
417.14969	0.1
418.15320	0.1
517.45441	0.0
594.37891	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	737.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74123	0.2
59.01365	0.4
69.43874	1.2
69.44297	0.6
71.01387	11.7
72.01736	0.2
72.99317	0.8
74.02470	0.2
85.02962	0.3
87.00887	0.2
89.02442	0.6
91.96675	0.2
93.03498	0.4
115.00389	15.3
116.00713	0.4
117.03474	0.4
119.05045	43.9
120.05385	2.2
127.05148	0.2
128.03561	0.4
129.01974	0.3
133.01451	39.5
134.01781	1.1
134.03748	0.5
135.04567	1.0
137.45038	0.2
163.04028	100.0
164.04359	5.3
179.03493	0.7
180.35933	0.2
193.05072	0.7
205.03525	0.3
209.27568	0.2
255.10211	0.4
279.05090	11.0
280.05371	0.7
457.04352	0.2
504.11066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
56.99427	0.5
57.03427	0.9
58.00578	2.0
59.01379	28.4
61.98820	1.6
69.03440	1.6
71.01385	26.7
71.31596	0.9
72.04111	0.4
72.99310	2.6
73.02958	3.8
81.03464	0.8
83.01382	3.2
83.05041	0.5
85.02954	5.2
87.00890	4.7
89.02453	19.6
95.01385	1.7
97.02963	3.8
99.00893	2.0
101.02454	20.5
109.02908	0.6
110.68708	0.5
111.00862	0.7
111.04549	1.2
113.01698	0.7
113.02457	10.5
116.92803	0.7
119.03509	5.6
121.02936	0.8
124.01739	0.5
125.01652	0.6
125.02470	9.3
131.03452	0.6
133.05045	0.9
139.04034	0.9
141.01761	1.8
143.02513	0.5
143.03481	2.7
149.04649	0.5
157.45148	0.4
161.04568	6.0
167.03519	0.5
179.05632	4.4
185.04607	0.5
199.06091	0.5
217.07242	0.8
221.06642	1.3
227.40871	0.5
235.08231	10.0
236.08499	0.6
240.43665	0.5
253.09248	3.5
277.09213	0.7
279.23276	81.4
280.23621	8.4
287.07791	2.6
305.08731	3.2
306.08972	0.5
323.09900	1.2
332.72223	0.5
335.80655	0.6
379.12555	0.8
397.13519	100.0
398.09036	0.7
398.13922	8.8
398.92380	0.5
415.14560	28.6
416.14972	3.1
668.32288	0.5
677.37567	4.1
678.37988	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	734.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08702	0.9
59.01370	8.4
60.41261	0.9
61.98833	22.6
66.79649	0.9
70.47539	0.8
71.01385	3.5
71.72581	1.3
73.02937	2.1
78.95943	1.3
80.05064	8.0
87.00886	1.0
95.11835	0.9
101.02460	2.4
104.05079	3.8
106.06636	12.7
108.04564	9.7
113.02422	1.1
122.06158	1.1
124.07700	6.1
130.06671	2.4
132.04570	3.0
134.06155	2.4
136.07701	21.6
137.08009	1.1
148.04053	6.5
150.05617	1.5
158.02481	1.2
160.04047	2.3
160.07709	7.3
167.35680	0.9
174.05687	4.5
178.05156	1.9
197.07217	1.1
197.10869	1.3
210.08072	2.0
211.08797	2.1
213.14261	1.3
223.08740	1.5
223.12541	2.1
224.09496	7.3
225.10330	11.2
234.08003	2.3
235.08812	1.2
237.10399	1.6
239.11916	7.3
241.09871	1.4
249.10312	6.6
250.07503	1.8
251.08261	9.4
252.08929	2.4
255.11333	3.2
257.12949	57.6
258.13251	6.8
265.09778	5.2
266.10522	1.4
267.11380	31.5
268.11673	3.2
293.09280	5.7
294.09576	1.4
295.10898	3.0
309.08896	1.1
311.10474	10.6
312.10553	1.1
325.11868	2.6
355.09424	2.5
390.18295	1.9
392.19696	1.5
436.18817	34.0
437.19144	4.5
444.19128	1.9
445.19119	1.1
483.24048	5.7
489.22617	1.6
491.20966	1.4
509.21976	1.8
533.22247	2.1
549.21399	1.4
551.22833	10.2
552.23071	2.4
577.20831	2.2
595.22009	45.7
596.22266	8.1
627.24640	7.4
639.20996	23.3
640.21576	4.9
671.23682	100.0
672.23975	24.4
689.39960	1.1
690.40033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
68.45951	0.1
71.01385	10.7
71.71183	0.2
71.71539	0.2
72.99310	1.9
74.02472	0.2
78.95910	0.7
85.02981	0.2
87.00880	0.3
89.02456	1.5
96.96046	0.3
101.02509	0.2
106.04263	0.2
107.05033	0.5
113.02484	0.1
115.00388	28.2
115.99992	0.1
116.00705	0.8
117.03466	0.3
119.05049	0.4
120.99686	0.2
121.74667	0.1
128.03595	0.3
133.01451	100.0
134.01797	3.0
134.03772	3.2
135.04541	22.4
136.04906	1.5
149.06094	0.2
161.02579	0.2
161.04643	0.2
163.04033	1.1
168.69601	0.1
176.07120	0.3
177.01971	0.4
178.02467	0.2
179.03514	27.2
180.03867	1.6
193.05066	2.6
194.05476	0.3
217.89352	0.1
221.76283	0.1
223.06088	0.2
259.12018	0.2
295.04584	5.3
296.04968	0.7
433.17041	0.7
556.08905	0.2
710.33356	0.2
728.35284	0.2
734.25238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
57.03456	0.2
59.01378	2.4
61.98831	100.0
62.98546	0.2
70.59405	0.3
71.01388	1.8
72.01720	0.1
72.99329	0.2
73.02948	0.6
74.99106	0.1
78.95921	0.1
83.01403	0.3
85.02953	0.7
87.00903	0.3
89.02444	0.8
94.06613	0.1
95.01406	0.2
96.96024	0.1
97.02950	0.1
99.00895	0.2
101.02451	1.1
102.02847	0.1
106.06640	0.7
110.76889	0.1
111.00910	0.1
112.24366	0.1
113.02451	0.8
115.00365	0.4
116.05083	0.2
116.92861	0.1
119.03543	0.2
120.01266	0.4
122.06187	0.1
125.02500	0.2
129.02010	0.1
131.03528	0.2
133.01480	0.2
134.06152	0.2
135.03046	0.1
138.05643	0.1
150.05656	0.4
158.09772	0.2
159.03105	0.1
161.04576	0.4
175.02541	0.3
179.05595	0.1
186.12912	0.4
221.06644	0.1
225.06598	0.1
226.07436	0.4
228.10269	0.1
230.11952	0.2
239.08325	0.2
240.08928	0.2
245.68332	0.1
254.10620	0.3
255.11354	1.8
257.13049	0.1
274.10767	0.5
285.44174	0.1
299.10410	0.8
436.16333	0.1
453.92993	0.1
458.07275	0.1
461.16019	0.1
478.16910	0.5
503.16797	0.5
522.33997	0.1
582.26355	0.1
611.27374	0.2
622.34863	0.1
623.36621	0.7
631.36389	0.3
631.89893	0.1
632.37048	0.1
641.37616	0.2
665.22156	1.2
666.37970	0.8
667.39050	0.6
682.35376	0.3
683.23590	0.5
683.37799	0.3
684.39471	0.3
685.40320	0.3
726.40204	0.1
727.40009	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	725.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.02139	0.5
57.03452	2.1
58.00604	3.9
59.01381	100.0
60.01719	1.4
61.98836	2.9
69.03450	1.0
71.01388	78.4
71.73836	0.6
72.01723	2.0
72.99316	5.2
73.02951	29.3
74.03320	0.6
81.03461	0.6
83.01397	12.9
85.02959	15.2
87.00895	5.6
89.02457	65.0
90.02810	1.1
95.01400	4.7
97.02958	1.3
97.93154	0.8
99.00860	1.6
101.02457	61.0
102.02789	1.2
108.02161	2.7
109.02998	2.9
113.02466	42.2
113.30424	0.5
114.02783	1.4
114.93433	14.5
115.00371	2.6
116.92890	4.6
119.03521	27.8
120.03904	0.6
121.02967	2.9
122.03728	1.8
123.00850	0.5
123.04541	3.1
125.02436	2.1
127.45422	0.5
131.03513	6.6
133.01472	3.9
134.03728	0.8
135.04491	2.3
136.01546	0.5
137.02399	0.9
143.03537	11.8
147.04501	0.6
149.02524	0.8
149.04594	10.2
150.03203	0.8
154.99832	0.6
155.03513	0.5
159.04543	4.4
160.05327	9.3
161.04591	22.4
161.05965	2.6
163.03999	1.2
164.04767	1.2
171.04427	1.1
172.05312	6.3
173.06099	4.3
174.03174	0.9
175.02437	2.3
175.03824	0.5
175.07661	5.7
177.05537	1.4
178.06361	1.0
179.03519	1.8
179.05626	25.9
180.05872	1.3
187.07619	2.8
188.04778	0.6
189.05597	12.0
190.06377	12.6
191.06827	0.6
193.05013	1.3
202.06529	0.7
203.05493	2.3
203.07178	1.0
204.07710	0.6
205.08699	14.4
206.08904	1.0
209.04927	0.5
221.06673	6.2
223.06001	1.3
223.45071	0.5
253.08427	0.6
263.07016	0.7
265.08273	0.6
271.02383	0.9
279.10144	0.7
280.07385	0.6
281.08194	3.6
295.09534	1.4
296.10544	7.7
297.10867	0.8
300.02441	1.5
301.03223	0.8
308.10349	0.9
310.08188	0.7
311.09387	1.3
311.12875	13.4
312.12988	1.2
326.11215	1.6
329.13922	3.5
341.13956	44.1
342.14182	5.2
447.16147	0.6
477.77740	0.6
503.19208	49.8
504.19611	7.7
521.20264	47.5
522.20630	9.2
563.21399	28.0
564.21930	6.0
609.14038	2.6
652.91498	0.6
665.24640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
61.98833	100.0
62.98539	0.2
62.99263	0.1
69.03479	0.1
71.01387	0.8
71.73921	0.1
71.74275	0.1
73.02948	0.5
75.00860	0.1
83.01422	0.2
85.02974	0.3
85.15217	0.1
87.00903	0.3
89.02465	0.3
92.38647	0.1
93.31128	0.1
95.01453	0.1
97.06596	0.1
99.00874	0.1
101.02481	0.6
103.91524	0.1
109.06647	0.1
110.83697	0.1
113.02481	0.3
114.22392	0.1
115.00404	0.3
119.03532	0.1
120.01256	0.1
120.99673	0.4
130.06699	0.1
133.01460	0.1
135.08180	0.1
154.99945	0.1
157.01372	0.1
161.04611	0.1
175.02498	0.2
179.05704	0.1
209.52005	0.1
334.31570	0.1
336.51749	0.1
528.80023	0.1
564.35608	0.1
593.32208	0.1
600.04382	0.1
621.35205	0.4
629.35291	0.1
639.36261	0.3
680.23956	0.1
680.34583	0.3
681.35223	1.4
725.39124	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	723.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03449	1.0
58.00600	0.3
59.01381	15.5
59.96880	0.3
61.62236	0.3
61.98837	2.6
62.00851	0.3
62.30742	0.2
69.03461	0.5
69.89527	1.2
69.89940	0.7
71.01387	19.9
72.01751	0.4
72.99319	1.1
73.02948	6.0
75.00873	0.3
78.03493	0.3
83.01401	2.1
85.02965	8.1
86.00105	0.8
87.00890	6.2
89.02457	7.3
95.01405	1.2
97.02966	0.6
98.19880	0.6
99.00896	1.3
101.02460	11.6
102.02811	0.4
104.05075	1.3
106.06638	8.5
107.07011	0.5
108.08206	4.6
111.00928	0.5
113.02468	7.4
115.00386	0.3
116.92834	0.6
119.03531	2.2
120.01286	0.4
125.02446	1.0
125.99726	0.3
128.21892	0.3
129.01915	0.6
131.03526	4.4
133.01453	0.3
134.06165	1.1
136.07759	0.3
143.03542	1.0
148.04063	15.9
149.04451	0.9
152.07220	3.0
152.76468	0.3
159.03017	1.3
160.04063	9.3
160.05341	0.5
161.04744	13.3
162.05655	2.4
164.03517	0.4
174.05681	0.4
175.02670	1.0
179.05626	1.3
192.02998	0.7
193.02217	0.5
193.03819	4.2
194.04158	0.3
210.05612	0.4
212.07039	0.3
221.06677	4.2
237.06711	0.7
240.10277	2.4
242.11868	0.6
251.08167	0.6
267.11380	6.1
268.09491	0.8
268.12079	0.4
269.12949	15.6
270.13367	1.4
287.35815	0.3
295.10889	61.4
296.11224	5.9
311.10419	0.6
313.11942	7.4
314.12265	0.8
355.12933	1.3
360.49237	0.3
393.40787	0.3
457.16138	0.6
475.17120	0.9
517.18195	3.6
518.18298	0.5
637.22461	1.2
638.23602	0.4
679.23773	100.0
680.24060	21.6
691.21649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	95.9
58.03787	1.6
59.01381	18.2
61.98833	17.9
71.01386	6.8
71.72474	1.4
72.99305	1.0
73.02939	3.7
81.03453	1.7
83.01389	2.2
85.02967	1.8
87.00866	2.7
88.98811	1.2
89.02433	1.8
96.23775	0.7
96.96023	1.1
99.00867	0.9
99.04535	51.8
99.92551	1.0
100.04832	1.8
101.02459	18.1
108.85028	0.8
113.02434	2.3
115.00388	2.2
119.04999	1.0
125.02463	21.4
127.48732	0.8
132.05182	0.7
133.01459	1.4
137.09734	0.8
140.22087	0.9
161.04419	1.1
174.01604	1.2
175.02509	1.9
242.02577	0.9
257.04636	1.3
258.01785	1.8
268.44925	0.7
270.01804	1.6
271.02405	0.8
285.04047	1.7
286.01132	3.1
301.03552	4.3
313.03577	2.0
314.00708	9.5
329.03024	27.1
330.03308	3.1
344.05368	17.8
345.05783	2.9
357.02521	3.3
359.03256	1.3
359.07703	26.9
360.08157	3.5
372.04739	4.0
373.05515	1.5
387.07214	29.8
388.07623	4.3
402.04181	1.5
402.09512	16.6
403.10104	4.3
417.11911	100.0
418.12253	11.8
628.46613	0.9
679.33496	7.2
680.33911	0.9
681.01819	0.9
723.36530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20962	0.1
53.67609	0.2
59.01377	2.7
60.99302	0.2
61.98832	100.0
62.98566	0.2
69.03484	0.1
70.61513	0.1
70.86169	0.2
70.87979	0.3
71.01394	1.3
73.02950	0.5
78.95924	0.2
79.05536	0.2
83.01417	0.3
83.05031	0.2
85.02968	0.5
87.00888	0.2
88.98829	0.3
89.02477	0.4
93.03491	0.5
93.12952	0.1
93.34259	0.2
95.05069	0.2
96.96019	1.3
96.96956	0.2
99.92587	0.2
101.02451	0.7
106.06731	0.2
109.06644	0.2
113.02471	0.4
115.00414	0.7
115.92088	0.1
116.92879	0.5
119.03619	0.2
119.05046	4.5
120.01325	0.2
120.05418	0.2
121.02972	18.0
122.03330	0.6
124.07705	0.2
125.02483	0.2
133.01447	0.3
141.05550	0.2
145.06673	0.2
148.04071	0.2
161.04663	0.3
163.04034	1.0
171.08174	0.2
175.02580	0.3
195.13962	0.2
215.06001	0.2
221.04477	0.2
227.14445	0.3
236.16537	1.5
237.14980	0.5
238.18111	1.9
239.18517	0.2
243.08035	0.2
250.18207	0.4
252.19691	1.6
256.19104	0.9
263.16626	0.3
267.11859	0.2
269.13046	0.3
278.17712	0.4
296.18674	0.8
338.21475	0.3
356.22226	1.4
425.14642	0.2
522.34045	0.2
535.37524	2.3
535.45215	0.2
536.37891	0.4
555.26813	0.2
595.41083	1.1
599.25574	0.6
652.16888	0.2
657.41327	12.4
658.41687	3.1
675.11115	0.2
676.37134	0.4
720.38318	0.3
721.23804	0.2
721.36993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01370	1.4
63.96234	0.8
64.44341	0.3
64.97014	0.5
67.83733	0.4
71.01391	1.8
74.99105	39.3
79.95746	11.6
80.96532	2.7
85.02972	1.9
87.20863	0.3
89.02476	0.4
95.95245	44.9
96.96025	81.4
97.95948	0.4
98.19799	0.5
101.02453	1.3
109.16537	0.3
119.03503	0.5
127.92529	0.5
128.93272	0.5
132.04616	0.8
133.01465	0.9
138.97093	1.0
145.05061	0.5
166.03322	2.7
176.25821	0.3
195.03369	1.4
195.40233	0.3
212.00204	0.8
213.15021	0.3
214.98480	0.6
230.67921	0.3
259.01276	2.2
274.99042	1.4
379.72763	0.3
395.42587	0.4
408.04303	100.0
409.04596	11.6
410.04153	0.4
424.03696	0.7
475.16238	0.3
562.91675	0.4
635.94629	0.4
697.82367	0.4
744.30652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
63.96252	0.6
64.97022	0.5
71.01385	1.9
73.98299	0.4
74.99104	38.8
75.33498	0.3
75.99442	0.6
79.95269	0.6
79.95741	12.1
80.96521	3.2
85.02953	1.4
89.02457	0.6
95.94775	1.0
95.95243	43.9
96.96023	83.7
97.95932	0.4
98.20667	0.5
101.02459	0.7
119.03523	0.9
127.92464	0.5
132.04602	0.5
133.01443	1.4
138.97121	0.9
166.03343	3.2
179.03525	0.6
186.49713	0.4
195.03368	1.1
212.00224	0.6
214.98416	0.9
229.70818	0.5
259.01257	2.3
274.98972	1.5
408.04297	100.0
409.04584	9.3
415.85556	0.4
424.03714	0.9
523.66931	0.4
631.81171	0.4
743.24280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98830	100.0
62.98523	0.1
70.89761	0.2
71.01417	0.2
81.76037	0.1
85.02949	0.1
89.02447	0.2
101.02500	0.1
142.95758	0.1
148.17030	0.1
255.23323	0.2
256.23724	0.2
257.24048	0.1
290.34656	0.1
387.45773	0.1
397.13705	0.2
398.13989	0.4
399.14124	0.5
400.14752	0.2
416.15149	0.1
417.15036	0.1
417.75146	0.1
643.44696	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	719.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.7
69.52480	0.6
69.53112	4.6
71.01385	4.8
89.02442	8.0
90.48737	0.7
93.73412	0.6
101.02476	3.3
111.75146	0.5
113.02477	2.7
118.54092	0.6
119.03510	2.4
131.03503	0.6
161.04588	0.8
179.05629	3.4
186.03624	0.6
191.92090	0.7
197.02199	0.8
215.03317	4.2
223.67445	0.8
256.43567	0.6
272.83984	0.6
293.12570	0.6
341.10861	18.1
341.14749	1.2
342.11053	1.6
377.08563	100.0
378.08884	7.3
482.89874	0.7
496.87042	0.7
578.87946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40525	0.1
55.78038	0.1
59.01379	0.4
60.23748	0.1
61.98832	100.0
62.98534	0.4
64.43987	0.1
70.14156	0.2
70.14573	0.6
71.01387	0.2
72.13163	0.1
76.25394	0.1
98.19950	0.2
102.16727	0.1
111.82529	0.1
116.92869	0.4
149.43489	0.1
180.24532	0.2
253.21649	0.2
361.64532	0.2
398.14136	0.2
399.14154	0.2
452.92319	0.2
481.63837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06083	0.1
59.01374	0.2
61.98831	100.0
62.98531	0.2
62.99255	0.1
71.01402	0.2
71.05708	0.1
89.02454	0.1
97.02991	0.1
101.02477	0.1
127.52355	0.1
133.00429	0.1
220.37865	0.1
255.23372	0.2
256.23682	0.2
257.24075	0.1
262.42163	0.1
331.43497	0.1
397.13382	0.1
398.13928	0.2
399.14001	0.2
400.14172	0.1
406.37115	0.1
416.15283	0.1
419.37097	0.1
442.89969	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03443	2.6
58.00607	1.2
59.01377	45.4
60.01720	1.0
61.98830	13.3
69.03463	1.9
70.63712	0.7
71.01388	51.2
71.73130	1.0
71.73540	1.1
72.99310	2.4
73.02956	13.6
82.06644	1.0
83.01407	5.1
85.02960	18.0
86.00106	2.1
87.00887	12.4
88.98820	1.4
89.02454	25.7
95.01396	3.7
96.96041	1.1
97.02970	1.7
99.00898	4.0
101.02460	33.8
106.06641	1.1
108.04582	3.1
110.06152	3.5
112.07753	1.1
113.02463	21.7
115.00404	1.9
118.06639	3.7
119.03532	8.1
120.08224	2.5
121.02908	0.9
122.06142	5.5
125.02473	3.0
131.03528	11.2
133.01445	2.4
134.06168	3.7
135.04549	1.5
138.05653	0.9
140.07195	46.3
141.07561	1.7
143.03503	4.7
149.04581	1.4
150.05586	1.5
155.03520	1.1
159.03027	2.8
161.04579	16.9
162.05663	12.9
163.06467	3.7
164.07162	2.2
174.01723	1.3
175.02429	1.4
178.05095	5.7
179.03490	1.9
179.05638	10.5
186.12938	2.5
221.06676	16.3
229.13437	4.5
259.14487	9.1
263.07700	4.1
285.12357	1.0
303.13510	100.0
304.13834	9.7
317.15060	2.1
341.10922	1.0
345.14606	15.5
346.14963	1.4
375.15659	1.3
389.25543	1.8
405.16718	8.6
406.17117	0.8
447.17798	2.9
465.18726	11.5
466.19083	1.9
467.15433	0.9
481.14911	1.2
507.19858	83.7
508.20197	13.4
609.23694	1.5
627.24188	3.7
647.55011	1.0
651.24377	2.1
669.24969	77.1
670.25397	18.0
713.36224	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	713.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
57.03387	1.2
58.00551	0.8
58.64023	0.4
59.01312	14.9
59.01643	1.5
62.75677	0.4
68.99770	0.9
71.01311	24.2
72.99243	1.1
73.02879	4.6
80.05026	0.7
83.01398	2.4
85.02959	8.4
86.00011	1.1
87.00883	6.4
89.02451	12.3
92.05007	0.9
94.06632	8.4
95.01319	1.9
96.00814	0.4
97.02898	0.5
99.00899	1.9
101.02459	13.7
101.03075	0.8
104.05074	2.0
106.06647	3.1
107.20311	0.5
108.04582	2.6
111.00816	0.6
113.02460	10.9
115.00396	3.7
117.03423	0.6
119.03413	3.1
119.05046	10.3
119.46728	0.4
120.05316	0.6
122.06028	1.4
124.07698	9.5
125.02414	0.7
125.08006	0.5
129.01817	0.5
131.03523	5.7
132.04575	17.5
133.01457	5.1
133.04858	0.7
134.03763	3.5
138.05510	0.8
140.07120	0.6
143.03371	1.6
144.04509	0.8
146.06029	1.0
148.04048	0.9
150.05629	2.5
158.02498	2.0
158.06052	1.1
159.02927	1.4
160.04077	1.9
161.04593	8.2
163.04028	21.3
164.04298	1.5
164.07022	0.5
168.06676	20.3
169.06909	0.9
174.05510	0.8
175.02426	0.6
176.03548	3.7
177.04210	0.5
179.05481	2.0
179.07014	0.9
180.06696	2.7
182.08119	1.3
182.09604	0.6
188.03485	2.5
189.04297	3.1
190.05113	10.2
191.05363	0.7
192.06592	0.8
193.05077	5.1
194.05186	0.4
207.05496	0.5
209.10753	0.7
210.07516	0.8
210.09312	0.9
212.10611	0.5
213.10362	1.0
221.06694	6.0
229.92294	0.6
235.08633	0.6
237.10327	20.7
238.10567	1.6
239.11862	2.3
240.10030	0.7
251.11678	1.5
253.09666	1.2
254.08195	2.4
255.11200	1.1
263.07889	0.8
265.09735	2.1
266.07977	0.5
267.11380	12.1
268.11542	1.3
269.10223	0.6
269.12927	8.8
270.13342	0.9
277.09705	0.6
279.04962	2.1
279.07703	0.8
281.09311	6.7
282.09717	0.5
283.10815	2.7
284.09177	0.5
285.12451	2.3
287.13739	0.6
289.11868	2.5
293.08975	0.8
295.07831	0.5
295.10925	8.0
296.11057	0.9
297.12244	1.8
303.13272	1.3
311.10388	23.7
312.10587	2.7
313.11923	15.1
314.12094	1.3
325.11893	3.1
326.12012	0.5
327.13284	1.5
329.11176	0.7
331.12927	1.8
339.06268	0.7
339.09918	9.9
340.10205	0.6
343.12753	0.7
353.11356	2.1
355.09119	2.7
355.12967	1.8
357.10950	6.4
358.11130	1.5
369.10800	1.3
371.12381	3.9
372.12656	0.6
373.14063	0.8
389.13651	0.8
399.11887	1.1
431.14322	0.6
433.20734	1.4
493.17926	1.4
507.19656	0.7
517.18298	2.5
519.15973	0.6
561.17297	3.7
562.17157	0.8
575.18951	1.7
593.19696	0.6
613.22858	4.0
614.23083	0.8
637.22668	14.7
638.22968	2.6
653.22504	0.7
663.20740	1.0
681.21692	100.0
682.21979	20.7
695.23285	13.4
696.23529	3.0
713.24274	15.8
713.34845	0.7
714.24139	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	712.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48917	0.1
59.01379	0.1
61.98831	100.0
62.98531	0.3
69.64724	0.4
69.65149	0.3
71.01434	0.1
71.62957	0.1
87.00864	0.1
130.71680	0.1
134.06161	0.4
170.80484	0.1
178.05136	0.1
207.06438	0.1
210.43945	0.1
378.84042	0.1
417.44327	0.1
544.16656	0.1
712.38092	0.1
729.98962	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
57.03387	1.2
58.00551	0.8
58.64023	0.4
59.01312	14.9
59.01643	1.5
62.75677	0.4
68.99770	0.9
71.01311	24.2
72.99243	1.1
73.02879	4.6
80.05026	0.7
83.01398	2.4
85.02959	8.4
86.00011	1.1
87.00883	6.4
89.02451	12.3
92.05007	0.9
94.06632	8.4
95.01319	1.9
96.00814	0.4
97.02898	0.5
99.00899	1.9
101.02459	13.7
101.03075	0.8
104.05074	2.0
106.06647	3.1
107.20311	0.5
108.04582	2.6
111.00816	0.6
113.02460	10.9
115.00396	3.7
117.03423	0.6
119.03413	3.1
119.05046	10.3
119.46728	0.4
120.05316	0.6
122.06028	1.4
124.07698	9.5
125.02414	0.7
125.08006	0.5
129.01817	0.5
131.03523	5.7
132.04575	17.5
133.01457	5.1
133.04858	0.7
134.03763	3.5
138.05510	0.8
140.07120	0.6
143.03371	1.6
144.04509	0.8
146.06029	1.0
148.04048	0.9
150.05629	2.5
158.02498	2.0
158.06052	1.1
159.02927	1.4
160.04077	1.9
161.04593	8.2
163.04028	21.3
164.04298	1.5
164.07022	0.5
168.06676	20.3
169.06909	0.9
174.05510	0.8
175.02426	0.6
176.03548	3.7
177.04210	0.5
179.05481	2.0
179.07014	0.9
180.06696	2.7
182.08119	1.3
182.09604	0.6
188.03485	2.5
189.04297	3.1
190.05113	10.2
191.05363	0.7
192.06592	0.8
193.05077	5.1
194.05186	0.4
207.05496	0.5
209.10753	0.7
210.07516	0.8
210.09312	0.9
212.10611	0.5
213.10362	1.0
221.06694	6.0
229.92294	0.6
235.08633	0.6
237.10327	20.7
238.10567	1.6
239.11862	2.3
240.10030	0.7
251.11678	1.5
253.09666	1.2
254.08195	2.4
255.11200	1.1
263.07889	0.8
265.09735	2.1
266.07977	0.5
267.11380	12.1
268.11542	1.3
269.10223	0.6
269.12927	8.8
270.13342	0.9
277.09705	0.6
279.04962	2.1
279.07703	0.8
281.09311	6.7
282.09717	0.5
283.10815	2.7
284.09177	0.5
285.12451	2.3
287.13739	0.6
289.11868	2.5
293.08975	0.8
295.07831	0.5
295.10925	8.0
296.11057	0.9
297.12244	1.8
303.13272	1.3
311.10388	23.7
312.10587	2.7
313.11923	15.1
314.12094	1.3
325.11893	3.1
326.12012	0.5
327.13284	1.5
329.11176	0.7
331.12927	1.8
339.06268	0.7
339.09918	9.9
340.10205	0.6
343.12753	0.7
353.11356	2.1
355.09119	2.7
355.12967	1.8
357.10950	6.4
358.11130	1.5
369.10800	1.3
371.12381	3.9
372.12656	0.6
373.14063	0.8
389.13651	0.8
399.11887	1.1
431.14322	0.6
433.20734	1.4
493.17926	1.4
507.19656	0.7
517.18298	2.5
519.15973	0.6
561.17297	3.7
562.17157	0.8
575.18951	1.7
593.19696	0.6
613.22858	4.0
614.23083	0.8
637.22668	14.7
638.22968	2.6
653.22504	0.7
663.20740	1.0
681.21692	100.0
682.21979	20.7
695.23285	13.4
696.23529	3.0
713.24274	15.8
713.34845	0.7
714.24139	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	711.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03448	0.5
58.00585	1.5
59.01381	27.2
60.99328	0.5
61.98835	5.3
69.03466	1.2
71.01386	23.6
71.20181	1.3
72.01737	0.7
72.99310	2.0
73.02945	4.5
75.06371	0.6
75.96967	0.5
81.03460	1.1
83.01390	3.0
85.02953	5.5
87.00886	5.6
89.02454	22.2
91.03992	0.7
95.01382	2.0
97.02969	3.9
99.00887	1.3
101.02457	22.0
102.02843	0.5
103.04005	0.6
111.04532	1.0
113.02463	9.7
119.03527	6.0
119.28732	0.6
125.02459	8.6
131.03505	1.0
133.05074	0.9
139.04050	0.7
143.03523	3.1
145.02664	0.5
161.04564	5.7
179.05672	4.1
221.06647	1.2
235.08211	9.0
236.08710	0.6
245.06590	0.6
249.03859	0.5
253.09309	2.7
253.21710	76.9
254.09668	0.7
254.22060	7.2
287.07639	2.5
305.08813	2.5
321.85898	0.5
323.09903	1.0
371.10083	0.5
379.12503	0.9
397.13519	100.0
398.13821	11.1
415.14560	29.0
416.15048	2.8
651.36005	6.8
652.36865	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	710.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
61.98831	100.0
62.98533	0.1
64.86571	0.1
68.01853	0.1
69.39232	0.7
71.01396	0.2
83.01400	0.1
84.89872	0.1
92.82532	0.1
101.02490	0.1
113.02491	0.1
115.00409	0.1
132.12079	0.1
410.03845	0.1
488.64288	0.1
554.92688	0.1
603.44666	0.1
619.36035	0.1
647.35693	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45484	0.2
55.01875	0.7
57.03432	0.5
58.10230	0.2
58.10531	0.2
59.01382	100.0
60.01706	0.9
61.98829	0.4
69.03465	0.3
69.68848	1.6
69.69184	0.3
70.74231	0.2
71.00993	0.5
71.01386	9.0
72.99326	0.4
73.02956	3.8
75.00922	0.2
80.86333	0.2
83.01392	1.5
85.02953	4.6
87.00916	0.4
89.02472	0.8
95.01424	0.6
96.98323	0.2
97.02987	0.3
98.02512	0.8
99.00896	1.7
101.02463	7.0
105.22470	0.2
113.02483	3.7
113.03603	1.0
113.07230	1.8
115.00391	0.9
119.05054	0.4
125.02490	0.3
127.05175	1.0
128.03568	0.5
129.01974	0.3
133.01448	2.9
133.02983	0.2
134.03760	1.1
135.04572	0.5
143.03535	0.5
151.08798	0.3
152.07185	0.2
159.03052	0.7
161.04584	3.5
175.02625	0.2
179.03502	0.5
180.07828	0.2
193.05110	1.5
194.05606	0.2
222.16232	1.0
248.82695	0.2
266.15189	0.4
269.10300	11.2
270.10754	0.9
298.17725	0.3
311.11359	6.5
311.14752	0.3
312.11658	0.7
352.90439	0.2
391.24307	0.2
410.68646	0.2
463.08780	0.4
531.45343	0.2
536.27338	0.2
553.87054	0.2
579.31537	2.4
580.29889	0.4
676.33264	0.3
694.34363	1.6
711.24725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26931	0.2
57.03424	0.2
59.01368	0.4
71.01386	16.8
71.35992	0.2
71.71406	0.4
72.01693	0.3
72.99325	0.7
76.81811	0.2
85.02977	0.7
87.00919	0.4
87.55349	0.2
88.04042	0.3
89.02459	0.8
89.03983	0.8
96.96029	0.4
106.04255	0.3
107.05051	0.4
115.00387	16.2
116.00751	0.5
117.03476	4.1
119.05040	1.6
120.01331	0.3
121.02980	0.4
127.30849	0.3
128.03545	0.8
129.01938	0.3
133.01451	36.1
133.03046	1.3
134.03757	49.0
135.04604	6.5
136.04860	0.5
137.02432	0.8
149.06107	5.9
154.99933	0.3
155.75812	0.2
161.04558	0.2
163.04001	3.5
176.07204	0.9
177.01898	0.5
178.02728	4.8
179.03516	7.0
180.03864	0.5
193.05070	100.0
194.05415	5.5
195.85312	0.2
209.03113	0.3
223.04691	0.4
225.58189	0.2
279.05130	0.5
295.04553	1.4
309.06140	5.9
310.06357	0.6
415.21863	1.1
416.10007	1.3
476.23343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46332	0.1
59.01377	1.8
61.98831	100.0
62.25194	0.1
62.98524	0.2
71.01387	1.7
71.01759	0.1
72.99319	1.4
73.02958	0.3
83.01445	0.1
83.05022	0.1
85.02969	0.3
85.06681	0.1
87.00883	1.5
88.98848	0.1
89.02474	0.3
96.96038	0.2
99.00879	0.8
101.02467	0.2
104.04646	0.1
106.06683	0.2
112.98825	1.6
113.02502	0.2
113.99635	0.2
115.00387	4.8
116.00745	0.2
116.92888	0.2
117.01961	1.7
120.01299	0.2
128.03470	0.1
129.01988	0.1
133.01469	0.1
134.06148	0.1
140.51532	0.1
142.99886	2.3
143.01012	0.1
145.01459	0.2
146.06337	0.1
157.01419	0.1
160.08989	0.1
161.04581	0.1
165.07588	0.1
173.00931	1.9
174.01692	1.2
174.12912	0.2
175.02498	4.6
176.02856	0.1
188.03520	0.1
216.17636	0.1
221.19113	0.1
234.14880	0.6
236.00461	0.9
236.16545	2.4
237.16927	0.2
242.15578	0.1
246.14996	0.2
248.16559	1.2
250.18227	0.2
254.17622	1.1
255.17786	0.1
257.12772	0.1
260.16562	0.6
264.15979	0.4
270.14926	0.4
271.15533	0.1
274.18204	0.2
276.16162	0.2
278.17581	0.5
288.16089	0.5
294.17123	0.2
306.16962	0.4
372.12781	0.1
463.25449	0.2
487.35431	0.2
501.33304	0.6
505.26428	0.9
515.34900	1.0
529.32782	1.1
530.33588	0.1
531.34784	0.2
543.34265	2.0
544.34436	0.5
547.33783	0.9
548.34802	0.1
555.34308	0.5
556.35229	0.2
559.34052	0.2
569.32605	0.1
585.35718	0.2
587.33392	3.5
588.33722	0.8
616.65399	0.1
629.34534	0.8
630.35095	0.2
647.35773	0.3
660.24591	0.2
692.26587	0.2
710.28534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28884	0.3
55.01883	0.6
57.03452	0.4
59.01380	100.0
60.01721	1.4
61.16780	0.4
61.98837	0.7
67.88036	0.3
68.88491	0.3
71.01388	17.1
71.05021	0.4
71.73692	0.4
72.01725	0.8
72.99306	0.9
73.02946	3.9
73.04074	0.4
74.02475	1.1
75.00839	0.4
75.17834	0.4
78.95899	0.4
79.41530	0.4
83.01411	2.9
85.02956	5.7
87.00919	1.1
88.04053	0.7
89.02444	2.5
95.01418	0.7
96.96041	0.5
99.00886	1.8
101.02458	9.8
102.74050	0.4
111.00928	1.0
112.98825	1.1
113.02476	4.7
113.07146	0.4
115.00394	6.6
116.00716	0.7
117.03482	0.7
119.05043	22.7
120.01270	0.4
120.05377	5.2
125.02495	0.4
127.00417	0.6
127.05167	0.7
128.03563	0.8
129.01981	0.5
133.01453	10.7
134.01773	0.8
134.03723	2.3
135.04550	0.8
136.01697	0.6
138.06839	0.4
143.03551	0.6
147.04555	0.5
149.06067	0.5
150.03279	1.3
151.04053	1.7
152.08430	0.9
153.09242	2.1
154.99940	0.6
159.03018	1.1
161.04576	4.8
162.46512	0.4
163.04027	49.2
164.04366	13.3
164.05768	0.7
164.07262	0.5
165.05585	0.9
172.10924	0.5
175.02583	0.7
178.02733	0.4
179.03522	0.5
179.05595	0.5
180.04134	0.4
193.05034	3.1
195.06615	0.6
205.03500	0.4
205.12354	1.2
210.06737	0.4
223.13457	1.2
235.11862	18.9
236.12198	0.7
267.29370	0.4
277.12918	13.2
278.13303	0.9
279.05109	2.9
280.05396	1.5
301.10861	0.6
310.07452	0.4
320.16083	0.8
321.12039	0.9
321.15796	1.6
385.18536	1.9
389.12759	0.5
397.66522	0.4
428.25305	1.8
497.18304	0.5
679.19800	0.6
707.36292	1.1
708.28174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
58.00578	1.4
59.01384	38.8
61.64219	0.8
61.98835	11.7
63.56449	0.8
68.99831	1.1
71.01390	39.5
71.73969	1.6
72.01706	1.5
72.99321	6.6
73.02953	8.1
74.99103	0.9
75.00864	2.8
78.95904	2.1
80.05063	1.0
81.03438	1.1
83.01395	8.8
85.02966	9.2
87.00885	30.1
87.04535	0.9
88.98798	1.4
89.02451	14.0
95.01400	2.6
96.48268	0.9
96.96019	2.0
96.96962	0.8
97.02966	2.3
99.00909	1.9
99.04533	0.8
99.92606	1.5
101.02457	13.4
109.06600	1.0
111.00886	4.3
112.98805	3.3
113.02460	12.6
115.00390	78.9
115.92083	1.0
116.00700	2.2
116.92844	2.2
119.03553	5.8
119.05031	2.8
120.01247	2.0
121.06664	0.8
125.02473	1.1
125.06101	0.9
127.00371	1.3
128.03535	2.1
129.01984	1.3
131.03523	1.7
131.07179	0.7
131.68579	0.9
132.04558	1.1
133.01436	3.7
134.03708	0.9
134.06067	1.4
135.02975	1.9
135.04507	3.4
135.11852	5.2
135.98325	1.4
139.00395	2.7
143.03473	2.1
144.05782	0.9
149.04620	1.3
150.05661	1.4
154.99896	1.8
157.01466	7.7
159.08200	2.1
159.11768	1.0
161.04599	1.3
161.09752	4.6
161.10902	1.0
163.04042	2.0
163.11330	1.3
165.12778	1.1
174.01637	1.0
175.02505	100.0
176.02835	2.4
179.03499	0.9
179.05730	4.3
179.10805	26.9
180.11191	1.3
187.07468	0.9
193.12337	1.1
203.10782	2.3
205.08699	1.6
218.86859	0.9
221.06461	0.8
221.11826	0.9
223.09764	5.7
227.12842	3.7
227.53847	0.8
228.13277	0.9
253.09953	1.1
255.11308	0.9
267.11438	0.9
283.10916	1.2
306.07410	0.9
323.09952	1.6
341.10889	2.6
343.13388	1.4
349.19913	0.9
363.10883	1.2
367.14093	2.9
381.11884	5.6
413.50372	1.0
456.29453	2.0
457.30115	1.2
466.77969	0.8
525.16034	10.0
526.16382	2.1
529.19257	1.6
547.12421	1.6
547.20239	14.5
548.20300	1.7
589.19214	4.6
590.18964	1.2
660.36255	3.9
661.26807	1.1
661.37238	7.2
670.32092	0.9
673.21362	1.9
705.22595	66.7
706.22937	12.8
706.34058	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	705.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
57.03473	0.9
58.35515	0.6
59.01381	100.0
59.95094	0.8
60.01714	1.0
61.98840	1.4
68.41175	0.6
68.62687	0.7
69.03461	1.8
70.88538	2.1
71.01388	41.5
72.01746	1.5
72.99322	3.0
73.02954	40.6
74.03328	0.7
75.00873	1.6
79.64292	0.6
81.03477	0.8
83.01395	12.6
85.02955	6.3
87.00903	3.0
89.02449	14.6
90.99699	0.7
92.69686	0.7
95.01422	2.9
97.02938	1.0
101.02460	51.2
109.06701	0.7
112.43475	0.7
113.02472	21.3
113.03246	1.2
115.00407	3.0
119.03537	8.1
119.05019	1.0
125.02485	2.1
129.36111	0.7
131.03522	5.1
133.01537	1.1
135.04572	1.0
143.03525	7.6
149.04584	7.5
154.99960	0.7
155.03543	1.3
161.04584	13.2
162.57719	0.7
175.02545	1.4
178.97403	0.6
179.03581	0.6
179.05652	2.4
179.10818	0.7
203.05692	2.1
221.04752	0.7
221.06631	3.4
399.77200	0.7
437.27649	0.7
507.27731	0.8
515.24854	1.6
661.24878	1.2
705.23065	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	704.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
60.01706	0.2
61.01818	0.1
61.98830	100.0
62.98538	0.2
62.99267	0.1
70.58934	0.2
78.95927	0.3
86.98740	0.0
96.96968	0.1
116.33271	0.0
223.12511	0.0
321.96829	0.0
337.71042	0.1
441.13428	0.1
455.15671	0.1
482.16061	0.1
483.15482	0.3
484.15408	0.8
485.16080	0.1
497.17020	0.1
498.17200	0.3
499.18555	0.1
500.18582	0.1
516.15784	0.1
542.16333	0.1
543.17145	0.2
555.18781	0.1
556.19287	0.1
557.19000	0.5
557.58405	0.1
558.19220	1.5
559.19696	0.1
574.15466	0.1
575.15808	0.4
589.17151	0.2
617.31042	0.1
643.23297	0.1
644.22888	0.9
645.23035	0.1
703.25616	0.1
704.24329	3.6
705.23584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03441	2.0
58.00590	1.4
59.01379	30.7
61.98818	2.3
63.15051	0.5
63.96242	0.5
65.82173	0.5
67.01889	0.6
68.99799	0.8
69.03461	1.0
69.47184	5.9
71.01384	31.0
72.01711	0.8
72.99309	3.3
73.02944	4.7
75.00882	2.1
75.28245	0.5
78.95916	0.9
79.05537	0.8
80.91643	0.5
83.01397	10.0
83.05061	1.0
85.02959	12.0
87.00884	23.1
88.98798	0.9
89.02457	21.3
95.01387	2.5
97.02960	1.4
98.20650	1.2
99.00888	2.2
101.02464	11.1
110.02505	0.5
111.00886	6.4
112.98821	1.9
113.02462	14.5
115.00389	59.6
116.00742	1.4
116.92851	1.1
119.03513	6.5
119.04973	1.3
119.08760	0.5
120.01351	0.6
120.05783	0.7
123.08186	0.7
123.84209	0.5
125.02447	2.0
125.06092	1.0
127.00400	1.1
127.05132	0.7
129.01938	1.7
131.03511	1.8
133.01445	1.3
133.06601	0.7
135.03029	1.2
135.04559	1.8
135.11847	5.7
139.00385	6.8
143.03503	1.4
143.08704	0.8
154.99873	0.9
157.01451	13.1
159.08194	0.9
159.11807	1.4
161.04541	3.2
161.09744	5.6
163.03992	0.7
175.02493	27.4
176.02782	0.9
177.12856	1.0
179.03470	0.9
179.05704	2.9
179.10794	23.2
180.11180	1.7
193.12192	0.7
203.10806	2.8
205.08719	1.2
221.11879	0.7
223.09755	4.9
229.08711	1.8
247.09689	0.9
265.10632	0.7
323.09763	2.5
341.10886	6.6
342.11221	0.9
349.20313	0.8
355.44037	0.7
367.14075	1.1
381.11926	5.0
453.13855	1.1
485.96582	0.6
503.21469	1.7
507.15048	0.6
525.16083	9.7
526.16547	1.2
529.19104	2.2
543.17126	2.0
547.20355	8.5
548.20581	1.4
571.20001	0.9
587.21045	0.6
589.19427	1.3
629.22174	0.7
661.24353	0.8
705.22638	100.0
706.22919	19.7
706.34650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60415	0.2
59.01378	100.0
60.01736	1.3
61.98827	0.5
70.22696	1.0
81.46709	0.2
237.84740	0.3
424.11423	0.2
437.12723	0.7
437.78088	0.2
438.13342	3.5
439.13846	0.8
451.14136	0.8
452.14911	1.5
453.15228	0.5
455.09891	0.4
465.11951	0.2
466.12198	0.3
467.13431	0.7
470.12329	0.7
479.13690	0.3
480.14099	1.0
481.15186	29.5
482.15479	8.5
495.16739	11.1
495.27563	0.3
496.17108	3.7
497.18420	5.1
498.18817	1.3
509.14429	0.3
510.15176	0.3
514.14832	2.4
515.14764	0.7
521.14252	0.3
523.16144	0.7
524.16016	0.4
525.14233	0.7
526.15009	0.3
528.16736	0.3
535.15869	0.4
539.15765	2.1
540.16437	6.9
541.16425	1.9
551.19318	0.4
553.16791	0.7
554.17957	2.5
555.18933	48.7
556.19171	13.8
567.19098	1.2
569.20337	0.2
572.15540	14.2
573.15759	4.6
577.17731	0.3
586.17065	5.3
587.17389	1.6
599.21973	0.3
600.18933	0.3
609.20245	1.5
626.20313	0.4
627.20886	1.3
628.20813	0.4
641.22656	24.1
642.22925	7.4
642.31506	0.2
658.18994	0.3
701.24860	62.0
702.25128	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98831	7.5
62.54098	0.9
69.79621	7.2
70.66563	0.8
121.02911	1.3
146.96629	1.6
347.19229	1.1
437.12296	1.2
438.13245	3.3
439.13873	1.1
440.61142	1.1
452.14554	1.4
481.15216	38.8
482.15558	11.8
495.16769	13.2
496.17145	3.9
497.18326	4.1
514.14722	2.8
525.14124	1.8
539.15692	1.3
540.16364	12.6
541.16583	2.4
544.48663	1.1
553.17108	1.8
554.18225	2.0
555.18915	65.2
556.19055	18.8
567.19006	3.5
569.20135	2.2
572.07434	2.0
572.15564	18.5
573.15570	5.2
586.17297	3.7
599.21503	1.3
609.19977	1.3
641.22668	33.1
642.22900	10.7
701.24841	76.5
702.25067	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64618	0.4
59.01384	1.6
63.96215	0.5
64.97021	0.6
70.78904	1.1
70.79264	0.7
71.01384	1.9
72.35887	0.4
74.99105	35.9
79.95747	11.1
80.96525	2.2
85.02969	1.5
89.02446	0.5
95.94769	0.9
95.95242	44.0
96.96022	77.7
110.91962	0.5
119.03542	0.9
138.97125	0.6
150.29129	0.5
166.03384	2.5
173.24004	0.5
195.03384	1.6
214.98425	0.6
226.03905	0.5
259.01154	2.2
274.98981	1.0
341.14584	0.5
408.04294	100.0
409.04553	11.8
410.04227	0.5
632.20734	0.5
672.05768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03456	2.2
58.00588	2.7
58.30951	1.3
59.01384	37.3
71.00985	3.1
71.01385	53.6
71.73397	1.6
72.99306	4.5
73.02953	12.1
80.05069	4.0
83.01397	5.6
85.02959	20.7
87.00882	10.3
88.04039	4.7
89.02453	29.6
92.05060	2.8
94.06631	16.2
95.01413	3.4
98.02457	1.9
99.00888	6.3
101.02456	31.6
104.05100	3.0
106.06645	11.6
110.02471	2.5
113.02474	22.5
115.00388	10.4
119.03521	10.3
119.05010	7.0
122.06143	5.1
124.07715	16.5
124.43094	1.3
125.02459	2.0
125.07190	2.2
127.05111	2.3
130.08728	1.8
131.03539	9.8
132.04576	66.3
133.01443	26.5
133.04849	2.1
134.03810	9.1
134.06140	6.3
135.04509	4.9
138.05600	3.2
143.03505	2.7
146.06142	2.0
149.02487	2.0
150.05626	33.7
151.06009	1.6
152.07172	2.3
159.03014	1.6
161.04576	14.9
162.05679	2.0
163.04024	15.7
164.04533	2.2
165.05545	2.3
168.06686	48.8
168.62123	1.5
173.06070	1.4
176.03484	3.2
179.03537	4.3
179.05585	7.9
180.06685	14.0
182.08192	3.7
185.10895	2.5
193.05093	12.4
194.05362	1.7
205.55638	1.4
211.12495	1.5
212.10840	2.5
221.06688	13.7
223.06148	2.1
223.08711	1.6
227.11687	1.8
237.10370	13.0
239.09612	2.7
239.11905	38.5
240.12158	3.3
255.11378	29.3
257.12961	2.0
265.09805	3.1
267.11389	17.0
268.11725	2.0
269.12909	33.9
270.13159	2.7
283.10904	12.8
285.12457	28.4
286.12701	2.5
287.14066	7.0
295.10812	11.9
311.10443	7.4
313.11951	61.9
314.12198	6.8
315.13522	7.5
327.13004	2.7
329.11429	9.2
330.11908	1.6
331.12997	31.2
332.13400	3.5
355.12958	8.8
356.08051	1.9
356.13043	1.9
373.14053	9.9
385.13846	2.0
397.14108	1.6
415.14935	5.1
433.16122	1.7
439.15527	1.7
457.16226	2.7
475.17184	10.1
476.17487	1.7
477.18695	3.0
487.17068	2.5
493.18335	6.6
517.18195	38.2
518.18292	8.3
535.19220	24.9
536.19458	2.0
537.19159	3.1
566.30579	1.6
637.22638	79.2
638.22754	18.3
655.23639	100.0
656.23956	21.1
681.21735	6.5
681.33453	1.8
682.31403	3.3
700.31940	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77781	0.4
59.01376	1.7
60.32581	0.3
60.50840	0.4
60.99303	1.5
65.00345	1.1
67.34565	0.4
71.01359	1.1
71.01696	1.0
74.02512	0.5
83.01368	0.5
85.79612	0.4
88.04066	1.3
88.98803	4.0
96.00926	0.5
99.80293	0.4
107.01411	1.6
108.02202	0.9
109.03029	1.0
121.02978	1.4
133.01472	1.7
134.03754	0.6
144.07870	0.5
148.01720	0.7
151.00401	8.4
152.00821	0.6
163.00420	1.5
168.91866	0.4
169.01511	1.0
169.21188	0.4
178.99889	4.7
183.04575	0.6
193.05087	0.8
211.04044	0.9
226.02715	0.8
227.03497	1.2
229.05052	0.5
243.02985	5.9
244.03467	0.7
245.04594	1.2
254.02258	1.7
255.02971	18.7
256.03470	1.2
271.02460	39.8
272.03006	4.1
273.04053	0.6
283.02737	0.9
299.01984	0.5
300.02765	81.1
301.03464	36.2
302.03815	2.2
343.04590	0.6
381.25607	0.4
471.79382	0.5
528.73975	0.4
609.14752	100.0
610.15076	19.3
681.35895	1.2
699.36786	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	698.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96639	0.4
53.43484	0.4
55.01894	0.7
56.15767	0.5
57.03445	0.6
58.00593	0.8
58.02961	0.5
59.01380	17.6
60.01714	0.9
61.98834	10.1
62.11812	0.4
66.03477	0.7
66.19986	0.4
67.01878	0.4
69.03440	0.4
70.92316	0.7
70.92676	0.8
71.00982	0.8
71.01384	14.5
72.01716	1.3
72.99301	1.2
73.02953	4.9
73.04076	6.3
78.95907	0.7
80.05045	0.6
82.02975	1.0
82.06615	1.3
83.01392	2.1
83.02504	1.0
83.57136	0.4
84.04568	2.6
85.02956	5.2
86.00075	0.5
86.03316	0.8
87.00874	2.8
88.98846	0.6
89.02448	7.6
94.54043	0.4
95.01376	0.6
96.96013	1.0
97.06583	0.4
99.00892	1.3
100.38106	0.4
101.02460	8.9
102.02782	1.4
102.05621	20.9
103.05996	0.5
104.05045	0.5
106.06652	4.2
107.06966	1.0
108.04567	0.9
108.08212	5.7
109.08527	1.2
112.05164	1.2
112.07668	1.3
112.98705	0.4
113.02451	4.9
113.03567	2.8
114.02763	0.5
115.00369	3.3
115.08803	4.0
116.92773	0.4
119.03530	2.1
119.05040	0.9
120.01273	0.6
121.03008	0.4
122.06152	0.6
128.03560	50.3
129.01978	0.6
129.03885	1.5
129.10356	8.4
130.06245	6.7
130.08755	11.6
131.03514	2.4
132.03795	0.5
132.04584	5.8
133.01447	2.2
133.04924	2.0
134.06149	0.8
135.04460	0.7
137.07205	1.5
138.05574	0.5
139.08765	1.9
140.07198	2.8
141.06648	0.5
141.10385	0.6
143.03502	1.5
143.11920	0.6
144.04578	0.5
145.05305	0.8
146.04617	16.3
146.05835	0.8
149.04512	0.9
150.05630	0.8
151.04024	0.8
152.07205	5.5
153.07500	1.9
154.09886	3.0
154.12373	0.8
155.08246	1.5
155.11932	1.1
158.02496	0.6
159.03035	0.6
160.04024	0.7
161.04623	4.2
162.04892	0.9
164.07187	1.1
164.09521	0.5
166.08800	0.5
168.11418	1.4
169.09773	0.5
171.15056	3.0
172.10860	0.8
174.01726	0.7
175.02507	2.4
176.03581	0.6
177.03911	0.5
179.05563	1.5
181.13559	0.7
181.32489	0.4
182.15552	0.5
183.15140	0.6
188.03456	0.7
189.04245	1.5
190.05016	2.2
191.05434	1.2
193.13463	6.6
195.14966	1.0
197.12912	1.4
197.16592	2.5
199.18185	1.6
207.15016	1.4
208.13458	1.0
210.16103	4.3
211.12018	11.7
211.14243	0.9
212.10378	1.1
215.13910	2.3
221.06699	2.6
222.06961	0.6
224.17659	0.7
225.16032	3.7
228.17183	6.3
229.13034	5.3
241.11908	0.8
242.18782	1.5
243.12308	1.6
243.17108	2.1
251.11922	1.0
252.12201	0.5
253.13411	1.8
254.13838	1.7
267.18112	1.6
268.20483	0.8
273.12372	0.7
274.12668	0.7
279.11371	3.7
280.11655	4.2
284.23383	1.3
285.19348	1.6
294.25626	0.5
295.10968	2.3
296.11227	2.2
297.12488	3.7
298.12833	3.6
300.02518	0.6
312.26508	1.4
315.13187	0.4
316.13593	0.5
323.10391	4.7
323.24377	0.6
324.10690	5.4
324.20361	3.6
325.10974	0.6
328.22427	2.5
337.11984	1.3
338.12177	1.8
341.11310	1.5
342.11707	1.1
342.21436	7.2
356.13174	0.9
375.27527	1.0
393.32819	0.5
398.27621	0.5
411.33557	1.5
441.30615	1.0
456.28070	0.6
466.16162	0.6
519.19958	0.8
536.31738	0.5
537.32690	0.8
540.37903	0.5
546.17798	1.2
560.20441	0.5
569.36774	16.7
569.45789	0.9
570.37036	2.7
598.23480	1.2
622.23456	5.4
623.23846	0.8
654.42145	0.7
665.22156	1.2
666.22406	35.3
667.22754	5.8
668.43213	0.7
680.24109	3.9
681.24487	0.6
698.26666	3.2
698.41132	100.0
699.41467	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.2
59.11740	0.3
61.98835	0.6
70.48858	1.7
71.01385	18.8
72.99292	0.7
74.02514	0.5
85.02956	0.6
87.00890	0.8
89.02453	0.8
89.03987	1.1
96.35690	0.4
96.96019	0.7
101.02443	0.5
111.00923	0.4
115.00394	13.5
117.03490	4.7
119.05038	2.7
122.31152	0.3
133.01453	26.9
134.03758	48.1
135.04611	5.3
137.02475	1.2
138.78609	0.3
145.58118	0.3
149.06113	6.5
150.03250	0.6
162.86719	0.3
163.04028	4.3
164.04723	0.7
174.90887	0.4
175.02530	0.7
178.02744	4.5
179.03503	5.1
179.07130	0.5
180.04028	0.4
193.05070	100.0
194.03699	0.5
194.05409	5.5
223.06206	0.4
249.47319	0.4
295.04456	1.1
309.06158	4.4
310.06601	0.4
407.77063	0.4
417.23932	0.4
465.13376	0.4
508.49738	0.4
523.07532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	0.9
59.01379	5.6
66.03500	1.0
70.02963	0.8
71.01385	13.5
71.73466	0.9
72.99297	1.2
73.04091	1.0
82.03007	2.4
85.02957	2.7
87.00873	1.1
88.04054	100.0
89.02460	2.7
89.04385	2.1
94.06628	2.0
95.01364	0.9
96.00920	3.3
96.96024	1.0
98.02495	4.2
99.00843	1.2
101.02440	3.9
106.06664	1.1
109.04086	2.8
110.02503	1.4
113.02452	2.3
113.03598	12.1
113.07233	4.1
114.05640	1.0
115.00386	10.1
115.08772	2.7
116.00767	0.8
116.07199	1.9
119.03510	0.9
119.05017	3.7
120.04530	1.0
122.09737	1.5
124.04061	0.9
124.07684	1.6
125.07265	1.0
126.04402	1.1
126.05627	2.1
127.05161	23.3
128.03587	5.0
132.04584	5.1
133.01453	21.6
134.01772	0.8
134.03749	10.7
134.06148	1.0
135.04459	5.0
136.04935	1.5
137.07172	0.7
138.05612	3.2
141.06749	4.2
141.10324	0.9
143.11919	10.9
144.12242	1.0
147.81912	0.7
149.02460	1.6
149.06155	1.6
150.05635	3.4
151.08788	6.4
151.12418	1.0
152.04906	0.9
152.07152	1.2
153.03082	1.0
153.06674	2.3
153.10315	1.5
155.08302	1.1
163.04013	6.4
164.04738	1.1
166.08682	1.0
167.11887	6.2
168.06665	4.7
168.11403	2.7
169.09836	2.8
177.05585	1.0
177.10370	1.8
178.02614	0.8
179.03554	4.5
180.03990	1.3
180.07791	3.0
181.06209	4.9
186.12421	2.6
187.10884	3.2
193.05070	21.5
194.05429	6.6
195.11388	9.2
196.11008	0.8
198.08832	2.2
212.14073	2.1
213.08763	0.9
221.06660	1.1
223.06148	2.8
224.06383	0.9
236.13992	1.9
237.10191	1.2
239.11879	3.4
240.17220	15.2
250.19139	1.5
255.11293	2.7
267.11417	1.9
268.16705	1.5
269.12970	2.5
270.14865	1.0
276.17264	1.1
279.05029	1.4
279.14618	12.4
280.12802	1.1
283.10904	1.6
284.16187	25.6
285.12399	1.3
285.16458	2.1
295.04501	1.0
297.15659	10.2
298.13892	1.3
309.06256	1.0
312.08752	0.8
313.11938	5.5
315.13284	0.9
329.11404	1.8
331.13055	2.9
356.07880	1.0
373.14169	1.0
383.23163	1.1
432.26074	4.0
454.26801	1.3
475.17572	1.4
476.25009	2.9
517.18195	4.2
535.18854	1.8
537.19556	7.4
565.29999	51.5
566.29626	11.6
581.77960	1.0
583.30835	3.3
591.28186	1.6
600.65240	0.9
637.22662	9.4
645.28918	7.9
646.29224	1.1
655.23810	9.9
663.29980	22.4
664.30255	4.3
680.32837	58.2
681.22260	1.6
681.32928	14.0
698.33856	24.5
699.23486	1.5
699.35504	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	697.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03444	1.9
57.30177	0.5
58.00590	1.5
59.01380	40.6
59.89548	0.5
61.98825	3.4
62.14309	0.4
65.06835	0.5
69.03444	0.7
71.01387	43.1
71.73517	0.9
72.99316	2.1
73.02948	12.1
74.03275	0.5
75.00888	0.9
83.01405	4.4
85.02959	14.6
86.00109	1.5
87.00880	10.0
87.01412	0.5
88.98782	0.5
89.02454	26.3
95.01389	3.1
96.00932	1.8
96.08211	1.6
97.01704	4.1
97.02962	1.3
98.06157	0.7
99.00891	3.5
100.04089	0.7
101.02454	30.8
106.06627	0.8
108.04551	0.8
109.01689	0.8
109.05343	1.0
109.38875	0.5
110.06152	1.1
111.04430	0.5
113.02468	18.3
115.00362	0.7
118.06639	1.6
119.03511	7.5
120.08210	1.0
122.06161	0.7
122.87280	0.5
124.07698	33.2
125.02447	1.9
125.08067	0.8
131.03526	10.6
133.01421	0.8
134.06131	2.7
135.44897	0.4
136.04041	0.7
136.07622	0.5
138.05629	1.6
138.09265	0.7
143.03526	3.5
147.86157	0.4
149.04601	1.0
150.05643	1.4
155.03528	0.7
159.03011	2.6
161.04582	13.8
162.05663	6.9
163.06425	6.0
164.07176	0.5
166.05037	0.6
168.06569	0.5
175.02495	0.7
178.05112	6.6
179.05641	11.3
180.06070	0.5
194.04634	1.6
195.55989	0.4
200.14478	2.7
203.05627	0.7
221.06674	13.0
222.07059	0.8
242.53767	0.5
243.15027	13.1
244.15363	1.0
263.07709	4.5
281.75003	0.5
287.14011	100.0
288.14340	8.6
301.15622	1.6
305.08780	0.7
323.09882	0.6
329.15070	13.8
330.15509	2.0
389.17200	6.8
390.17300	0.9
431.18082	1.8
432.18454	0.7
449.19278	12.1
450.19553	1.6
459.29669	1.2
491.20325	85.3
492.20724	11.0
533.21332	0.8
593.23798	1.2
611.24359	3.2
612.25885	0.6
635.24646	0.9
653.25684	45.2
654.26166	9.2
697.35425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03431	1.4
58.00597	1.2
59.01380	24.8
61.98837	5.0
67.70506	0.5
68.99818	1.6
71.01387	27.5
71.28604	1.2
72.99313	1.8
73.02951	6.3
73.04071	0.5
83.01405	3.1
84.04517	0.6
85.02964	10.2
86.00106	1.7
87.00880	7.9
89.02449	15.3
95.01413	2.4
97.02927	0.6
99.00899	2.4
101.02457	18.6
102.05624	4.1
103.60670	0.6
104.05069	1.4
104.43320	0.5
106.06643	13.3
108.04551	2.7
108.08207	18.3
109.08532	0.8
111.00863	0.7
113.02462	13.7
115.00411	3.3
115.08775	0.8
119.03516	4.2
119.05029	2.2
120.01218	0.6
121.02957	0.9
125.02476	0.9
128.03551	8.2
129.10333	1.6
130.06242	1.4
130.08752	2.8
131.03525	6.9
132.04576	20.0
133.01457	3.9
133.04936	0.8
134.06122	1.5
135.03000	0.7
135.04521	1.0
138.85542	0.5
140.07207	0.5
143.03543	1.4
144.04559	1.8
145.05327	0.9
146.04596	2.9
146.06107	1.4
148.04076	1.2
149.04582	0.6
150.05644	1.9
152.05988	0.9
152.07193	18.2
158.02487	1.5
159.03076	1.9
160.04022	2.6
161.04594	10.2
163.04037	1.5
164.07198	2.2
166.08789	1.7
171.15021	0.8
174.01799	1.5
175.02512	1.4
176.03552	4.1
177.04214	0.8
179.05649	3.7
188.03584	1.8
189.04326	3.4
190.05118	7.4
193.13513	0.8
197.16628	0.7
210.16209	0.6
211.11993	2.0
221.03345	1.0
221.06676	7.5
224.10855	1.9
228.17177	0.7
229.13202	1.7
251.11888	4.2
252.10239	0.6
253.13441	11.9
254.13718	0.8
255.11389	0.8
263.07617	0.7
267.11383	1.1
273.12454	2.8
279.11383	20.6
280.11774	2.6
295.10889	12.4
296.11194	1.5
297.12457	19.6
298.12729	2.0
311.14017	1.3
315.13528	1.7
321.08789	1.0
323.10379	23.2
324.10770	2.5
324.20392	0.7
337.11923	5.8
338.12228	0.9
339.09940	1.2
339.13589	1.6
341.11505	6.3
342.12134	0.8
342.21405	1.2
355.13116	2.6
356.13412	0.9
373.14026	0.8
373.25922	0.7
383.12646	1.5
397.13907	1.0
401.14798	0.5
405.21216	1.3
411.33524	0.6
447.14209	0.8
454.57306	0.5
465.15652	2.8
477.18631	1.6
489.18378	0.6
501.18848	3.2
503.16861	0.8
545.17822	3.8
547.48236	0.6
559.19189	2.1
569.36926	2.4
581.16718	0.6
597.23071	4.7
621.23083	15.5
622.23389	2.3
647.20648	1.5
665.22107	100.0
666.22369	20.7
679.23694	10.4
680.23987	2.4
697.24634	11.8
697.35443	2.2
698.25421	2.9
698.41125	19.7
698.53436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14410	0.1
57.85904	0.1
62.12165	0.1
69.81651	1.0
71.01382	9.1
72.01725	0.2
72.99317	1.7
85.02961	0.2
87.00880	0.4
88.01147	0.1
89.02439	1.1
91.05556	0.2
91.68150	0.1
106.35114	0.2
107.05025	0.5
110.69682	0.1
115.00387	28.2
116.00721	0.5
125.60757	0.1
126.48718	0.2
133.01448	100.0
134.01778	2.6
134.03767	1.5
135.04538	23.3
136.04910	0.8
161.02460	0.2
177.01875	0.3
179.03508	27.8
180.03860	1.6
235.16571	0.1
252.93188	0.2
257.97711	0.2
289.09125	0.2
295.04581	7.3
296.05023	0.4
296.23163	0.1
299.49936	0.1
332.81744	0.2
388.99237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03443	3.5
58.00590	1.8
59.01382	73.2
61.98837	26.7
69.44176	12.5
71.01388	58.8
72.99301	5.8
73.02953	14.0
75.00870	1.5
76.91203	1.2
78.95925	1.4
83.01391	8.7
85.02958	21.9
86.00101	1.7
87.00890	14.4
88.98818	6.0
89.02453	29.6
94.69096	1.4
95.01408	4.3
96.00946	2.7
96.96020	5.2
97.01700	4.9
97.02951	3.2
99.00896	5.1
99.04503	1.6
101.02465	39.6
106.06651	3.5
108.08189	3.5
113.02467	27.5
115.00390	5.3
116.92876	1.4
119.03528	10.3
121.02942	1.6
122.06116	1.8
124.07701	24.1
125.02494	2.6
126.05626	1.4
131.03532	12.5
133.01443	3.9
134.06131	2.2
136.07693	1.7
138.09227	2.0
143.03487	5.0
144.08199	1.6
149.04582	1.5
152.07141	4.0
154.99927	2.2
155.03494	1.8
159.02998	1.8
161.04605	18.3
162.05637	5.6
163.06418	3.0
164.07176	6.9
174.01730	7.6
175.02507	6.7
178.05080	6.7
179.05632	11.3
200.14452	3.0
221.06714	13.6
243.15082	15.0
244.15361	2.3
263.07712	4.5
263.27991	1.6
283.10449	1.4
287.14026	100.0
288.14331	10.3
301.15500	1.8
311.13901	1.6
329.15073	15.1
330.15344	2.5
341.10721	1.5
353.17511	2.4
371.16269	1.9
373.13925	1.6
389.17044	6.6
431.18652	2.1
449.19403	12.3
450.19717	1.9
491.20343	81.6
492.20618	11.9
503.31830	3.1
611.24023	2.0
629.34253	4.0
653.25452	54.4
654.25775	11.2
682.20752	2.1
697.24042	2.2
697.35077	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	695.258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01377	1.0
61.98832	0.7
65.55390	0.2
69.81802	2.0
71.01388	15.8
72.99313	0.3
73.32209	0.2
74.02490	0.4
74.04946	0.3
85.02955	1.3
89.02454	0.7
89.03976	0.8
93.01394	0.2
106.04242	0.3
115.00388	10.3
117.03476	4.7
118.03874	0.3
119.05048	4.5
123.36526	0.3
127.23801	0.2
128.03545	0.3
129.01978	0.6
133.01453	13.0
133.42691	0.2
134.03758	54.5
135.04037	2.4
137.02487	0.9
149.06108	5.3
150.03265	0.3
163.04034	9.7
163.05405	0.5
164.04404	0.6
178.02733	4.3
179.03304	0.3
183.50945	0.2
191.02025	0.5
193.05074	100.0
194.05392	5.0
202.72963	0.2
205.03720	0.4
209.03012	0.5
223.04503	0.3
264.36014	0.2
265.48044	0.3
279.05179	0.5
283.02399	0.3
309.06171	5.4
310.06476	0.6
313.92999	0.3
387.10941	0.3
409.75681	0.3
415.96060	0.3
666.27655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98819	0.2
57.53190	0.2
58.59889	0.3
59.01368	0.8
61.98832	0.4
71.01388	15.3
72.99310	0.7
85.02956	0.4
89.02457	0.8
89.03973	1.1
89.52597	0.2
98.19871	0.6
100.84463	0.2
102.10098	0.2
106.12604	0.2
115.00394	13.8
116.40173	0.2
117.03481	3.9
119.05099	0.5
121.02982	0.4
133.01454	28.4
134.03758	57.0
135.04076	2.2
137.02432	0.9
149.02483	1.2
149.06102	5.6
150.67444	0.2
163.04005	0.4
164.04843	1.1
175.02444	0.3
178.02734	3.6
179.05418	0.2
191.02078	0.2
193.05077	100.0
194.05409	5.9
223.06129	4.2
251.73036	0.2
267.53531	0.3
309.06158	7.3
310.06418	0.6
322.95041	0.3
323.05640	0.3
353.10480	0.5
443.28845	0.2
695.23022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72610	0.2
59.01380	1.1
61.98828	0.4
64.14647	0.2
71.01389	16.7
71.73032	0.3
72.01737	0.2
72.99300	0.6
75.00928	0.2
83.48624	0.2
83.77626	0.2
85.02965	0.6
85.54556	0.2
87.00871	0.3
89.02470	0.8
89.03990	0.8
101.02464	0.3
106.04295	0.2
113.02442	0.2
115.00388	15.8
115.91151	0.2
116.00738	0.4
117.03484	4.4
117.04265	0.4
119.05035	0.3
121.02975	0.8
131.48247	0.2
133.01453	29.2
134.03760	58.7
135.04060	2.7
137.02466	0.9
139.04080	0.2
149.02478	3.6
149.06111	5.5
150.02922	0.2
150.06470	0.3
163.04036	0.6
164.04836	3.0
178.02721	3.6
179.03410	0.3
179.07237	0.3
191.02036	0.3
193.05077	100.0
194.05409	6.0
206.82245	0.2
208.03772	0.5
223.06126	8.6
224.06506	0.6
231.86319	0.2
309.06155	6.8
310.06534	0.5
315.67313	0.2
353.10272	0.5
387.10812	0.4
450.47110	0.2
556.86725	0.2
651.24115	0.2
695.22583	0.3
696.23187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03450	3.1
58.00596	0.6
59.01382	18.2
71.01385	24.0
71.73641	0.5
72.99310	3.8
73.02956	0.8
75.00890	0.6
83.01405	2.1
83.05043	1.4
85.02960	17.7
86.03320	0.5
87.00885	0.9
89.02457	10.9
91.72328	0.4
93.07107	1.0
95.01392	0.8
101.02457	7.3
102.57102	0.4
104.89401	0.4
105.03455	0.8
107.05025	0.6
111.00893	4.8
111.02578	0.5
113.02460	2.7
115.00388	29.3
116.00709	0.9
117.31348	0.4
119.03520	2.9
119.05013	0.7
129.01965	7.5
131.03575	0.8
133.01451	100.0
133.02882	6.1
133.10243	0.9
134.01802	2.2
134.03749	3.6
134.26077	0.5
135.04546	23.4
136.04898	0.7
143.03503	0.7
145.06610	1.5
147.02934	0.6
157.10097	0.6
159.08208	0.9
160.08946	15.1
161.04581	1.1
161.09326	0.7
163.03986	0.6
173.09676	2.5
175.11302	28.2
176.11646	2.2
177.01935	5.2
178.02477	0.5
179.03517	22.3
180.03867	1.8
187.02454	0.5
191.02170	0.5
193.05058	1.6
205.03529	9.4
209.03011	1.0
219.10266	25.5
220.10582	2.4
223.04601	18.0
224.04947	0.6
267.64627	0.5
295.01843	0.6
295.04645	5.5
296.04901	0.4
317.68335	0.5
399.09375	2.4
399.16599	64.2
400.16974	8.3
695.30750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05543	0.6
55.01873	2.6
57.03447	17.8
59.01376	8.9
67.01888	1.0
71.01385	21.7
71.73307	0.7
72.99311	3.5
73.02948	2.0
74.02470	0.7
75.00876	1.6
83.01386	10.7
84.02182	2.9
85.02957	100.0
86.03280	1.7
87.00873	3.0
89.02448	6.1
93.03414	0.6
95.05071	0.8
96.96037	0.6
99.00906	1.4
101.02445	8.0
103.04008	0.8
105.03500	1.4
111.00894	29.3
112.01313	0.7
113.02465	1.5
115.00385	27.1
115.60125	0.6
116.92853	0.7
119.03545	0.6
119.05037	4.6
121.92189	0.6
127.05151	0.9
129.01959	47.4
130.02280	1.3
133.01451	66.5
133.02930	8.4
134.01788	1.9
134.03775	11.7
135.04544	16.1
136.04834	1.1
143.03525	0.8
145.06622	0.9
147.02997	0.7
149.06151	0.8
160.01724	0.8
160.08966	4.4
161.04558	4.6
163.04001	6.6
164.04465	0.7
173.09685	0.9
175.02556	7.3
175.04015	1.3
175.11299	8.7
177.01942	7.1
178.02649	1.3
179.03532	11.8
179.05267	0.9
179.05577	0.7
183.93956	0.6
187.02544	4.0
191.01970	1.0
193.05067	9.4
194.05397	1.0
195.40248	0.6
205.03543	56.8
206.03856	2.2
209.03081	0.9
219.10284	6.6
223.04588	32.9
224.04959	1.6
255.96822	0.6
281.29895	0.7
295.04596	3.2
304.05981	0.8
315.71774	0.7
373.09326	0.7
381.08514	0.9
399.09326	31.5
399.16605	20.7
400.09488	2.7
400.16989	1.3
724.28387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43137	0.9
52.92440	0.9
58.62438	0.8
59.01375	2.7
61.38962	0.8
61.98833	29.2
69.56939	8.5
71.01397	1.3
74.63963	0.9
80.33829	0.9
82.02988	1.4
82.06646	1.1
85.02977	1.3
94.03011	1.0
94.06633	2.2
101.02422	1.8
106.06657	2.6
108.04585	4.4
108.08191	1.4
108.92247	1.0
110.06141	1.9
112.07649	1.1
115.00416	1.7
121.05368	3.3
122.06144	12.6
125.00243	0.9
133.76819	1.0
134.06137	18.9
135.06892	4.2
136.07721	5.9
138.05650	3.1
139.06441	1.3
140.07196	24.3
141.07536	1.4
144.04611	1.2
146.06152	3.7
149.04839	6.9
150.05661	5.5
152.07196	3.3
157.68242	1.1
160.04085	2.2
161.04846	6.3
162.05647	15.0
163.06284	1.5
164.03592	5.5
164.07167	13.5
166.05147	5.8
167.05917	4.1
172.04024	2.6
174.05614	3.5
175.02499	1.7
176.07130	1.2
178.05167	1.0
179.03448	1.5
187.08748	2.1
190.05116	2.9
192.36198	1.1
196.06180	1.4
204.06709	10.4
209.08618	1.3
210.07869	1.1
211.08736	2.8
212.05931	9.3
213.10400	2.1
223.08788	1.6
224.09485	2.6
225.06783	5.0
225.10342	3.1
226.07478	1.3
227.08276	2.4
227.11897	3.3
229.09940	1.3
229.13368	1.3
230.11786	1.7
237.06561	1.6
237.10339	9.5
237.75888	1.1
238.07533	3.8
238.10938	1.6
239.08197	13.2
239.11885	2.7
240.09003	5.9
241.09789	3.2
243.11330	6.2
245.12894	1.2
251.08212	4.7
251.11949	3.5
252.06207	1.4
252.09018	5.7
252.12538	7.1
253.06180	18.9
253.09848	19.7
253.13292	3.0
254.06349	1.5
254.10249	1.9
255.11412	6.1
259.10764	1.5
261.12387	6.4
262.07376	2.1
263.08307	1.2
264.08926	1.8
265.06152	5.2
265.09415	1.9
266.06924	9.5
267.07742	21.9
267.11359	13.7
268.08566	10.7
268.11963	10.1
269.08994	2.0
269.12900	2.3
270.09921	1.8
271.10883	3.2
273.12448	10.7
274.12802	1.3
277.09851	2.9
278.10587	2.0
279.07767	9.3
279.11279	3.4
280.08548	28.8
281.09290	37.1
282.09943	5.3
283.10925	3.0
284.08121	2.0
284.13126	1.7
285.08841	3.4
285.12433	3.5
293.09357	2.2
295.10886	100.0
296.11569	39.4
297.12408	22.7
298.09680	2.1
298.12823	2.9
299.10330	5.9
300.10965	3.5
301.11929	7.2
303.13516	41.5
304.13809	3.1
311.10504	3.2
313.12039	7.8
314.12500	1.1
319.12979	1.2
321.14526	4.3
327.13483	24.5
328.10550	3.1
328.14099	3.2
339.09882	23.9
340.10471	7.0
341.11346	6.8
343.13022	1.1
348.13760	1.1
371.08182	2.0
371.12518	28.2
372.13062	6.0
373.14041	7.0
390.14429	3.3
401.16180	1.6
404.16037	4.3
406.14130	2.2
407.14594	2.0
420.15570	3.5
434.13113	2.3
435.18130	1.7
438.16544	1.7
466.16092	1.8
479.16861	4.3
480.17722	1.8
510.18961	1.2
511.19547	7.5
512.20184	2.4
557.24207	5.4
581.25098	1.0
599.24951	18.9
600.25671	3.5
601.23077	29.0
601.32770	1.4
602.23584	5.3
617.26166	8.0
618.26813	2.0
625.23218	2.1
633.25873	23.8
634.26294	5.1
643.24200	72.3
644.24597	15.3
661.25220	54.3
662.25671	13.1
675.26941	62.4
676.27289	14.5
693.27777	29.1
694.28387	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	691.533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74192	0.1
59.01378	1.9
61.70778	0.1
61.98830	0.3
71.47302	0.2
71.47671	0.3
72.44103	0.2
78.95889	0.6
86.08978	0.2
87.61951	0.2
95.48595	0.2
126.18307	0.2
139.84955	0.2
152.99590	0.5
161.73697	0.2
229.34702	0.2
259.20810	0.3
274.35178	0.2
277.21719	49.7
278.22083	5.0
413.30627	100.0
414.30966	17.0
442.82031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53022	0.9
59.01376	4.5
59.26056	0.7
61.98827	12.8
65.52261	0.8
71.01389	1.8
89.02440	1.8
96.96021	13.7
98.95593	8.9
98.96465	1.3
99.92586	2.0
106.06618	3.1
107.06982	1.3
108.04570	1.4
111.00840	1.4
115.00401	1.2
120.04507	1.0
121.05355	1.6
122.06111	4.8
134.06119	6.3
135.04517	1.3
136.07686	1.7
138.05632	1.6
140.07147	5.4
144.04485	1.9
146.06148	1.3
149.04764	2.4
150.05603	2.8
151.06003	0.8
152.07228	0.9
160.04080	2.1
161.04845	4.3
162.05580	3.6
164.03606	2.0
164.07147	4.5
166.05090	1.1
167.05739	0.8
172.04076	1.6
174.05606	2.5
190.05083	1.4
194.04630	0.8
195.68872	1.0
203.14151	0.9
204.06705	6.4
211.08743	1.6
212.05952	10.2
213.10381	1.6
225.06680	2.1
225.10207	1.5
227.11983	2.2
230.36900	1.1
237.10320	8.7
238.11028	1.1
239.08237	6.6
239.11914	1.1
240.08940	3.7
241.09750	1.5
243.11356	2.9
251.08141	1.2
251.11913	1.4
252.08769	1.0
252.10262	2.2
252.12576	7.4
253.06232	11.2
253.09825	11.1
253.13213	2.1
254.06827	1.2
254.10184	1.4
255.02992	1.6
255.11316	4.7
256.03372	0.9
257.09195	1.6
261.12469	1.2
265.06296	1.1
266.06982	3.5
267.07712	15.4
267.11295	6.1
268.08429	9.0
268.12079	9.0
271.10779	2.7
273.12396	4.2
279.07773	3.9
279.11398	2.6
280.08572	13.7
280.11526	1.6
281.09308	24.9
282.09622	2.0
283.10699	2.4
284.03244	1.7
285.03769	1.8
285.08737	4.9
285.11703	0.9
295.10880	31.4
296.11636	23.2
297.09225	1.4
297.12424	12.4
298.09604	1.7
299.10413	8.8
300.10989	2.5
301.11969	2.8
303.13483	8.2
311.10315	1.7
313.11868	5.1
323.10272	1.4
327.13391	7.7
328.13855	1.6
329.14587	1.0
339.09833	7.2
340.10526	5.4
341.11230	4.6
343.12897	1.3
351.12119	1.6
357.10150	1.9
371.12344	6.4
372.13168	3.4
373.14059	11.4
374.14536	1.3
390.14655	4.0
394.17670	1.8
404.16187	2.7
406.14093	2.4
407.14523	2.9
420.15555	2.7
434.13525	3.0
436.18689	1.4
438.16638	2.2
439.17047	1.1
448.14883	1.3
452.18323	1.4
466.16083	3.4
479.16760	1.2
480.17529	2.6
496.17279	1.1
511.19598	17.4
512.20386	4.6
519.86133	0.8
595.15979	2.0
619.93500	0.9
633.25739	26.5
634.25720	5.5
643.24023	7.0
644.24329	1.6
647.27264	1.3
657.25299	1.0
661.25354	1.8
675.26953	100.0
676.27222	26.0
693.08154	2.6
693.27875	38.9
694.28156	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	689.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.86434	0.3
73.42098	0.2
79.60778	0.2
80.99439	0.2
108.92383	0.2
145.93062	0.2
172.44096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
61.98512	0.6
61.98833	10.3
71.42308	0.6
73.02943	1.0
80.96541	0.3
83.70101	0.3
86.65218	0.3
88.98809	1.2
89.06252	0.3
89.46682	0.3
93.57439	0.3
136.44356	0.3
183.05766	0.3
189.42319	0.3
313.40433	0.3
427.84116	0.4
437.12509	0.6
438.13013	0.5
439.13718	0.5
451.13840	0.6
452.14902	1.8
453.15219	0.6
465.16034	0.4
466.16858	0.4
467.16940	0.3
480.13855	0.3
481.14838	4.7
482.15143	1.4
484.14838	0.7
493.15012	1.2
494.15897	0.7
495.16769	10.5
496.17078	3.1
497.16251	0.5
498.16629	1.0
507.16733	0.9
508.18024	1.5
509.18234	1.0
521.14282	0.4
522.14893	0.5
523.19635	0.9
526.14868	0.7
533.18097	0.7
535.16388	0.8
536.16809	2.2
537.16986	0.5
539.15875	0.4
540.16650	1.5
541.17053	0.6
543.16473	0.3
551.19318	29.5
552.19592	9.4
553.17889	0.9
554.19397	3.0
555.18866	1.2
567.18768	0.4
568.15485	0.5
572.15338	2.5
573.15924	0.8
578.27301	0.4
586.16876	2.4
587.17352	0.5
595.18488	3.0
596.18964	1.0
600.18628	0.4
627.21100	100.0
628.21411	33.8
629.21014	0.8
630.21405	7.2
631.21716	1.0
690.23242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15885	0.5
57.03442	0.6
59.01378	18.5
60.99305	2.1
61.98827	6.7
63.96266	0.5
64.91917	0.5
68.09616	0.6
70.39407	2.2
71.01386	6.9
72.99312	0.6
73.02954	2.8
78.95904	1.2
79.00565	0.5
80.05074	0.6
81.03442	0.5
83.01384	1.9
83.05023	0.7
85.02943	2.2
87.00883	1.5
88.98807	1.8
89.02450	2.5
95.01406	1.4
96.96035	0.8
96.96980	0.6
97.06580	0.7
101.02453	3.7
106.06631	0.7
108.02176	2.9
108.04575	0.6
109.02975	1.5
109.06738	0.6
111.04527	0.6
113.02474	2.7
115.00385	2.4
116.92810	0.8
117.03490	1.1
119.03490	1.3
119.05025	0.7
120.01273	0.7
121.02954	1.5
122.03781	1.4
122.06119	0.9
123.04545	1.1
128.03471	0.7
133.01465	1.0
134.03758	23.2
134.99948	0.9
135.04549	22.9
136.01680	48.9
136.07640	0.7
137.02043	1.7
145.06308	0.6
149.06100	7.3
150.06625	0.7
151.04025	100.0
152.04356	3.9
154.99852	0.9
157.01424	0.7
159.04504	1.6
161.04700	0.7
161.06108	0.7
170.11900	1.3
171.08130	0.6
173.06049	0.6
174.01694	1.1
174.05627	0.6
175.02440	2.2
179.05621	0.7
179.14343	1.1
187.07675	2.8
193.05087	9.0
195.13806	0.7
199.07736	0.6
201.09155	0.6
228.10207	1.0
229.11078	0.9
234.15054	1.0
234.18663	1.5
235.17039	1.4
236.16557	10.7
236.18707	0.4
237.14864	5.0
238.18117	18.0
239.18520	1.4
242.11929	1.0
243.13876	2.3
250.18202	0.7
252.19675	20.8
253.20032	2.7
255.11360	1.6
256.19141	9.3
257.15320	0.6
257.19464	0.7
263.16504	1.2
267.11325	1.1
278.17648	6.4
285.14944	2.6
296.18619	8.9
299.16449	0.6
313.17966	0.7
317.17603	1.3
331.18964	0.6
354.20728	10.4
355.20981	1.8
372.21860	5.1
373.22198	0.8
376.28049	0.7
386.23407	6.9
387.23749	1.4
404.24652	0.6
418.33313	0.8
475.35513	1.4
491.38309	3.2
502.35532	0.8
517.37054	0.8
519.38037	1.6
520.38385	0.7
535.37500	45.0
536.37848	6.9
567.22504	1.0
611.21881	1.9
625.42346	21.3
626.42511	5.4
643.24384	1.8
655.20691	1.6
687.23108	1.8
687.42413	41.7
688.25195	1.3
688.43024	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	687.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
61.98833	100.0
62.98536	0.2
65.55029	0.1
70.26234	0.4
79.40952	0.1
112.52412	0.1
139.18539	0.1
181.76060	0.1
250.90298	0.1
361.26959	0.1
444.59610	0.1
460.87506	0.1
603.79791	0.1
653.76678	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64329	1.1
55.01881	2.2
57.03440	2.8
58.00582	4.7
59.01379	100.0
60.01718	1.3
61.98832	15.6
69.03448	1.8
69.69364	1.4
71.01386	76.3
71.05030	1.7
71.74029	2.2
72.99297	6.8
73.02954	13.2
78.95928	1.2
80.05062	1.9
83.01405	6.6
85.02956	16.5
86.02467	1.0
87.00879	6.5
89.02454	64.2
90.02776	1.2
95.01382	7.0
96.95977	1.6
97.02984	1.4
99.00876	2.1
100.06904	1.0
101.02457	39.3
104.05088	2.0
106.06629	2.7
108.04566	2.9
113.02463	36.9
116.92862	1.8
117.64182	1.0
119.03522	25.5
122.06152	1.9
123.04629	1.2
123.08177	1.7
124.07698	1.8
125.02473	2.4
131.03523	4.2
132.04524	2.4
134.06142	2.2
136.07703	3.5
142.99904	1.1
143.03532	8.1
143.10800	1.2
148.04097	2.0
149.04565	4.4
149.06047	1.6
149.09717	1.1
151.07639	3.6
160.03973	2.1
161.04593	12.3
161.07217	4.2
167.07159	3.9
167.14444	1.3
175.02545	2.5
179.05634	20.6
188.07190	1.9
190.05151	1.3
206.04436	1.2
211.08640	1.3
221.06607	2.0
221.33865	1.1
223.08678	1.6
224.09604	1.8
225.10313	5.1
229.14696	1.2
236.16589	2.3
237.10284	1.4
239.11919	2.5
240.08931	1.2
241.09779	1.6
248.16562	2.2
249.10307	1.7
250.07442	2.5
251.08205	3.2
253.09840	1.4
255.11359	3.3
257.12915	5.8
265.09827	2.5
267.11417	6.5
271.10825	3.5
272.11099	4.1
273.12302	5.3
283.10873	1.6
293.09265	3.6
295.10901	1.5
301.12018	1.5
311.10312	5.2
325.11948	1.2
345.47861	1.3
355.09186	3.4
436.18719	3.7
440.24881	1.2
440.30112	6.6
452.18121	3.6
453.18082	1.9
483.22766	1.5
549.20703	1.4
567.22308	6.5
568.22913	1.7
583.31189	20.9
584.31964	3.6
593.20258	2.8
601.23120	0.8
601.32294	24.7
602.32678	7.6
611.21497	14.2
612.22089	2.8
627.24463	5.2
627.37329	2.6
628.24866	2.5
637.19250	1.7
643.23578	3.7
643.33643	9.3
644.33661	1.8
655.20172	10.1
656.20782	3.3
659.35883	2.7
687.22925	11.6
687.40668	9.8
688.23645	2.2
688.40460	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	687.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03460	1.7
58.00599	3.5
59.01381	100.0
60.01718	1.4
61.98832	15.6
69.03458	1.0
70.01939	1.5
70.02366	2.1
71.01389	70.6
72.01741	0.8
72.99309	4.9
73.02953	11.5
75.00896	1.1
78.95892	0.8
80.05062	12.8
80.88172	0.6
83.01399	5.5
85.02961	13.7
86.03342	0.7
87.00883	5.2
88.98837	0.9
89.02456	69.4
90.02802	1.7
95.01390	5.3
96.96042	0.9
96.96981	0.9
97.02967	0.8
99.00887	1.2
101.02460	38.6
104.05089	2.4
106.06646	4.9
107.03536	0.6
108.04590	2.6
108.08211	0.7
113.02469	37.5
114.02785	1.3
115.00415	1.9
115.92151	0.8
116.92893	0.8
119.03523	28.2
120.01273	0.7
120.03881	0.9
122.06153	1.5
125.02512	1.6
130.06674	1.0
131.03508	5.2
132.04613	1.1
133.01469	0.8
134.03767	1.3
134.06161	1.5
135.04581	2.2
136.01680	2.8
136.04117	0.8
136.07736	2.5
143.03540	9.6
148.04095	2.3
148.07703	3.7
149.04573	6.3
151.04022	6.6
151.07660	0.9
152.07214	2.7
154.99913	1.5
158.02496	0.8
158.08495	0.6
160.04053	1.4
160.07724	2.4
161.04587	14.6
161.07135	0.8
174.05608	1.7
175.02507	2.2
179.05638	21.9
200.10945	1.0
202.12280	0.7
203.05759	0.8
210.07967	1.2
221.06671	2.4
223.08661	0.9
224.09552	2.9
225.10355	7.1
227.08295	0.8
229.13530	1.2
236.16615	0.7
237.06697	0.6
238.18204	0.9
239.08311	1.4
239.11967	2.6
243.11458	2.4
249.10385	1.8
250.07425	0.7
251.08282	5.0
252.08708	1.1
252.19771	1.4
255.11490	1.9
257.13181	0.9
265.09845	2.7
267.11374	11.6
268.11783	1.2
269.09521	0.8
273.12399	8.3
274.12775	0.6
293.09351	2.6
296.18860	0.8
297.12189	0.6
311.10330	4.1
312.10736	0.8
316.57794	0.7
325.20032	0.8
354.20847	1.1
355.09366	1.0
374.85706	0.6
386.24042	0.6
406.17926	0.9
408.18866	0.6
452.18307	10.2
453.18781	1.4
499.24207	1.9
535.37482	3.1
549.21509	0.9
567.22430	5.7
568.22736	1.1
582.19470	0.7
583.31689	1.9
593.20844	2.3
601.32385	5.0
602.32965	0.7
611.21631	17.6
612.21930	4.0
625.42566	1.8
643.23425	3.6
643.33252	3.1
644.23950	0.8
655.20618	17.4
656.20587	4.3
687.23364	20.6
687.42249	4.3
688.23657	5.7
688.35516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45411	0.6
59.01250	11.5
59.01590	4.8
61.98698	4.5
61.99057	1.9
63.94334	0.6
65.13126	0.6
69.49329	0.7
71.01243	5.4
71.01689	1.7
71.02303	1.8
73.02802	2.2
78.95801	0.8
80.04913	56.6
80.05440	12.6
80.05707	2.0
81.05282	1.6
83.04910	0.9
85.02818	2.0
85.03283	0.7
87.00768	0.9
89.02299	2.4
101.02282	3.2
104.04889	8.8
104.05647	1.1
105.45269	0.6
106.06453	17.9
106.07229	2.3
107.06852	0.8
108.04379	6.7
108.08047	1.4
110.05956	1.3
113.02265	2.8
115.00196	2.1
115.00972	1.2
116.04869	0.8
116.18187	0.6
116.92714	0.9
118.06505	1.3
119.03376	1.2
122.05930	6.2
123.03082	0.8
124.03858	2.4
124.04687	0.8
124.07490	0.9
130.06425	4.1
132.04359	9.1
133.05078	0.8
134.03531	4.3
134.05891	5.0
134.99864	0.8
135.04306	4.3
136.01450	11.6
136.02602	1.1
136.03929	1.3
136.07474	12.4
136.08617	1.1
138.05389	2.5
140.06964	0.7
143.03317	0.8
144.04503	0.7
145.05199	1.5
146.05916	2.9
148.03828	11.6
148.07466	16.7
148.08740	1.2
149.04225	0.8
149.05913	1.6
149.07834	1.1
150.05376	2.0
151.03793	26.1
151.05083	1.8
152.06953	8.5
154.99620	1.1
158.02295	1.8
158.05923	1.9
160.03819	8.1
160.07455	13.6
160.08867	0.9
161.04469	3.8
161.07184	6.8
174.05357	11.6
175.02362	1.2
178.05093	3.9
180.06592	0.8
182.08284	1.2
186.05492	1.2
187.06154	2.0
189.06685	5.0
190.04799	2.0
193.04819	2.2
195.09032	0.9
197.06995	1.5
197.10663	1.6
198.07643	2.0
199.08524	1.0
199.12495	3.0
200.09065	1.2
200.10605	4.1
202.12212	1.5
203.08037	0.7
208.09898	0.8
210.07936	4.3
211.08484	2.7
212.10805	0.9
213.10109	2.0
214.07111	2.0
214.10768	1.0
215.11633	1.4
221.10579	1.5
223.06517	0.8
223.08740	5.3
223.12128	2.9
224.09563	11.2
225.06636	1.1
225.10323	22.9
226.07265	1.2
226.10379	2.5
227.07935	2.0
227.11830	4.6
229.13403	9.0
230.11580	1.4
230.13640	1.5
234.07893	3.7
235.08473	1.3
236.16588	3.3
237.06375	1.7
237.10323	4.3
237.14742	1.1
238.10721	0.9
238.18141	3.5
239.08289	5.8
239.11893	13.0
240.08595	0.9
240.12122	0.8
241.09537	1.8
242.10318	0.8
243.11386	13.4
244.11394	0.9
247.08432	0.7
248.09303	1.3
249.10365	9.6
250.07170	5.3
250.10324	1.4
251.08258	19.6
252.08823	3.5
252.19630	5.0
253.09465	2.0
254.10344	1.3
255.11386	10.6
256.18875	2.6
257.08875	1.0
257.12650	1.4
259.10760	5.0
263.08020	0.8
265.09805	11.9
266.10141	2.2
267.11377	56.2
268.08780	0.6
268.11603	5.6
269.09018	2.0
271.10596	1.3
273.12454	30.4
274.12457	2.2
278.17325	1.9
283.10626	1.3
293.09299	14.5
294.09421	1.9
294.12485	0.9
296.18384	1.8
297.12305	1.4
299.10056	1.6
311.10367	18.3
312.10294	1.8
312.14383	0.8
317.11371	3.0
337.07941	1.0
341.11292	1.6
346.15268	1.1
354.20465	2.7
355.09390	3.8
372.21652	2.0
386.23050	1.4
406.17560	2.4
408.19049	2.6
414.14767	0.8
418.17572	1.4
422.16980	1.4
434.16879	1.2
452.18262	45.0
453.18564	6.7
460.18732	1.6
491.38293	0.9
499.23657	5.3
500.23856	1.1
505.22098	1.3
507.20374	1.0
523.22607	1.0
525.21295	2.8
535.37476	11.9
536.19952	1.0
543.22369	1.0
549.21295	2.7
565.20892	1.9
567.13867	1.1
567.22540	23.7
568.22858	4.8
583.32703	0.9
593.20392	8.3
594.20892	1.1
601.32336	1.4
611.21649	83.4
612.21893	18.7
625.42126	5.4
643.24207	20.2
643.34192	1.1
644.23944	4.3
655.20569	85.3
656.20911	21.1
669.22205	1.8
687.23346	100.0
687.41321	14.1
688.23621	25.3
688.42358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54280	0.7
51.71015	0.9
57.03445	1.3
58.00583	1.4
59.01379	43.8
60.13741	0.8
60.18838	1.0
61.98830	10.4
71.01385	20.2
71.01761	1.3
71.74220	1.5
72.99324	2.0
73.02946	5.6
75.00880	1.1
78.95921	1.9
80.05063	6.8
83.01392	2.4
83.81137	0.7
85.02937	5.8
87.00891	2.9
87.04552	0.8
88.98826	1.7
89.02460	10.7
95.01386	1.5
96.96011	1.5
99.00888	1.1
101.02457	12.7
102.02815	0.8
104.05093	1.0
106.06636	12.9
108.04565	15.7
108.08160	1.0
110.09756	0.8
111.04530	2.1
113.02471	10.2
115.00380	2.3
116.92844	1.4
119.03491	4.1
120.04563	1.7
120.08133	0.8
122.06142	2.1
123.04564	1.1
123.08173	1.8
124.07716	9.4
125.02467	1.2
126.03284	1.2
132.04590	3.7
134.03851	1.0
134.06146	3.0
135.04549	1.0
135.06403	0.8
136.01730	1.6
136.04247	0.8
136.05376	4.7
136.07693	29.0
138.05609	1.7
139.07669	2.2
139.64128	0.8
143.03531	1.9
147.03279	1.4
148.04073	2.0
149.06081	2.6
150.05627	2.7
151.04010	3.3
151.07686	16.0
152.04796	1.4
154.99863	1.3
161.04579	3.3
161.38733	0.8
166.05098	1.5
167.07141	10.3
168.06670	1.7
174.01926	2.2
175.02524	2.7
176.03593	3.8
178.05092	1.1
179.05608	3.2
183.05669	1.3
190.05118	2.7
194.04601	2.7
196.06349	1.2
197.07173	2.2
197.10893	2.6
198.07924	3.4
199.08846	1.2
209.10786	1.6
210.07967	2.2
211.08781	23.6
212.09421	4.4
213.13889	0.9
214.08792	0.9
221.10858	2.2
222.07935	1.3
223.08798	3.2
224.09518	3.9
225.10381	5.2
226.07455	12.0
226.10907	1.9
227.08165	2.5
227.11888	6.2
229.11172	1.1
234.04082	2.5
235.08803	4.8
236.09081	1.1
237.06555	1.0
237.10339	11.8
238.03656	1.3
239.08301	2.8
239.11871	5.1
240.08911	1.2
241.09868	5.0
242.10544	1.8
243.11263	1.0
247.08745	1.7
250.07471	10.1
250.09825	1.3
251.07986	2.5
253.06218	1.9
253.09758	5.8
254.06963	6.8
255.07323	1.6
255.08763	0.9
255.11395	9.3
256.09787	1.9
256.12192	1.8
257.12958	67.5
258.13293	8.1
259.10818	1.8
261.06677	1.0
263.08142	1.6
265.09802	28.2
265.12640	1.5
266.10178	2.9
267.07721	6.6
267.11255	1.4
268.08401	1.7
270.10190	1.0
271.10876	3.1
272.23212	0.9
281.09351	4.5
282.09979	1.1
283.10864	40.7
284.11255	4.2
293.09320	1.5
299.10291	1.5
301.11813	2.4
306.07758	1.0
309.08725	3.9
315.09857	1.1
327.09882	2.2
341.11591	1.0
353.08005	0.9
380.15894	2.2
390.18433	1.8
392.15945	1.9
403.11349	2.0
408.19214	5.0
428.16025	1.0
434.17386	1.1
436.18771	10.9
437.19363	1.4
452.18271	45.2
453.18637	7.3
511.23822	1.2
515.31818	1.0
549.20984	6.4
550.21655	1.0
555.21918	1.4
567.22491	12.9
568.22662	3.3
581.24164	2.0
583.22449	1.6
583.30902	7.5
584.31531	1.7
593.20715	5.2
594.20526	1.2
599.21619	3.0
601.32306	7.6
611.21576	30.1
612.21857	7.6
625.23077	3.5
627.37573	4.3
637.19446	4.6
643.24170	10.3
643.33636	1.5
644.24194	1.8
645.38605	2.2
655.20483	24.8
656.20715	5.8
669.21674	2.3
669.38245	1.2
687.23236	100.0
687.39716	27.4
688.23492	27.5
688.40240	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	686.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.47255	0.3
61.98835	49.3
65.00341	0.4
67.81308	0.4
70.03036	0.3
71.01394	1.6
73.02981	0.4
83.01408	0.7
85.02950	0.8
87.00890	0.6
89.02491	0.6
96.96040	0.6
98.19829	0.8
101.02459	0.4
107.01432	1.1
113.02478	0.6
115.00394	0.8
125.02450	0.6
127.05115	0.4
133.01477	1.0
135.04559	0.4
151.00397	2.6
163.00374	1.1
175.02434	0.6
183.04524	0.5
193.05045	0.6
199.04013	1.7
203.03629	0.7
204.04227	0.4
215.03542	1.3
227.03508	3.1
228.04048	0.4
242.02214	1.8
243.02983	17.4
244.03473	2.1
254.02414	0.5
255.00452	0.7
255.03006	10.9
256.03403	1.5
257.04456	2.4
259.06082	0.7
270.01688	2.4
271.02475	27.7
272.02972	3.9
285.04102	4.4
286.04807	1.9
287.05573	2.1
299.01999	26.9
299.04575	0.4
299.05551	0.5
300.02753	28.5
301.03113	2.4
313.03458	0.5
314.04343	34.6
315.05090	70.4
316.05460	7.2
357.06250	0.6
623.16290	100.0
624.16663	17.3
685.36011	1.0
686.37836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03432	1.2
59.01383	35.8
61.98834	46.1
71.01387	10.1
71.74147	1.5
72.99325	1.0
73.02954	4.9
75.00887	1.4
78.95900	1.7
80.05081	4.6
83.01399	1.8
85.02965	4.0
87.00880	2.0
89.02441	5.1
93.58333	1.1
96.96016	1.9
99.00925	1.7
100.65818	1.0
101.02470	6.5
104.05042	2.8
106.03053	1.2
106.06651	5.4
108.04572	14.7
109.00690	1.0
113.02467	5.0
115.00407	2.5
116.92879	1.3
119.03513	2.8
123.04527	1.3
127.05190	2.3
129.10323	1.3
132.04604	3.4
133.01465	1.3
136.05319	2.4
136.07703	18.4
139.73970	1.1
140.07185	1.9
143.03557	1.4
147.03255	1.4
148.04103	3.6
150.55542	1.0
151.07642	4.7
154.99803	1.2
160.04077	4.3
160.07680	2.9
161.04654	2.2
162.05609	10.3
167.07149	2.6
174.05615	3.3
175.02538	3.2
183.15042	1.3
197.10934	1.3
199.08781	1.3
199.12370	1.2
210.07909	2.7
211.14554	3.3
222.12547	7.4
223.08861	2.2
224.09607	2.1
225.10320	9.6
227.08313	3.5
235.08540	1.6
237.10225	2.0
239.08134	1.1
239.11891	2.6
240.13660	7.4
242.06819	1.0
243.11382	3.2
249.10339	3.2
250.07558	2.0
251.08263	8.4
253.09784	7.6
255.07666	1.3
256.08423	2.3
257.13153	1.6
265.09836	5.8
267.11417	12.2
269.09229	2.1
270.10147	2.3
271.10873	100.0
272.11221	9.3
293.09375	10.7
294.02158	1.2
295.10944	2.7
299.10318	1.3
301.11719	1.3
309.08990	1.3
311.10364	8.0
315.10031	1.6
339.09821	3.1
340.10123	1.5
355.09390	1.7
357.58340	1.1
432.15863	1.3
450.16721	30.7
451.17068	4.7
467.28632	7.9
497.22244	2.1
505.18903	1.4
524.31128	1.2
531.34351	1.5
547.19891	1.7
548.19141	1.0
565.21100	16.2
566.21069	2.5
571.33966	2.3
591.18671	5.6
609.20056	32.2
610.20062	6.3
625.36725	3.1
635.17926	4.1
636.18573	1.8
641.22668	25.0
641.35162	10.1
642.23352	6.0
642.35541	1.1
643.38062	2.9
649.37292	1.5
653.19061	32.2
654.18909	6.3
667.20740	3.6
667.36658	2.4
685.21777	56.9
685.38043	25.1
686.21967	12.6
686.32941	1.2
686.38654	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	683.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80035	0.3
53.63256	0.3
59.01373	3.5
60.99307	18.8
61.98822	0.5
69.57253	0.3
71.01388	1.3
72.66153	0.3
73.02954	0.9
83.01360	0.4
85.02972	0.5
88.98814	100.0
89.02452	0.4
89.99143	1.2
98.17827	0.4
98.19756	0.7
101.02444	1.8
113.02444	0.6
115.00433	0.6
121.25023	0.3
122.06147	0.4
133.01447	0.4
143.05066	0.4
149.04636	0.4
151.00449	0.9
151.04060	0.4
154.81451	0.4
161.02522	0.5
163.00436	0.9
177.01921	1.7
179.03505	0.8
185.06139	0.6
187.03938	0.8
192.04305	1.3
194.05841	0.8
207.06631	2.4
207.46437	0.4
209.08162	1.4
211.03998	0.6
213.05602	0.5
227.03505	8.5
228.03952	0.8
229.05040	3.4
229.88481	0.4
239.03380	0.7
240.04382	0.4
241.04977	0.8
255.02986	15.3
256.03464	1.7
257.04514	1.7
284.03259	24.4
285.04025	31.8
286.04388	3.0
593.15149	61.9
594.15436	11.5
605.05353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40835	0.4
54.18383	0.4
54.83535	0.4
55.01867	1.1
57.03444	1.5
58.00594	4.2
59.01379	100.0
60.01717	1.2
71.01385	69.9
71.73672	0.7
72.01740	1.2
72.99310	4.8
73.02954	1.9
74.99104	0.5
83.01383	2.8
85.02954	9.9
87.00885	5.6
89.02453	94.1
90.02762	1.1
91.81323	0.4
95.01408	4.3
101.02457	39.6
102.02794	0.6
107.03480	0.5
108.02177	1.4
109.02976	2.0
113.02462	26.6
114.02780	0.7
115.00385	4.1
119.03520	37.8
119.04884	5.1
120.03842	0.8
121.02961	2.4
122.03662	0.9
123.04546	1.4
125.02452	0.8
131.03528	5.2
133.01445	10.5
134.03766	0.9
135.04510	0.5
136.05235	0.6
143.03511	10.6
149.02621	0.4
149.04559	4.0
150.03197	0.5
151.30902	0.4
158.03732	0.7
159.04530	2.2
160.05313	6.7
161.04590	14.0
161.06018	1.7
163.04037	10.9
164.04379	0.6
172.05310	3.4
173.06073	2.7
174.06958	0.5
175.04060	0.6
175.07660	4.0
179.05626	48.8
180.05980	1.9
187.07668	1.5
189.05560	5.6
190.06366	7.3
193.05052	2.1
202.14732	0.4
205.08725	6.6
206.08983	1.1
208.05487	0.4
223.04604	0.6
252.20464	0.4
260.82471	0.4
279.05222	0.7
281.08179	1.5
283.10794	1.0
295.09735	1.1
296.10507	3.5
308.10590	0.5
310.08441	0.9
311.12842	6.6
312.13046	1.0
323.12762	0.5
326.11700	1.1
327.09805	0.9
329.13895	2.1
341.13977	19.7
342.14249	2.3
371.08670	0.8
403.11542	1.5
521.20258	86.0
522.20636	14.1
532.07263	0.5
683.38605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01381	1.2
66.84351	0.3
69.66215	2.2
69.66630	0.6
71.01383	18.5
72.99315	1.7
75.00877	0.5
85.02957	4.2
87.00887	0.4
89.02446	1.8
96.96034	0.6
100.74598	0.4
101.02464	0.6
111.00922	0.4
113.02430	0.5
115.00385	31.6
116.00753	0.5
119.05038	44.7
120.05380	2.2
121.02966	0.4
129.01962	1.0
133.01445	100.0
134.01759	2.5
134.03792	1.0
134.64996	0.3
135.04550	2.3
135.13077	0.3
147.03008	0.4
151.03931	0.4
161.06094	0.4
163.04021	80.8
164.04359	3.9
179.03508	2.7
191.01985	1.9
193.05061	1.3
193.73413	0.3
205.03522	1.0
209.03062	2.1
223.04549	1.9
223.06393	0.4
279.05106	10.3
280.05551	0.8
285.11441	0.5
295.04498	0.6
312.70029	0.3
373.09235	0.4
385.07721	0.5
450.01370	0.4
681.29962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20660	0.3
51.39115	0.3
57.03445	0.5
59.01384	2.1
61.44933	0.3
71.01386	16.6
71.72419	0.7
72.99322	1.3
81.30975	0.3
85.02959	1.8
87.00893	0.5
89.02452	1.8
93.03490	0.7
101.02468	0.5
104.43787	0.4
111.00907	0.4
113.02498	1.0
115.00391	20.6
116.00736	0.5
119.05042	43.9
120.05377	2.1
120.94807	0.4
128.03569	0.5
129.01970	0.7
130.93927	0.4
133.01453	53.3
134.01804	1.5
134.03752	1.5
135.04588	2.1
137.02409	0.4
149.02449	1.0
149.06104	0.4
163.04030	100.0
164.04378	6.0
179.03520	1.5
191.01945	0.6
193.05078	3.0
209.02997	0.6
223.06233	1.8
279.05096	7.2
280.05322	0.5
309.07349	0.3
339.12347	0.5
349.73978	0.4
401.14529	0.4
410.50012	0.4
565.11621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78006	0.2
55.01880	0.9
57.03452	4.3
57.35901	0.2
59.01371	1.6
63.90711	0.2
66.74575	0.2
70.74300	0.7
71.01391	4.5
72.99322	1.0
73.02947	0.7
75.00884	1.1
75.17646	0.3
83.01391	3.3
84.02174	0.7
85.02960	29.6
86.03320	0.7
87.00896	0.8
101.02453	4.1
103.00405	0.4
103.04008	0.6
111.00898	15.2
115.00394	6.9
116.00726	0.3
129.01956	8.6
130.02289	0.5
133.01451	19.5
133.03014	0.5
134.01762	0.6
134.03789	0.4
135.04549	4.4
143.03525	0.5
147.03026	2.4
161.04562	1.0
177.01958	0.3
179.03514	4.4
181.34344	0.3
187.02486	1.2
191.02007	3.1
205.03552	18.4
206.03937	0.5
209.03043	0.8
210.03613	0.3
223.04599	100.0
224.04959	4.7
252.42435	0.3
267.66705	0.3
295.04645	1.5
300.44662	0.3
367.06671	0.5
385.07773	8.0
386.07971	0.6
430.36176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28125	0.7
55.01872	1.3
57.03449	6.0
59.01383	8.3
71.01389	31.9
71.72987	1.2
72.01715	1.2
72.99310	2.7
73.02936	1.1
75.00877	1.2
78.79242	0.7
83.01390	4.0
84.02158	0.8
85.02960	38.0
87.00906	1.0
88.98801	0.7
89.02441	4.0
89.93280	0.8
96.96022	1.0
99.00894	0.8
101.02444	4.2
105.03553	0.8
111.00896	9.2
113.02462	1.1
114.39316	0.7
115.00391	35.0
116.00733	2.6
117.03449	4.2
119.05037	14.4
120.05456	0.7
127.05185	1.5
129.01956	19.3
132.17432	0.7
133.01451	93.9
133.03047	2.7
134.01817	7.0
134.03757	54.3
135.04587	12.5
136.04871	2.7
137.02470	1.5
149.02466	1.0
149.06110	6.3
159.12263	0.7
160.08920	3.6
161.04593	2.1
163.04033	20.1
163.05391	1.3
164.04462	1.6
166.51649	0.7
167.03508	0.8
173.09727	0.8
175.02457	1.0
175.11287	8.0
177.01894	2.7
178.02684	5.9
179.03505	10.9
180.03853	3.3
187.02502	1.1
191.02110	1.2
193.05077	100.0
194.05457	5.6
205.03555	22.7
206.03868	0.9
219.10255	5.9
223.04533	15.1
232.11700	0.8
245.37308	0.7
279.05121	2.6
280.07617	0.8
295.04556	1.7
296.05002	0.9
309.06253	6.9
349.72025	0.8
357.09665	6.4
378.81799	0.7
383.19559	1.3
399.09344	9.6
399.16629	19.1
400.09756	1.1
400.17032	2.0
563.13953	1.5
568.26501	0.9
679.28748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.6
61.97353	0.8
61.98568	0.8
61.98834	9.2
62.17837	0.8
62.90534	1.1
64.29928	0.9
71.01374	6.6
72.99294	1.1
73.02935	2.4
75.00877	1.6
78.95890	1.4
80.05059	4.2
82.02969	2.8
83.01392	2.6
85.02972	2.5
85.07404	0.9
87.00870	2.1
88.98800	1.9
89.02437	3.0
94.02995	41.3
94.06628	6.1
95.03291	1.1
96.04554	3.3
96.96011	2.7
98.19733	1.8
99.00871	1.1
101.02445	4.3
105.05853	3.0
106.06614	3.9
107.03769	7.2
108.04549	2.0
110.06102	2.4
111.00858	2.8
111.50854	1.0
113.02457	2.0
115.00354	2.9
116.92880	1.5
119.03500	1.8
120.01265	1.3
120.04542	1.8
120.07395	1.5
120.08207	29.0
121.08524	1.4
122.06142	44.4
123.06432	1.8
124.07672	4.7
127.03960	1.3
132.04573	4.9
133.01433	1.8
134.06129	11.7
136.03996	1.7
137.04799	1.7
138.05623	19.5
139.02739	3.5
141.05606	1.1
148.03998	1.6
149.04700	1.3
150.05598	9.3
152.07193	99.7
153.07510	3.6
154.99792	1.2
156.09775	1.1
158.02402	1.1
160.04073	2.0
161.04633	3.6
162.05612	2.7
164.07138	3.0
166.04967	1.1
169.05188	1.1
174.01685	2.1
174.05566	2.1
175.02422	4.2
179.05606	1.0
190.05070	6.0
211.08826	1.4
211.12453	1.5
215.11896	1.7
221.10786	1.3
223.08778	7.4
224.09425	4.4
225.10184	4.7
230.56349	1.7
235.08540	1.4
235.12149	2.1
236.09389	2.8
237.10342	9.0
238.10922	4.8
239.11850	8.9
241.09825	1.2
245.12970	5.6
249.06609	1.9
249.10286	1.9
251.08159	3.9
251.11804	7.9
252.12561	2.7
253.06000	1.3
253.09740	2.2
253.13403	2.4
255.11292	2.3
257.12851	1.7
260.41287	1.0
261.10068	1.1
262.07367	1.3
263.08084	5.7
263.11737	1.3
264.09009	11.8
265.09683	7.1
265.13068	1.8
266.10272	1.8
267.07938	2.3
267.11258	3.1
268.08688	1.3
271.10800	2.8
276.09094	2.1
277.09805	6.0
278.10501	6.3
279.11374	38.2
280.08835	1.0
280.11823	5.8
281.09201	3.0
281.12469	1.7
283.10776	5.9
285.12299	1.9
287.13971	4.2
291.11340	12.6
292.11890	2.5
293.09393	1.6
293.12714	2.0
295.10898	7.9
296.08319	1.1
296.11502	2.5
297.12405	2.6
305.09195	1.8
311.10168	1.4
311.13809	1.4
313.11823	3.1
323.10449	9.8
323.13864	1.3
324.10928	3.8
325.11823	3.9
334.15500	2.2
339.09714	1.7
342.12347	1.1
355.12930	3.3
376.16412	4.1
388.16565	3.1
389.17477	1.4
402.18329	10.3
403.18787	2.9
404.19730	2.2
416.15305	1.5
416.20151	2.0
417.20724	1.7
430.17349	1.3
434.17386	1.0
443.18417	1.2
444.19333	9.9
445.19717	3.0
448.18549	6.3
449.19025	1.8
459.22256	1.9
460.18433	2.2
461.19315	4.4
462.20074	3.9
470.16794	1.6
471.17853	2.8
488.18256	20.6
489.18826	15.6
490.19299	1.5
520.20844	52.1
521.21057	8.8
541.24475	7.5
542.24615	1.6
583.25592	10.2
585.23566	24.9
586.24261	5.8
599.25482	1.5
601.26849	4.9
617.26288	34.3
618.26245	5.7
627.24725	38.7
628.25177	8.4
645.25745	100.0
646.26031	19.4
659.27362	27.0
660.27649	6.4
677.28156	41.0
677.38757	2.0
678.28662	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	677.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28203	0.5
51.48414	0.5
55.01864	1.4
57.03448	2.5
58.00585	0.9
59.01377	39.1
59.63213	0.4
61.98835	1.4
69.03410	0.4
69.83710	2.2
69.84126	0.9
71.01387	36.6
72.01712	0.6
72.99308	1.8
73.02956	8.0
75.00866	1.1
81.03461	7.7
83.01385	3.0
83.05035	17.8
85.02956	10.8
86.00101	1.3
87.00392	0.8
87.00886	11.8
89.02454	26.5
90.02798	0.6
95.01422	2.9
97.02959	0.9
97.06621	0.7
99.00909	2.6
101.02457	26.0
107.05052	3.9
108.04559	0.9
111.00877	0.6
113.02463	16.3
115.00377	1.0
119.03510	8.8
120.05817	1.5
122.06172	0.6
125.02453	1.4
125.07273	0.7
129.01973	0.7
131.03523	9.1
135.04515	1.5
143.03523	4.0
143.08421	0.5
149.04590	0.9
152.04660	0.7
157.06625	0.6
159.02998	1.7
159.08221	1.5
159.11803	1.0
161.04590	16.8
161.09746	7.2
161.13377	2.4
162.04868	0.5
163.11296	1.2
169.10300	0.5
175.02557	0.8
179.05634	28.5
180.05945	1.7
187.11304	11.7
188.11647	1.0
189.09248	4.1
205.12312	4.3
207.10281	1.8
207.15041	1.4
221.06671	26.4
222.07050	1.4
223.13383	5.9
224.13722	0.9
224.17668	2.6
225.16064	13.3
238.18040	1.0
242.18834	0.6
249.11320	15.9
250.11601	1.2
263.07697	14.0
264.08096	1.4
267.12344	11.9
268.12793	1.2
281.08939	0.8
309.21890	0.7
324.26767	0.8
324.32593	0.5
333.22812	0.5
341.29068	1.4
365.11176	0.7
367.27100	0.9
385.28159	0.6
429.17743	2.7
433.31754	1.2
450.34259	1.2
451.32877	6.7
471.18524	3.6
550.43079	1.0
591.23309	1.0
615.23358	1.9
633.24097	59.6
634.24420	12.6
659.48651	1.9
676.39185	0.7
677.49884	100.0
678.50305	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	677.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27226	1.1
50.76227	1.7
52.70261	1.3
55.01873	3.5
57.03444	6.4
58.00598	4.2
59.01381	100.0
61.98832	7.4
69.03460	1.7
71.01387	82.4
71.04840	1.2
71.05186	2.0
72.01731	2.1
72.99309	3.3
73.02957	19.2
83.01408	7.9
85.02959	24.7
86.00100	2.0
87.00893	25.4
89.02455	60.2
90.02765	1.3
95.01393	5.9
95.59106	1.4
97.02959	2.2
97.06589	4.1
99.00885	5.6
99.04513	1.4
99.92623	2.9
101.01797	2.8
101.02459	57.1
102.37835	1.2
102.67862	1.2
107.05048	9.1
111.00916	1.5
113.02464	40.1
113.06120	1.2
114.02788	2.0
115.00394	2.7
115.92081	2.6
116.92872	4.8
118.12407	1.2
119.03522	20.7
120.01243	1.2
120.05827	4.0
125.02455	3.1
129.01999	1.2
131.03528	22.0
133.01413	3.1
135.04536	5.1
143.03491	6.2
149.04584	1.9
154.99898	6.4
157.06627	1.7
159.03012	3.9
159.06943	1.3
159.08186	4.0
161.04581	34.3
161.09738	20.3
161.13342	3.2
162.04948	1.3
163.11183	1.4
169.10077	1.6
172.08899	1.1
173.00909	5.2
174.01772	1.6
175.02499	2.8
175.11287	1.4
179.05632	69.2
180.05983	2.5
187.11302	32.1
188.11668	3.2
189.09222	16.3
191.39752	1.1
198.93372	3.0
199.00993	1.2
203.05617	1.9
203.10831	2.0
205.12358	10.7
206.12671	1.4
207.10234	3.2
221.06671	61.5
222.06894	3.6
223.13379	11.8
236.16640	1.3
245.82613	1.4
249.11308	44.7
250.11607	5.4
254.17557	2.0
263.07690	36.9
264.08041	2.1
267.12399	24.1
268.12894	1.7
271.10858	1.3
281.08716	1.4
411.16605	1.4
429.17563	5.5
441.18710	1.5
471.17896	5.6
472.19125	1.2
615.23029	4.4
633.24097	97.8
634.24353	19.5
665.00836	1.3
677.36493	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	676.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77301	2.6
57.03442	6.1
57.11640	2.6
59.01383	47.2
59.78640	2.6
61.98828	56.2
69.73475	7.0
69.73897	15.0
71.01389	15.0
73.02953	5.4
78.95882	3.1
80.05045	6.5
85.02944	3.3
87.04522	9.6
88.98856	5.2
89.02464	6.4
90.84369	2.7
91.83574	2.6
93.68617	2.9
95.01376	3.1
96.96030	4.2
97.06568	2.6
101.02440	8.6
104.05025	4.7
105.08791	2.6
106.06660	21.6
107.06963	3.5
108.04576	14.0
108.08213	3.5
108.16524	2.8
113.02442	9.3
115.00448	5.8
122.06133	9.6
124.07690	7.9
125.06128	2.8
126.11880	2.9
127.04020	4.4
129.41139	2.8
130.08643	3.3
131.03534	12.3
132.04562	25.4
134.06145	15.5
136.07698	41.5
146.06195	6.1
148.04080	3.9
148.07741	3.7
150.05641	5.6
152.07242	4.3
160.04079	8.3
165.05505	2.9
172.07657	3.6
175.02486	3.7
176.03569	3.1
178.04994	5.8
184.07616	2.9
198.05600	5.6
199.09990	2.8
202.08578	3.9
212.07260	3.0
212.10736	6.3
214.08759	5.0
214.12338	12.4
225.10207	6.0
226.08804	3.6
239.11826	5.2
241.09795	4.1
242.11864	3.7
255.11356	3.3
257.12952	74.0
258.11060	4.4
258.13464	5.3
267.11191	3.3
268.09747	7.4
271.14423	5.5
279.11304	4.1
283.10965	3.1
285.12454	7.9
286.10999	6.1
297.12195	3.8
301.12033	3.7
306.10175	4.2
330.09869	5.0
346.09402	7.3
349.15793	4.6
365.18747	5.5
367.20218	3.1
393.99033	3.2
402.18225	6.0
409.17648	4.9
430.17706	13.4
436.18762	32.6
437.19226	6.8
451.18652	9.6
456.19409	15.9
462.20697	3.5
474.16510	13.9
492.17749	3.2
500.18231	41.5
501.18600	8.5
508.22678	4.4
526.23444	3.9
544.24371	11.3
569.24182	9.4
570.22308	8.9
588.23718	22.2
589.23749	4.4
596.19763	3.4
613.23145	100.0
614.21948	59.6
615.22192	9.1
632.22327	53.5
633.22455	12.0
644.23523	3.6
677.34186	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	675.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03453	1.4
57.17521	0.1
58.00595	2.3
59.01380	47.5
60.01705	0.4
61.38956	0.1
68.20190	0.1
68.99818	0.5
69.03463	2.0
71.01385	42.0
72.01723	0.6
72.99308	2.8
73.02950	7.2
75.00876	0.8
78.95924	0.1
81.03463	1.7
81.70818	0.2
82.19868	0.1
83.01394	7.2
83.05029	0.5
84.02180	0.1
85.02958	9.6
85.42568	0.2
86.00105	0.3
86.03327	0.2
87.00886	8.3
87.04509	0.3
88.01213	0.1
89.02453	32.5
90.02790	0.4
91.04024	0.8
93.03472	0.3
95.01398	3.7
95.05032	0.3
97.02962	5.4
99.00888	2.6
99.04536	0.6
101.02455	36.3
102.02794	0.7
103.00397	0.3
103.04015	0.5
109.02969	0.5
111.00911	0.7
111.04530	1.4
112.01649	0.3
113.02465	18.1
114.02799	0.4
115.04032	0.8
119.03515	8.8
120.03902	0.2
121.02966	0.5
123.00934	0.4
123.04561	0.3
124.01678	0.6
125.02465	12.4
126.02787	0.5
127.04028	0.7
127.07651	0.2
129.01982	0.4
131.03540	1.9
133.05101	1.6
137.02483	0.4
139.04031	0.9
141.01944	0.5
143.02383	0.3
143.03520	6.2
144.03954	0.1
145.05083	0.5
149.02472	0.4
149.04607	1.0
157.05060	0.2
161.04581	12.5
162.04971	0.3
163.04047	0.1
167.03481	0.7
169.05113	0.7
171.02994	0.2
179.05630	6.3
180.06055	0.1
181.05069	0.2
183.31645	0.2
185.04500	0.5
197.04570	0.1
199.06139	0.6
203.05621	0.4
205.19780	0.2
217.07143	0.9
219.05118	0.2
221.06648	2.1
233.22743	0.4
235.08221	15.6
236.08560	0.6
245.06631	0.8
253.09265	9.8
254.09734	0.4
259.20636	0.5
263.07712	1.5
275.19946	0.3
277.21707	100.0
278.22052	10.1
287.07748	3.1
291.23209	0.4
295.10327	0.2
305.08792	3.3
323.09836	1.6
361.11325	0.3
379.12604	1.1
397.13510	92.9
398.13828	7.7
398.19138	0.3
415.14566	36.4
416.14957	3.3
675.35919	0.6
677.70520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03453	1.2
57.25410	0.1
57.44690	0.1
58.00598	2.4
58.33598	0.1
59.01381	44.8
60.01712	0.5
61.98825	0.5
67.01899	0.1
68.99831	0.5
69.03455	2.5
71.01386	41.6
72.01723	0.7
72.99310	3.2
73.02953	6.7
75.00880	1.1
81.03468	1.9
83.00890	0.3
83.01398	6.1
83.05019	0.5
84.02186	0.2
85.02959	9.1
86.00112	0.5
86.03308	0.2
87.00885	9.3
87.04517	0.3
88.01194	0.2
89.02454	33.8
90.02792	0.5
91.04018	0.8
93.03481	0.5
95.01399	3.1
95.05066	0.3
97.02962	7.1
98.03300	0.1
98.19801	0.2
99.00892	2.6
99.04523	0.7
101.02456	36.5
102.02781	0.8
103.00399	0.4
103.04024	0.4
109.02956	0.5
111.00923	0.7
111.04527	1.2
112.01664	0.2
113.02466	16.7
114.02786	0.4
115.03997	0.9
119.03516	9.8
120.03764	0.2
121.03002	0.8
123.00912	0.3
123.04522	0.5
124.01688	0.4
125.02464	13.5
126.02833	0.3
127.04012	0.6
127.07626	0.2
129.01962	0.4
131.03528	2.1
133.05096	1.2
135.04460	0.2
137.02420	0.3
139.04039	1.3
141.01974	0.7
141.05638	0.2
143.03525	6.8
144.03815	0.3
149.02464	0.4
149.04579	0.9
151.03993	0.2
157.05103	0.3
159.02995	0.2
161.04579	9.9
162.04927	0.4
167.03508	0.8
169.05077	0.6
170.28514	0.1
171.03021	0.4
179.05629	6.7
181.04933	0.2
185.04576	0.7
199.06125	0.6
203.05600	0.5
216.29990	0.1
217.07152	1.2
219.05064	0.5
221.06641	2.7
227.05714	0.2
233.22725	0.4
235.08221	16.2
236.08588	0.7
245.06618	0.8
253.09273	6.0
254.09679	0.3
259.08383	0.2
259.20667	0.5
263.07645	1.5
275.20209	0.7
277.09555	1.0
277.21716	100.0
278.22058	11.3
287.07715	3.3
288.08087	0.2
291.23318	0.4
295.10651	0.1
305.08777	4.2
306.09030	0.2
319.22635	0.2
323.09790	2.1
361.11261	0.6
379.12527	1.2
397.13516	94.2
398.13846	8.4
415.14569	37.7
416.09320	0.2
416.14862	3.3
625.22534	0.4
675.36145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.81553	0.9
59.01088	1.3
59.01382	22.8
61.42843	0.8
61.98833	11.0
71.01377	8.7
71.01998	2.1
71.90096	0.8
73.02943	3.3
75.00861	1.1
78.95876	1.1
80.05071	8.0
83.01389	1.9
83.05018	1.2
85.02958	2.3
87.00883	2.5
88.04055	7.5
88.98819	1.5
89.02461	3.4
94.03002	2.9
94.06656	4.1
96.00947	6.2
96.96032	1.7
97.06602	1.4
98.02488	1.4
99.00885	1.5
99.92577	1.2
101.02464	3.4
103.88866	0.8
104.05087	2.9
106.06647	4.4
107.03762	2.8
108.04570	3.6
113.02471	3.1
115.00385	3.6
116.92871	2.6
120.04633	1.2
120.08191	1.8
121.05367	1.3
122.06142	27.0
124.04030	4.5
124.07693	2.1
127.04063	0.9
129.10361	2.7
130.06609	1.0
132.04556	2.7
133.01447	1.7
134.06146	6.8
135.04552	1.2
136.04018	4.5
137.02473	1.0
137.04837	1.4
138.05598	5.0
138.98019	0.8
139.02779	1.3
146.06100	2.6
147.03313	1.0
147.05681	3.4
148.04030	2.9
150.05643	11.5
152.07195	37.5
153.07544	2.2
160.04010	2.0
162.05559	2.0
163.06325	1.0
168.06674	2.5
174.01692	0.9
174.05624	3.0
175.02507	4.6
175.05157	3.2
179.05577	1.1
179.10777	1.1
190.05113	1.8
197.11067	1.1
201.10342	14.4
211.08704	2.1
211.12222	0.8
213.10324	6.4
214.10884	1.2
215.11780	1.5
223.08786	1.5
224.09550	1.2
225.10416	1.5
227.08307	1.2
227.11919	5.5
229.09840	19.5
229.13405	7.1
230.10060	1.3
236.16589	1.0
237.10289	2.9
239.11832	8.5
240.12283	1.0
241.09738	3.2
243.11343	2.0
245.12958	9.4
246.13210	1.0
247.10899	3.0
251.12042	1.0
253.09776	1.6
255.11456	6.8
257.13013	6.4
259.10986	1.0
263.08176	1.4
265.09827	2.3
267.11374	3.5
269.13013	1.1
273.09525	1.1
273.12445	6.7
281.09280	1.0
281.12973	1.6
283.10822	2.0
285.12366	1.2
289.11960	4.5
295.10870	3.1
297.12338	2.2
301.08609	0.9
301.11969	16.7
302.12326	1.5
309.12509	2.4
313.11963	5.9
319.12988	76.7
320.13416	8.2
323.10394	7.0
325.12085	1.4
327.13458	4.4
330.12509	1.3
339.09781	1.2
339.13531	1.5
344.14212	1.3
345.11197	1.3
348.16800	1.0
355.12985	5.0
356.13943	1.6
358.12085	1.5
359.12775	2.2
360.13354	1.3
362.15128	1.2
372.13519	1.6
374.15189	10.1
386.11163	1.4
386.15466	1.2
391.15421	3.0
392.16177	11.1
393.16324	2.2
400.17276	1.6
401.13464	0.9
403.15088	2.4
416.16269	5.6
418.14163	1.3
428.16046	1.2
434.17014	4.2
446.17471	1.3
512.36560	1.7
527.25006	4.4
531.25677	1.9
539.23279	3.3
557.24054	14.7
558.24377	3.7
571.25781	1.2
575.25049	1.9
581.24115	4.5
582.23865	1.0
583.21814	2.4
599.25140	73.8
600.25494	13.5
601.22888	1.2
602.23737	3.1
613.23602	2.4
625.22931	2.5
631.26941	1.1
632.32233	3.7
643.24200	100.0
644.24579	22.5
657.25653	2.2
657.36304	5.3
675.26917	40.5
675.37402	4.6
676.27393	10.2
676.37439	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	675.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
61.98830	7.3
65.10030	0.5
66.73020	0.4
70.59434	1.8
71.01376	3.7
80.05065	2.3
83.01392	0.6
83.05025	1.4
83.57610	0.5
85.02961	1.0
87.00868	1.4
89.02454	2.1
94.06628	2.3
96.96021	1.5
99.00893	0.7
101.02455	2.4
104.05128	0.7
106.06630	2.1
107.03783	0.9
108.04566	1.9
108.08209	17.6
109.08510	0.7
111.00947	0.7
113.02453	1.5
115.00367	0.8
116.92857	0.9
119.03519	0.9
120.01266	0.6
120.04565	1.7
121.05330	0.7
122.06132	11.4
123.06445	0.6
124.07693	1.6
127.04024	2.4
132.04588	7.8
133.01416	0.5
134.06137	6.1
135.04565	0.8
136.04141	0.6
136.07698	0.8
146.02567	0.7
146.06148	1.1
146.51688	0.5
147.03273	1.5
148.04092	1.7
149.04791	1.4
150.05627	20.6
151.05962	0.8
152.07182	1.7
158.02510	3.6
160.04080	7.5
161.04692	1.8
162.05685	4.1
165.05583	0.9
174.01878	1.1
174.05582	1.3
175.02577	1.3
176.03595	4.5
176.07150	3.1
179.05637	1.3
184.07710	0.9
190.05119	14.2
191.05630	1.1
192.06638	2.6
196.11407	0.7
198.04335	1.2
198.09338	0.7
199.08723	0.8
209.07190	0.6
211.08739	1.4
211.12447	1.9
212.05698	0.8
212.10805	1.3
213.06511	0.9
213.10336	1.1
215.11916	2.9
223.08786	2.0
224.09502	5.2
225.06517	1.4
225.10141	1.3
226.07492	1.6
227.08292	3.2
227.11848	1.3
229.13493	1.8
234.07732	0.8
237.10364	1.4
237.13654	0.5
238.08920	1.3
239.04588	0.5
239.08223	2.2
239.11897	19.0
240.10486	4.3
240.12366	0.8
241.09843	6.4
241.13422	1.5
243.15121	0.6
250.07474	0.8
251.04446	0.6
252.05478	0.9
253.06192	12.9
253.09647	2.7
253.13379	0.6
254.03369	1.0
254.06737	2.7
255.07698	2.9
255.11427	5.7
257.12927	1.2
263.08032	0.6
265.09720	2.9
266.07776	0.9
267.07727	6.5
267.11060	1.2
268.08527	9.6
269.09024	1.0
270.11124	0.7
271.14478	8.6
272.14963	0.6
281.09320	10.1
282.09665	1.1
283.10873	100.0
284.11188	9.4
285.08667	0.7
287.10419	1.0
294.06378	1.1
295.10840	0.8
296.11426	0.8
298.09940	0.5
299.10358	2.1
307.07300	0.9
309.08847	18.0
310.09109	1.9
311.10559	0.6
313.12170	1.0
315.13458	3.2
318.83456	0.6
327.09894	10.9
328.10284	1.0
341.11386	8.1
342.11792	0.8
359.12460	14.2
360.12784	1.5
372.12564	0.6
385.10193	1.2
389.73596	0.7
418.17929	2.1
430.17706	1.2
444.15674	0.7
474.16901	0.7
494.19864	0.6
513.28943	0.6
539.22882	1.5
547.31104	0.9
581.24286	5.9
582.23810	2.0
583.22034	4.1
584.22516	0.9
599.25104	2.1
615.24695	17.7
616.25024	2.8
625.23145	22.0
626.23578	4.3
643.24121	14.0
644.24847	3.8
649.09222	0.6
657.25757	68.6
658.26086	15.7
675.26862	58.5
676.27264	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	673.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21327	0.6
57.69176	0.8
59.01376	8.7
61.98833	5.7
66.67503	0.6
69.03453	0.7
69.20190	0.5
71.01399	2.8
71.02465	2.0
73.02966	1.4
73.77424	0.6
78.95904	0.6
80.05065	4.6
88.16414	0.7
94.06642	2.3
96.96023	0.9
101.02448	1.7
104.05080	2.0
106.06647	6.5
107.06973	0.7
108.04576	11.0
108.08213	0.7
113.02457	0.9
115.00378	0.8
118.06619	0.7
121.05331	3.1
122.02462	0.6
122.06142	3.9
124.07689	4.8
132.04567	5.2
133.04924	0.5
134.06142	2.8
136.04053	0.8
136.07697	37.2
137.08043	1.7
146.06110	1.1
148.07730	2.0
150.05598	4.8
152.07178	0.9
156.08221	0.8
159.05656	1.2
160.04121	0.8
161.04735	0.7
161.07222	0.7
162.05669	1.2
168.06720	1.3
171.09146	0.6
172.07732	1.2
175.02422	0.7
176.07140	1.1
177.06665	1.3
184.06403	2.7
184.07808	1.3
185.07140	3.2
186.09171	0.7
187.06290	0.6
187.08800	1.2
196.06339	1.5
197.07213	5.0
198.04306	0.8
198.07983	3.6
199.05135	7.2
199.08803	5.8
200.05635	0.9
201.06606	1.0
209.07117	1.0
210.07965	4.2
211.08771	20.4
212.05936	9.1
212.09448	8.1
213.06642	2.0
213.10191	3.3
214.08804	1.5
214.12332	1.0
214.97922	0.6
215.08340	0.7
223.08806	2.0
224.05923	0.7
224.09433	4.3
225.07106	3.4
225.10335	43.4
226.07381	2.8
226.10703	4.7
227.08267	23.8
227.11853	1.5
228.08638	2.2
229.09483	0.8
235.08780	1.1
236.05865	1.0
237.06689	3.1
237.10309	1.0
238.07500	2.3
239.08273	3.3
239.11867	5.4
240.08949	2.2
240.12402	0.8
241.09819	8.3
242.10469	1.3
249.10410	0.9
250.11008	1.2
251.08269	12.7
251.11842	2.0
252.08914	3.2
253.06000	0.9
253.09814	17.9
253.12488	1.0
254.10361	1.9
255.11398	7.2
256.12021	2.5
257.12964	29.9
258.13342	3.0
259.13623	0.9
265.09747	2.4
266.07031	0.8
266.10501	1.0
267.08188	1.0
267.11377	13.0
268.11975	3.6
269.09311	1.1
269.12921	4.4
271.11050	0.7
271.14340	0.6
272.11832	1.3
279.07809	2.5
280.08386	1.0
281.12997	2.1
283.10892	2.5
284.11456	0.7
285.12469	4.2
293.09308	1.2
295.10928	6.0
296.11230	1.2
297.08701	0.8
299.10931	0.6
299.14005	16.3
300.14426	1.2
311.10388	1.4
324.99094	0.6
325.11841	2.0
325.15604	9.4
329.11523	1.3
402.18018	0.8
404.16147	1.4
434.17471	1.3
438.19217	1.5
462.16269	0.6
467.20792	0.6
479.21094	1.5
493.22171	0.7
495.20255	1.8
496.20990	1.6
501.19305	1.2
507.20535	1.7
509.25656	1.0
510.23669	0.7
519.20428	3.8
520.20892	1.3
525.21234	4.6
526.22382	0.6
535.23523	2.7
536.24194	0.7
537.21387	2.4
553.24500	65.1
554.25018	14.1
566.43298	0.7
567.22772	3.8
568.22339	1.1
579.22260	2.7
581.20911	0.9
597.23547	88.6
598.23920	16.5
601.23151	2.1
611.21606	4.9
612.22357	1.7
613.23169	1.2
620.95911	0.6
623.21234	1.0
629.26093	2.8
630.26624	1.0
641.22626	37.2
642.22870	7.9
655.24121	2.7
673.25354	100.0
674.25616	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21327	0.6
57.69176	0.8
59.01376	8.7
61.98833	5.7
66.67503	0.6
69.03453	0.7
69.20190	0.5
71.01399	2.8
71.02465	2.0
73.02966	1.4
73.77424	0.6
78.95904	0.6
80.05065	4.6
88.16414	0.7
94.06642	2.3
96.96023	0.9
101.02448	1.7
104.05080	2.0
106.06647	6.5
107.06973	0.7
108.04576	11.0
108.08213	0.7
113.02457	0.9
115.00378	0.8
118.06619	0.7
121.05331	3.1
122.02462	0.6
122.06142	3.9
124.07689	4.8
132.04567	5.2
133.04924	0.5
134.06142	2.8
136.04053	0.8
136.07697	37.2
137.08043	1.7
146.06110	1.1
148.07730	2.0
150.05598	4.8
152.07178	0.9
156.08221	0.8
159.05656	1.2
160.04121	0.8
161.04735	0.7
161.07222	0.7
162.05669	1.2
168.06720	1.3
171.09146	0.6
172.07732	1.2
175.02422	0.7
176.07140	1.1
177.06665	1.3
184.06403	2.7
184.07808	1.3
185.07140	3.2
186.09171	0.7
187.06290	0.6
187.08800	1.2
196.06339	1.5
197.07213	5.0
198.04306	0.8
198.07983	3.6
199.05135	7.2
199.08803	5.8
200.05635	0.9
201.06606	1.0
209.07117	1.0
210.07965	4.2
211.08771	20.4
212.05936	9.1
212.09448	8.1
213.06642	2.0
213.10191	3.3
214.08804	1.5
214.12332	1.0
214.97922	0.6
215.08340	0.7
223.08806	2.0
224.05923	0.7
224.09433	4.3
225.07106	3.4
225.10335	43.4
226.07381	2.8
226.10703	4.7
227.08267	23.8
227.11853	1.5
228.08638	2.2
229.09483	0.8
235.08780	1.1
236.05865	1.0
237.06689	3.1
237.10309	1.0
238.07500	2.3
239.08273	3.3
239.11867	5.4
240.08949	2.2
240.12402	0.8
241.09819	8.3
242.10469	1.3
249.10410	0.9
250.11008	1.2
251.08269	12.7
251.11842	2.0
252.08914	3.2
253.06000	0.9
253.09814	17.9
253.12488	1.0
254.10361	1.9
255.11398	7.2
256.12021	2.5
257.12964	29.9
258.13342	3.0
259.13623	0.9
265.09747	2.4
266.07031	0.8
266.10501	1.0
267.08188	1.0
267.11377	13.0
268.11975	3.6
269.09311	1.1
269.12921	4.4
271.11050	0.7
271.14340	0.6
272.11832	1.3
279.07809	2.5
280.08386	1.0
281.12997	2.1
283.10892	2.5
284.11456	0.7
285.12469	4.2
293.09308	1.2
295.10928	6.0
296.11230	1.2
297.08701	0.8
299.10931	0.6
299.14005	16.3
300.14426	1.2
311.10388	1.4
324.99094	0.6
325.11841	2.0
325.15604	9.4
329.11523	1.3
402.18018	0.8
404.16147	1.4
434.17471	1.3
438.19217	1.5
462.16269	0.6
467.20792	0.6
479.21094	1.5
493.22171	0.7
495.20255	1.8
496.20990	1.6
501.19305	1.2
507.20535	1.7
509.25656	1.0
510.23669	0.7
519.20428	3.8
520.20892	1.3
525.21234	4.6
526.22382	0.6
535.23523	2.7
536.24194	0.7
537.21387	2.4
553.24500	65.1
554.25018	14.1
566.43298	0.7
567.22772	3.8
568.22339	1.1
579.22260	2.7
581.20911	0.9
597.23547	88.6
598.23920	16.5
601.23151	2.1
611.21606	4.9
612.22357	1.7
613.23169	1.2
620.95911	0.6
623.21234	1.0
629.26093	2.8
630.26624	1.0
641.22626	37.2
642.22870	7.9
655.24121	2.7
673.25354	100.0
674.25616	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39262	0.4
59.01381	1.4
71.01389	16.9
71.72511	0.5
71.73036	1.0
72.99325	0.9
77.58142	0.6
82.02994	6.8
83.01408	0.6
89.03954	1.3
101.02462	0.7
106.04283	0.7
115.00394	11.8
117.03487	4.7
119.05067	1.3
119.23656	0.5
122.06174	0.7
128.03505	0.6
128.70097	0.4
133.01456	13.5
134.03761	55.2
135.04182	2.8
136.04068	4.6
137.02428	1.0
149.06125	6.5
154.99849	0.6
161.07306	0.6
163.03984	1.0
164.03551	7.2
164.04791	0.8
175.02530	1.3
177.10432	0.6
178.02757	5.0
182.04652	0.7
193.05083	100.0
194.05328	5.3
195.05418	0.6
196.06140	5.1
223.06004	1.0
223.91000	0.5
227.03490	1.3
244.09879	0.9
255.03023	2.3
256.03391	0.8
270.07635	0.9
271.07251	1.1
281.13718	0.5
284.03293	1.8
285.03799	0.7
287.10397	19.9
288.10715	1.9
291.09885	0.7
300.02707	0.6
309.06219	3.8
319.13101	0.6
331.09341	15.6
331.13138	0.8
332.09814	1.2
363.08243	0.8
363.12006	17.3
364.12231	1.6
373.09082	1.0
374.09589	0.8
549.22070	0.7
575.24042	0.6
610.15216	0.8
666.61786	0.6
673.30884	1.3
693.34717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79582	0.4
55.01874	0.6
57.03453	4.3
58.00608	0.5
59.01381	42.7
60.01723	0.4
61.98841	5.3
67.01886	0.4
68.05589	0.4
69.03459	1.0
69.43233	2.3
69.43668	2.3
71.01390	18.7
71.05037	0.6
72.99323	2.4
73.02589	0.7
73.02960	6.9
74.02495	0.7
75.00888	0.5
77.49937	0.4
78.95908	0.4
80.05080	0.7
82.53458	0.4
83.01399	4.9
83.05028	0.9
85.02956	5.7
87.00889	21.5
88.98804	0.8
89.02464	1.4
95.01378	0.6
95.05058	0.5
96.96034	1.1
97.02957	0.8
97.06622	0.7
99.00923	0.9
99.04539	0.4
101.02466	4.6
103.98008	0.4
107.05070	0.7
109.02962	0.4
111.00890	1.8
112.98814	1.1
113.02478	5.7
115.00392	45.0
116.00706	1.1
116.92896	1.4
119.03522	0.5
119.05077	0.4
120.01301	0.5
121.02975	0.8
122.06134	0.6
127.05161	0.6
128.03540	0.6
129.01961	1.1
130.08774	1.3
131.03543	0.5
133.01439	1.3
135.04553	1.6
139.00388	3.0
143.03566	0.5
143.04607	0.4
154.99895	1.8
157.01448	5.3
161.04634	1.0
161.09752	1.6
161.13403	1.4
163.11238	0.5
173.01039	0.5
174.01723	1.4
175.02507	100.0
176.02878	2.4
185.27094	0.4
187.11290	1.6
189.09309	0.5
205.12280	1.2
207.10304	3.9
223.13411	10.8
224.13625	0.5
237.10248	0.4
240.09019	0.5
249.11197	0.7
255.11465	2.3
265.09747	0.5
267.12405	7.8
268.12589	0.6
291.12204	0.5
301.02905	0.5
309.13602	0.5
341.11383	0.5
381.15247	0.4
398.42371	0.4
407.13516	4.8
408.14041	0.7
425.14542	71.8
426.14865	9.0
434.17239	0.6
540.78699	0.4
610.40125	0.6
611.21643	1.0
611.40320	0.6
629.21051	19.9
630.21375	3.6
641.20776	0.6
647.60901	0.5
672.36597	0.5
673.35840	2.9
674.34064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29793	0.7
61.98835	0.9
69.46486	2.1
69.46892	5.1
71.14154	0.7
107.01393	2.2
108.02148	1.1
121.02948	1.4
135.00784	0.9
148.01663	0.8
151.00407	9.4
159.28348	0.8
163.00380	2.7
167.36533	0.6
169.01416	1.2
178.99878	4.7
216.04205	0.8
227.03700	1.5
243.02971	4.4
244.03339	0.7
245.04427	0.8
254.02213	2.2
255.00432	1.5
255.02971	18.5
256.03195	1.5
271.02463	35.1
272.02945	4.5
273.04111	1.0
273.90646	0.8
283.02512	1.1
299.01923	0.8
300.02771	81.0
301.03461	33.6
302.03909	1.8
346.56549	1.1
428.28149	0.8
609.14752	100.0
610.15076	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	673.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39262	0.4
59.01381	1.4
71.01389	16.9
71.72511	0.5
71.73036	1.0
72.99325	0.9
77.58142	0.6
82.02994	6.8
83.01408	0.6
89.03954	1.3
101.02462	0.7
106.04283	0.7
115.00394	11.8
117.03487	4.7
119.05067	1.3
119.23656	0.5
122.06174	0.7
128.03505	0.6
128.70097	0.4
133.01456	13.5
134.03761	55.2
135.04182	2.8
136.04068	4.6
137.02428	1.0
149.06125	6.5
154.99849	0.6
161.07306	0.6
163.03984	1.0
164.03551	7.2
164.04791	0.8
175.02530	1.3
177.10432	0.6
178.02757	5.0
182.04652	0.7
193.05083	100.0
194.05328	5.3
195.05418	0.6
196.06140	5.1
223.06004	1.0
223.91000	0.5
227.03490	1.3
244.09879	0.9
255.03023	2.3
256.03391	0.8
270.07635	0.9
271.07251	1.1
281.13718	0.5
284.03293	1.8
285.03799	0.7
287.10397	19.9
288.10715	1.9
291.09885	0.7
300.02707	0.6
309.06219	3.8
319.13101	0.6
331.09341	15.6
331.13138	0.8
332.09814	1.2
363.08243	0.8
363.12006	17.3
364.12231	1.6
373.09082	1.0
374.09589	0.8
549.22070	0.7
575.24042	0.6
610.15216	0.8
666.61786	0.6
673.30884	1.3
693.34717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23771	0.7
65.16400	0.7
71.49039	1.6
80.05061	10.7
104.05077	6.6
106.06637	19.5
108.04566	15.7
115.86167	0.7
116.05120	0.9
120.04622	1.1
121.05341	1.7
122.06132	1.2
124.07700	7.2
130.06651	2.7
132.04568	4.3
134.06140	4.3
136.07695	31.4
137.08133	0.8
138.05598	0.7
146.06087	1.0
148.04076	8.2
150.05615	4.0
152.07166	1.1
158.02477	1.5
158.06206	0.7
160.04094	5.6
160.07692	12.1
161.04820	1.9
161.08136	0.9
168.06667	1.3
174.05615	7.3
178.05148	3.2
190.05176	1.3
197.10855	1.5
199.12393	1.8
210.08043	3.3
211.08759	2.2
214.12355	1.6
223.08754	3.5
223.12405	2.4
224.09550	7.0
225.10342	13.1
226.10756	0.9
228.09076	1.0
234.04182	1.9
234.07985	3.0
235.08733	1.1
237.06685	1.4
237.10310	2.1
239.08328	1.2
239.11914	10.7
241.09779	2.4
242.10658	2.3
249.10289	9.3
250.07466	2.7
250.10910	0.9
251.08250	13.7
251.10616	1.3
252.08894	1.2
255.11371	3.2
256.12070	1.2
257.12933	79.9
258.13220	9.1
265.09775	9.3
266.10388	1.8
267.11368	40.7
268.11606	4.1
281.12924	0.9
293.09357	8.9
295.10773	3.7
299.10526	1.0
299.13922	1.1
301.11826	1.5
309.08823	0.9
311.10391	12.7
312.10828	0.8
325.11865	1.8
346.15628	0.8
355.09433	2.4
364.16840	1.0
390.18323	4.3
392.19720	2.3
402.18286	1.7
436.18744	42.0
437.18964	7.3
444.19315	2.1
483.24045	7.8
489.23074	1.9
491.20786	1.1
505.21893	0.8
509.22104	2.2
527.24109	0.9
533.22003	2.7
534.22662	1.0
549.21027	1.6
551.22949	25.1
552.22717	4.0
577.20917	4.5
578.21332	1.1
595.21985	100.0
596.22357	16.7
596.31409	1.4
627.24792	11.1
628.24799	1.8
639.21100	36.3
640.21350	4.8
671.23639	61.4
672.23975	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14076	0.7
54.43284	0.5
59.01114	0.9
59.01379	7.8
61.98826	1.4
71.20125	1.8
80.05067	10.8
85.02952	0.7
104.05076	6.7
106.06636	21.5
108.04565	15.1
108.08220	0.9
120.04569	1.2
121.05357	0.8
122.06135	1.9
124.07706	10.1
130.06647	2.7
132.04567	4.7
134.06137	3.2
136.07695	34.4
137.08052	1.6
143.14464	0.7
146.06190	0.7
148.04070	9.4
150.05661	3.8
150.06624	0.7
152.07230	1.2
158.02463	2.0
158.06096	1.5
160.04057	4.0
160.07706	10.4
161.04831	1.8
164.11415	0.6
168.06694	2.1
174.05617	7.4
176.03644	1.0
178.05101	3.4
183.09229	0.9
190.05112	2.0
195.09377	0.6
197.07216	1.3
197.10791	1.5
199.12463	1.3
208.09988	1.0
210.07933	3.8
211.08742	2.4
213.13884	1.1
221.10771	0.9
223.06886	0.7
223.08771	3.8
223.12415	2.7
224.09569	11.1
225.10309	16.9
226.10727	1.1
227.08189	1.1
228.08960	1.4
229.13419	0.7
234.04054	1.9
234.07962	2.9
235.08691	1.7
237.06705	1.3
237.10359	3.7
238.11005	0.8
239.08226	3.8
239.11870	11.2
241.09801	3.1
242.10565	1.9
247.08708	0.8
248.09410	0.9
249.10312	9.3
250.07442	3.4
250.10538	1.6
251.08240	14.8
252.08925	2.6
253.09807	0.9
254.06929	1.5
255.11375	3.7
256.12021	0.9
257.12949	92.1
258.13245	7.7
263.08289	1.3
265.09796	10.5
266.10416	2.2
267.11374	43.2
268.11609	3.6
269.09338	0.9
278.07019	1.6
281.12839	1.4
285.12500	0.7
293.09317	12.6
293.24921	0.8
294.09583	0.8
295.07632	1.0
295.10822	3.7
299.10489	0.8
301.12000	2.4
311.10376	17.5
312.10602	1.5
325.11972	1.5
337.08200	1.1
355.09335	3.0
364.16785	1.3
387.11984	1.3
390.18353	3.8
391.18546	0.8
392.19736	3.0
402.18448	2.0
436.18768	51.0
437.19092	6.8
444.19299	1.8
445.19583	1.3
483.24237	6.2
484.24271	1.4
489.23138	2.3
491.20950	1.5
509.21991	3.5
510.22308	1.0
520.20801	1.3
527.22974	1.2
533.21954	2.5
549.21033	1.4
551.22925	26.9
552.23187	4.5
577.20984	6.1
578.21100	1.0
583.03827	0.7
595.22009	100.0
596.22333	21.4
621.20435	2.0
627.24805	11.7
628.24921	2.8
639.21021	39.6
640.21387	7.9
671.23682	68.4
672.24048	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.5
61.43479	0.6
61.98830	1.7
64.56650	0.5
70.22884	1.6
70.23299	1.3
80.05073	3.6
94.06675	0.6
96.08204	0.5
96.90327	0.6
101.02460	0.8
104.05083	4.5
106.06647	15.1
107.06966	0.7
108.04599	0.8
108.08212	0.7
122.06129	1.7
123.04535	0.7
123.48547	0.6
124.07699	10.4
130.06662	1.8
132.04576	11.7
134.06151	3.4
136.07730	1.5
148.04060	1.3
150.05627	2.5
151.07677	1.1
152.07144	1.4
158.02545	0.7
160.04102	3.6
160.07738	3.0
161.04785	1.5
167.07098	0.8
168.06659	2.0
174.05614	1.7
183.09155	0.8
187.06400	0.8
187.08783	1.5
190.05124	1.2
195.09251	1.0
197.07176	1.1
197.10823	1.1
207.09323	0.9
208.06487	0.9
210.07971	4.3
211.08784	2.3
213.06673	2.0
213.14125	0.6
214.08836	0.5
221.10783	1.4
222.07930	1.1
223.06772	1.1
223.08810	7.5
223.12399	2.1
224.09576	13.7
225.10344	19.9
226.10727	1.3
228.09038	0.7
229.13522	0.6
234.08023	1.3
235.08731	2.4
236.05919	2.5
237.06598	1.6
237.10368	4.5
238.08792	0.9
239.08200	0.9
239.11880	9.3
241.09840	2.4
242.10562	1.6
247.08682	1.4
248.09401	0.8
249.10310	5.8
250.07443	8.3
251.08240	33.7
252.08755	4.3
255.11366	1.9
257.12970	30.9
258.13242	2.3
264.09039	0.8
265.07056	1.0
265.09833	16.6
266.10233	2.4
267.11389	42.5
268.11731	4.6
269.09286	1.5
275.08273	0.7
278.07056	0.7
281.12903	0.8
283.10794	1.5
285.12488	1.9
293.09329	62.3
294.09595	6.8
301.11905	11.2
302.12305	1.1
309.09027	0.9
311.10385	40.1
312.10623	4.5
325.11975	1.2
337.08243	4.0
355.09369	63.7
356.09714	6.7
384.13620	1.2
387.12018	5.0
398.15234	1.0
418.17853	0.8
426.14655	2.1
436.18777	6.3
437.19366	1.2
444.15427	1.6
470.13531	2.7
471.14145	1.2
488.14554	1.5
514.12592	1.0
515.13202	3.6
520.17114	3.5
521.17291	0.7
546.15118	0.9
547.14874	0.7
551.23120	3.6
551.82507	0.6
577.21143	3.8
578.21368	0.7
595.22003	20.5
596.22107	3.5
609.15308	0.8
611.38318	1.2
621.19916	1.4
627.24768	2.8
628.25958	0.6
639.21118	100.0
640.21442	23.8
640.32324	0.6
658.61548	0.6
670.39221	0.8
671.23639	12.1
671.40717	3.0
672.23535	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	671.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.9
59.81182	0.5
61.98836	0.9
70.48756	1.5
78.59660	0.6
78.64980	0.6
80.05064	9.3
85.02924	0.6
94.06651	0.7
95.03791	0.6
104.05064	6.7
106.06638	19.0
107.06933	0.7
108.04568	16.3
108.05322	0.8
108.08221	0.5
116.05103	0.6
118.96316	0.6
120.04610	0.6
121.05392	1.1
122.06119	1.7
124.07697	8.7
130.06613	2.5
130.45192	0.6
132.04572	5.1
134.06133	4.6
136.07703	28.9
137.08031	1.2
146.06059	0.7
148.04062	8.0
150.05637	3.9
151.07651	1.9
152.07164	1.4
158.02492	2.3
158.06078	0.7
160.04077	4.5
160.07698	10.8
161.04895	1.3
161.08160	0.7
167.07172	1.3
168.06715	1.3
171.67094	0.6
174.05630	7.7
176.03406	0.6
178.05122	3.0
183.09381	0.6
186.05684	0.7
187.06454	0.7
190.05107	1.8
197.10811	1.5
199.12375	1.2
199.26852	0.6
202.83371	0.6
208.10040	0.8
209.07289	0.7
210.07947	3.2
211.08768	3.1
214.12372	0.9
221.10866	0.9
223.08766	3.0
223.12421	2.2
224.09532	9.4
225.10315	16.1
226.10649	0.7
227.08302	0.9
228.09013	0.8
234.04054	1.3
234.07936	2.8
235.08618	1.3
236.05820	0.9
237.06703	1.4
237.10350	2.3
238.08821	1.0
239.08220	0.8
239.11905	10.5
240.10240	0.7
240.12474	0.8
241.09825	3.2
242.10521	1.9
248.09572	0.6
249.10353	6.7
250.07457	2.4
250.10959	1.2
251.08247	13.3
252.08945	2.4
255.11327	4.8
256.11981	1.1
257.12939	86.0
258.13242	7.3
264.13339	0.7
265.09753	7.8
266.10373	2.8
267.11359	39.9
268.11743	4.1
269.09241	0.7
277.09668	0.8
281.09372	0.8
281.12912	1.6
285.12442	0.6
293.09277	11.0
294.09839	0.6
295.10852	3.4
299.10507	0.7
301.11935	1.8
307.78778	0.6
311.10382	13.9
312.10828	1.4
325.11801	1.1
337.45645	0.6
355.09399	3.4
364.16492	0.7
387.12061	1.2
390.18130	3.5
392.19788	2.0
402.18088	1.7
414.14313	1.0
436.18744	43.8
437.19003	5.3
442.17932	0.9
444.18936	2.6
483.24097	6.2
484.24301	1.0
489.23001	2.5
491.21008	1.3
507.23956	0.7
509.21924	3.4
518.19788	0.9
520.20715	0.8
527.23364	1.3
533.21802	1.8
549.21240	1.5
551.22937	28.0
551.76154	0.7
552.23535	4.8
577.20953	5.8
578.21210	1.5
595.21997	100.0
596.22327	20.4
611.38165	0.9
621.19958	0.9
627.24677	10.9
628.24963	1.9
639.21069	38.5
640.21344	8.5
671.23682	58.0
671.40454	2.5
672.23962	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	669.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84757	0.8
59.01377	3.3
70.29510	4.0
71.01389	9.2
72.99302	0.9
73.02946	1.5
75.00884	1.4
78.95925	1.9
85.02962	2.6
85.22460	0.7
86.75851	0.8
87.00875	1.0
89.02453	2.4
93.03453	1.4
96.96006	1.2
96.96989	1.7
101.02462	1.5
109.02998	1.3
113.02477	1.5
113.03545	0.8
114.34063	0.7
115.00378	6.2
116.92879	2.6
117.01959	1.4
119.05018	5.6
120.01227	0.9
121.02971	12.7
122.03747	4.4
123.04634	0.9
125.02408	0.7
129.01923	1.1
132.02159	1.0
132.04568	1.1
133.01456	11.9
133.03011	1.8
134.03757	63.5
135.04456	5.4
137.02470	7.0
139.04007	2.2
147.04506	1.6
149.02472	18.8
149.04924	1.1
149.06099	17.6
150.03249	39.2
150.06512	0.9
151.03920	1.6
163.04047	6.9
164.04767	4.2
165.05586	50.0
166.05946	1.9
175.02545	0.9
175.03972	1.3
176.04800	1.3
178.01164	1.6
178.02725	33.0
179.03294	3.2
179.26405	0.8
180.04243	3.8
181.05032	1.0
191.07111	0.8
193.05070	100.0
194.05467	7.3
195.06650	19.9
195.08099	0.7
196.07047	0.9
199.86908	0.7
221.06200	1.0
233.05974	0.9
234.06773	1.5
235.06003	1.3
239.07202	2.5
250.06242	3.8
253.08841	1.0
265.08560	1.5
267.06567	1.9
282.08951	11.5
297.11407	1.8
306.07553	0.9
315.12357	2.6
326.07996	1.1
329.10477	1.6
341.10294	28.0
342.10547	3.0
345.13635	1.6
373.14075	0.9
389.12411	53.0
390.12900	5.0
397.82303	0.8
488.22580	0.8
507.14838	12.7
508.15649	1.5
549.15881	1.6
551.17596	11.9
552.18097	2.2
553.14728	1.4
625.33527	1.9
663.75555	0.9
669.20483	53.8
670.20795	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	668.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70676	0.2
60.91970	0.2
61.98832	100.0
71.72233	0.3
78.95931	0.3
79.17616	0.2
79.95731	0.4
84.91917	0.2
85.03707	0.2
95.95244	1.8
96.96016	3.3
152.99660	0.4
167.31111	0.2
176.72104	0.2
277.21835	0.5
279.29611	0.2
330.94669	0.3
501.79608	0.2
507.20746	0.2
529.22253	1.1
583.30829	0.2
668.26123	1.5
669.25824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75785	0.3
70.73977	0.5
70.74368	0.7
71.01388	9.8
72.99325	2.1
74.02464	0.5
77.76920	0.2
87.00890	0.3
87.05660	0.4
89.02459	1.1
107.05055	0.6
115.00395	27.7
116.00742	1.0
118.91669	0.3
133.01454	100.0
134.01810	2.1
134.03769	1.5
135.04546	25.7
136.04912	1.4
179.03517	25.4
180.03860	1.2
196.64578	0.2
203.88104	0.3
209.03081	0.4
211.74695	0.2
253.67287	0.3
295.04590	3.7
310.89185	0.3
324.49710	0.3
373.21063	1.0
389.96765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03176	0.4
57.03450	5.2
59.01372	4.2
60.80144	0.3
68.99825	0.6
70.91777	0.8
71.01388	7.0
71.01762	0.5
72.99308	1.8
75.00887	1.2
83.01404	1.2
84.02170	1.5
85.02959	48.2
86.03296	0.9
87.00885	1.2
89.02457	3.1
90.08851	0.3
96.96041	0.4
98.20039	0.3
101.02462	0.6
103.00371	0.9
111.00882	1.5
115.00384	4.1
119.05058	0.6
128.03629	0.4
129.01956	3.3
130.02219	0.3
133.01448	18.1
134.01801	0.5
134.03671	0.3
135.04546	5.1
136.04907	0.4
147.03021	3.2
151.04024	0.5
163.04056	0.9
173.00952	0.8
179.03522	3.9
191.01996	17.3
192.02327	0.5
209.03033	100.0
210.03392	3.6
235.06139	0.7
265.07120	0.7
295.04657	1.3
348.96735	0.4
353.05173	0.7
371.06119	11.3
371.09979	1.5
372.06396	1.3
372.19009	0.6
397.48413	0.3
506.99762	0.3
607.24738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	0.4
58.94282	0.4
59.01373	1.6
71.00989	0.9
71.01385	17.1
72.30560	0.4
72.99298	1.3
78.95922	3.2
85.02959	1.9
89.02467	0.8
93.03454	0.9
93.95753	0.4
96.96030	6.4
96.96963	5.0
101.02467	0.6
111.00912	0.8
115.00391	23.3
119.05044	45.5
120.05367	2.3
128.03558	0.8
129.01999	0.7
133.01453	67.4
134.01773	1.8
134.03764	2.2
135.04555	0.8
143.04587	0.5
148.24313	0.5
149.02405	0.5
149.06120	0.7
163.04028	100.0
164.04344	5.1
179.07132	0.7
193.05132	3.5
197.09639	0.5
205.03572	1.0
223.04523	3.6
235.81259	0.4
239.10583	0.5
269.64206	0.5
279.05087	7.3
280.85614	0.5
283.09769	0.6
288.69354	0.5
301.10645	0.8
419.10883	0.8
435.12912	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	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01384	2.2
71.01389	14.6
71.71577	0.4
71.71996	0.7
72.99303	2.2
73.02943	0.5
83.65569	0.4
85.02950	3.0
87.00875	1.1
89.02471	2.1
93.03445	0.5
95.95981	0.3
97.57772	0.4
101.02442	0.5
109.55611	0.4
115.00389	31.0
116.00770	0.6
117.03477	0.9
119.05042	24.9
120.05346	1.0
123.04592	0.4
129.01912	0.5
133.01450	100.0
134.01823	2.4
134.03754	10.2
135.04489	0.9
137.02470	0.4
145.88171	0.4
147.03001	0.6
149.06064	1.4
163.04024	31.3
164.04355	1.3
175.02515	0.8
178.02780	0.9
179.03400	0.5
186.05972	0.4
191.02020	2.6
193.05083	18.3
194.05377	1.0
195.06726	0.6
209.03082	0.8
219.02930	0.4
227.03571	1.5
233.82869	0.5
253.08772	0.6
255.03041	2.8
256.03323	0.7
279.05103	6.0
284.03247	2.6
285.03867	1.0
307.59811	0.4
309.06055	1.0
341.48538	0.4
357.09842	6.8
358.10107	2.2
394.76569	0.5
549.12793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03456	0.5
57.18186	0.2
57.18483	0.2
58.00581	1.4
59.01379	30.6
60.01718	0.5
71.01386	18.8
71.19031	0.3
71.71946	0.3
71.72315	0.2
72.01734	0.3
72.99301	1.2
73.02957	0.6
78.95909	5.7
83.01400	0.9
85.02959	4.0
87.00881	0.7
89.02454	22.4
90.02792	0.4
95.01403	1.5
96.96957	3.4
98.19991	0.2
99.00917	0.2
99.46125	0.2
101.02457	13.2
102.02770	0.2
102.83331	0.2
111.00990	0.2
111.02011	0.8
113.02460	8.1
113.03249	0.5
115.00403	0.7
115.71989	0.2
119.03519	9.5
120.03798	0.3
125.02470	0.3
131.03510	0.6
133.01389	1.1
135.04555	0.3
143.03510	0.9
143.07198	0.3
146.51315	0.2
149.04597	0.6
150.98029	0.2
161.04576	0.7
161.08168	0.3
175.02475	0.4
179.05638	1.4
185.52020	0.2
191.01987	0.3
211.00223	0.4
218.36551	0.2
274.40280	0.2
323.03073	5.3
323.13467	100.0
324.03250	0.6
324.10019	0.4
324.13806	8.2
352.60904	0.2
357.09918	0.5
549.11475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01380	2.8
61.98817	0.5
69.79613	0.8
69.80038	1.1
71.01387	17.0
72.01736	0.2
72.99332	0.9
73.02952	0.5
74.99100	0.4
75.00895	0.3
83.01403	0.4
85.02957	8.7
87.00900	0.5
89.02441	1.9
91.01937	0.3
93.03442	1.3
96.99310	0.5
98.19788	0.3
101.02460	1.1
111.00885	0.5
113.02492	0.6
115.00393	9.3
117.03481	0.7
119.05045	41.3
120.05378	1.9
123.04617	0.7
126.47283	0.3
129.01979	1.3
133.01453	9.7
134.03761	7.2
135.04501	1.2
143.05049	1.0
145.02937	0.5
146.03769	0.4
147.03029	1.5
149.04588	0.6
149.06087	0.9
159.04546	0.5
161.04637	0.5
161.06044	0.4
163.04030	100.0
164.04376	4.3
173.00966	0.5
175.02521	0.6
178.02736	0.8
179.03465	0.5
179.05603	0.3
191.01996	7.8
192.99724	0.3
193.05084	13.0
194.05409	0.7
209.03011	2.0
223.04579	0.5
226.06328	0.3
241.08772	0.4
251.07164	1.6
252.07973	0.8
253.08647	0.4
279.05045	6.7
280.07428	1.1
295.09760	1.2
309.06274	0.6
339.08759	0.7
357.09808	10.7
358.10300	1.5
549.12421	2.9
620.63031	0.3
665.30103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
64.85384	0.3
67.85090	0.3
69.89507	1.2
69.89932	0.9
71.01385	13.9
73.23619	0.4
74.83007	0.3
77.49104	0.3
85.02962	0.6
89.03985	0.7
106.04274	0.3
115.00397	6.8
117.03496	4.6
119.05057	0.6
121.02927	0.3
133.01436	1.8
134.03766	51.2
135.04044	2.1
137.02460	1.0
145.11926	0.3
149.06116	5.7
163.04028	0.4
178.02748	5.6
191.01999	0.4
193.05077	100.0
194.05412	4.5
255.03026	0.6
284.03256	1.0
309.06238	3.3
312.09796	0.3
327.08777	0.5
357.09607	0.4
456.19232	0.3
548.33685	0.3
548.59729	0.3
604.10010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01384	2.2
71.01389	14.6
71.71577	0.4
71.71996	0.7
72.99303	2.2
73.02943	0.5
83.65569	0.4
85.02950	3.0
87.00875	1.1
89.02471	2.1
93.03445	0.5
95.95981	0.3
97.57772	0.4
101.02442	0.5
109.55611	0.4
115.00389	31.0
116.00770	0.6
117.03477	0.9
119.05042	24.9
120.05346	1.0
123.04592	0.4
129.01912	0.5
133.01450	100.0
134.01823	2.4
134.03754	10.2
135.04489	0.9
137.02470	0.4
145.88171	0.4
147.03001	0.6
149.06064	1.4
163.04024	31.3
164.04355	1.3
175.02515	0.8
178.02780	0.9
179.03400	0.5
186.05972	0.4
191.02020	2.6
193.05083	18.3
194.05377	1.0
195.06726	0.6
209.03082	0.8
219.02930	0.4
227.03571	1.5
233.82869	0.5
253.08772	0.6
255.03041	2.8
256.03323	0.7
279.05103	6.0
284.03247	2.6
285.03867	1.0
307.59811	0.4
309.06055	1.0
341.48538	0.4
357.09842	6.8
358.10107	2.2
394.76569	0.5
549.12793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41669	2.7
69.42096	2.2
71.01388	12.1
72.99341	0.6
82.05893	0.4
85.02947	1.3
89.02470	0.6
96.76167	0.4
98.20642	0.9
115.00389	13.5
116.00753	0.6
119.05047	41.4
120.05377	1.9
133.01454	37.8
134.01837	0.6
163.04030	100.0
164.04378	5.6
174.06477	0.4
191.02026	0.6
209.03056	1.9
279.05106	7.2
280.05444	0.8
357.10007	0.5
371.13239	0.4
404.41504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68498	0.2
59.01379	100.0
60.01721	1.0
61.98832	0.4
63.47024	0.2
64.14509	0.1
69.73847	1.2
78.95920	0.3
83.05028	0.2
90.83644	0.2
98.19942	0.4
101.98137	0.1
122.20135	0.2
138.56610	0.2
200.23228	0.2
201.36182	0.2
279.23422	0.2
487.72943	0.2
563.39240	0.2
660.43408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01380	100.0
59.25257	0.2
59.69294	0.2
60.01717	1.2
61.98843	0.4
64.47129	0.1
70.22576	0.8
78.95934	0.2
83.05051	0.3
99.37598	0.2
113.65630	0.2
161.17767	0.2
196.27985	0.2
473.94284	0.2
495.15204	0.2
523.35919	0.4
541.37054	0.7
545.38092	0.4
548.36523	0.2
563.38812	0.9
564.39606	0.4
581.40259	0.4
672.95099	0.2
687.27966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98833	0.8
64.57295	0.5
68.45695	0.4
68.52932	0.4
70.08894	0.4
71.01388	12.4
72.99315	2.1
73.02945	0.4
73.92531	0.4
85.02975	0.5
87.00890	0.9
89.02444	1.4
93.91364	0.4
99.00903	0.5
110.07322	0.4
115.00391	30.6
116.00709	0.6
119.05045	25.5
120.05366	1.6
125.02451	0.5
128.03539	0.5
133.01453	100.0
134.01810	2.9
134.03731	1.6
154.99939	0.5
163.04027	38.9
164.04370	2.4
168.09802	0.4
172.12491	0.5
175.02515	0.6
179.03580	0.5
193.05107	3.1
214.86525	0.5
236.16486	1.0
248.16565	0.5
252.15909	0.6
279.05133	7.2
661.37262	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	659.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03662	1.8
57.03444	2.3
58.31084	1.8
59.01380	42.6
61.45037	1.9
61.98840	36.1
69.55837	2.1
71.01386	16.7
71.74151	2.4
72.99316	3.2
73.02956	5.4
78.95917	2.0
80.05066	5.6
83.01392	4.1
85.02979	7.2
87.00882	4.3
89.02444	5.4
94.06660	4.3
95.05032	2.9
96.96053	3.2
101.02466	9.2
106.06650	6.7
108.04557	15.1
113.02482	6.3
115.00388	6.7
116.92881	2.1
119.03515	2.7
121.02980	5.6
122.06138	8.5
123.92278	2.3
124.07727	6.8
129.69110	1.8
130.06682	2.1
132.04590	8.9
136.07695	27.7
139.04044	6.9
145.27209	2.1
146.06175	3.7
148.07628	2.3
150.05638	4.0
154.99910	4.8
158.06174	8.2
160.04099	5.3
161.04695	2.5
162.05637	3.1
174.09265	3.3
175.02545	3.9
179.05598	2.9
184.07713	2.8
197.08643	2.3
200.07082	2.0
201.10609	1.9
202.08754	3.6
210.09286	3.8
211.08792	5.3
212.07281	3.1
212.11125	11.0
213.10458	7.7
214.08910	3.0
221.06827	2.7
225.06702	3.6
225.10278	3.7
226.07349	2.7
226.12485	3.1
227.08311	6.4
227.11870	4.1
228.10310	7.6
236.16473	4.5
239.08167	7.1
239.11874	3.9
240.08891	10.7
241.09644	3.4
253.09895	16.1
254.10245	2.5
255.11389	53.8
256.11786	8.7
257.12970	58.9
258.13373	2.7
266.07123	2.2
267.07458	2.2
281.09308	15.1
281.12146	2.7
283.10791	5.9
285.12445	2.8
295.10861	2.5
297.08929	2.9
299.10437	5.3
299.14087	10.4
325.12015	2.3
380.16684	2.0
403.98889	2.0
492.21631	2.5
539.22876	9.3
554.22937	2.9
565.20953	18.6
566.21796	4.6
572.24438	14.6
583.21899	66.5
584.22455	14.2
598.22412	3.4
615.24512	69.4
616.23340	100.0
627.21259	13.4
641.24982	2.2
642.21887	2.7
659.23590	12.7
659.36316	11.3
660.24640	3.2
660.36340	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	659.3558
Annotation	Yungensin C
Peak:m/z	Relative Intensity
50.53719	0.4
51.31756	0.4
55.01878	2.6
57.03447	1.5
59.01381	2.4
61.98828	0.7
71.01389	5.3
72.99303	1.0
73.02943	0.9
83.01395	3.7
85.02982	1.9
87.00891	2.9
88.98835	0.7
89.02459	0.6
95.01382	1.5
99.00903	4.1
100.01676	3.7
101.02474	0.7
110.00130	0.7
111.00891	2.6
113.02451	1.1
115.00368	4.2
116.92870	0.6
117.03521	0.4
119.05054	4.2
123.00918	0.5
124.01662	1.1
124.98842	0.7
125.02519	0.5
125.23369	0.3
127.00352	0.7
128.03477	0.6
133.01451	5.5
134.03745	1.2
135.04509	0.6
137.99611	7.6
138.05598	0.7
139.00438	2.5
140.98309	0.6
142.99889	2.3
153.99136	1.9
154.99892	16.6
156.00600	1.7
157.01408	1.4
163.04021	7.8
164.04443	0.5
168.10315	2.7
170.99342	0.4
175.02444	0.6
181.01407	0.7
192.17601	1.1
193.05038	1.9
195.13936	0.7
196.03784	1.7
196.06027	0.4
197.16110	0.3
211.06145	2.8
218.15483	1.1
226.08031	0.5
234.15007	4.3
236.16562	44.0
237.16879	3.3
248.16553	4.1
249.16765	0.4
254.17621	7.0
255.18083	0.5
260.16580	0.4
264.19727	1.1
272.16638	0.6
274.18045	1.1
276.19574	2.9
284.16602	1.0
285.08746	0.7
286.18167	1.4
290.17661	0.6
292.19183	1.8
302.17709	1.2
304.19147	1.4
320.18680	2.3
330.16827	0.5
374.15543	0.4
379.11368	0.6
473.33771	2.1
543.20947	0.6
557.35938	1.2
585.35474	0.9
611.33447	1.1
615.36621	0.9
629.34583	14.8
630.35162	3.0
659.35590	100.0
660.35962	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	0.7
59.01380	9.5
61.98829	6.4
69.55250	0.6
70.65521	2.0
71.01378	2.6
73.02947	0.6
80.05078	3.5
83.05042	0.8
84.46774	0.6
85.02950	0.8
85.07542	0.6
87.00889	0.9
96.00900	0.7
96.96001	0.9
99.00900	1.1
101.02425	2.2
104.05070	1.6
106.06644	2.3
108.04578	4.9
113.02482	1.3
116.30299	0.6
116.92863	1.4
119.05006	0.9
121.02973	2.0
122.06099	1.1
124.07683	2.7
127.03959	0.7
132.04570	3.0
134.06148	1.0
136.06723	1.0
136.07709	14.2
139.04018	2.3
143.89041	0.7
146.06143	6.7
148.04108	1.2
150.05630	0.8
150.06772	1.3
158.06064	1.2
160.04030	1.8
161.04720	0.7
161.06039	0.8
163.07622	0.7
172.04071	1.1
172.07709	4.3
174.05661	0.7
179.10767	0.8
179.25060	0.8
182.06108	0.7
184.07695	1.6
185.04820	2.3
186.05630	2.1
186.09264	0.9
196.07657	1.1
197.08406	1.0
198.05585	1.8
198.09251	1.2
200.07141	3.1
209.08266	1.0
210.05431	0.8
210.09288	0.9
211.06389	2.3
212.07097	2.2
212.10844	1.4
213.04317	14.6
213.07732	1.1
214.04866	1.7
214.08727	3.1
214.12263	0.8
216.10269	1.9
224.07220	1.5
224.10757	2.2
225.07816	0.7
226.05089	1.6
226.08730	4.8
227.05807	1.9
227.09291	0.8
228.06662	10.0
228.10217	1.6
232.02516	0.9
238.08563	0.7
239.11874	1.0
240.06715	2.7
240.10281	2.7
241.07460	10.0
241.09814	1.7
242.11732	1.4
247.05261	0.8
250.08722	1.2
253.07422	1.4
254.08221	2.6
256.06815	1.3
256.09781	17.4
257.07086	1.6
257.10126	1.8
257.12915	18.2
258.07593	0.8
258.13177	0.9
263.08282	0.8
268.09772	3.7
270.07495	1.1
272.05676	4.4
281.12634	1.0
282.07715	2.2
286.10843	1.9
297.12546	1.1
299.14035	1.2
300.08994	1.6
301.11993	0.8
313.12085	0.8
316.04767	1.4
326.06860	0.9
327.11337	0.9
330.09863	1.1
331.10498	0.7
341.15100	9.1
342.15158	1.1
344.07846	3.9
374.09122	1.1
391.16534	1.0
393.18100	6.8
403.16812	0.9
430.17648	1.6
437.17209	2.1
455.15756	1.2
468.15536	0.9
483.17899	0.9
493.19998	2.4
495.36676	3.2
496.37439	1.3
508.22589	4.2
509.23032	1.4
518.05615	0.7
526.23810	2.1
552.21033	1.9
570.22577	10.3
571.22577	1.6
583.24762	0.8
614.21387	7.9
615.21979	3.0
657.40094	1.2
658.20490	100.0
659.20544	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92099	0.2
57.03443	0.3
58.04062	0.2
59.01086	0.3
59.01376	4.6
60.01680	0.2
60.99296	0.6
61.98837	3.3
69.03460	0.2
69.44984	1.9
71.01385	1.5
71.17426	0.2
72.99311	0.2
73.02943	0.5
74.94852	0.2
78.95885	0.2
83.01389	0.2
83.05026	0.3
85.02960	0.6
87.00893	0.5
88.98776	0.2
89.02453	0.7
93.03465	2.3
95.01430	0.2
96.96037	0.3
97.06618	0.2
99.92628	0.2
101.02448	1.0
104.14507	0.2
106.04268	0.5
106.06628	0.3
108.02195	0.5
109.06602	0.2
113.02458	0.6
113.69443	0.2
115.00432	0.4
116.92854	0.4
119.05045	25.1
120.05354	0.8
121.02970	100.0
122.03307	3.5
122.06149	0.2
125.09751	0.2
125.87366	0.2
130.08739	0.3
133.01431	0.4
135.04588	0.2
136.05319	0.2
136.07729	0.2
145.06602	0.6
146.06139	0.3
149.07230	0.2
150.05678	0.2
151.07687	0.2
154.99899	0.3
161.04607	0.3
163.04028	5.0
164.04393	0.2
165.09236	0.3
168.10342	0.4
169.06726	0.2
170.11871	0.4
171.08163	0.7
172.08878	0.2
175.02377	0.4
179.14462	0.5
181.05096	0.2
195.13919	0.5
209.15436	0.5
221.06624	0.2
223.13445	0.2
227.14447	1.2
232.17033	0.3
233.15341	0.2
234.14980	0.7
234.18698	0.6
235.17101	0.7
236.16557	7.4
237.14980	2.6
237.16959	0.5
238.18120	9.4
239.18535	0.8
250.18103	2.8
251.18549	0.2
252.19691	8.2
253.20016	0.6
254.17625	0.5
256.19168	4.8
257.13013	0.4
257.19519	0.3
262.17950	0.2
263.16562	0.7
269.15460	0.5
273.15024	0.6
278.17593	2.5
280.19119	0.4
287.16483	0.8
295.20798	0.2
296.18680	3.8
297.18958	0.4
301.18152	0.7
309.56207	0.2
313.18234	0.4
315.19678	0.4
338.21188	1.3
339.19888	0.5
356.22314	6.1
357.22528	0.9
418.33340	0.5
475.35159	0.9
491.38684	0.9
495.33472	0.4
495.98059	0.2
502.35745	0.4
517.36432	0.5
519.37952	1.1
535.37482	16.7
536.37811	3.0
595.22369	0.7
595.41180	11.3
596.41486	2.8
614.21826	0.5
657.41559	18.0
658.42236	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	657.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00893	0.6
59.01378	6.7
61.98828	4.2
69.45176	1.9
69.45587	5.0
71.01374	2.0
71.52269	0.6
72.99282	0.6
73.25376	0.6
74.39520	0.6
78.03574	0.6
80.05048	1.5
82.02976	1.6
85.02950	0.8
89.02459	0.7
96.96017	1.2
98.20690	1.3
99.92567	1.5
101.02448	1.7
104.05050	0.6
106.06638	3.6
108.04578	5.5
111.80836	0.6
113.02458	1.2
115.92078	1.0
116.92879	5.7
121.02954	0.8
122.06130	0.9
124.07701	3.1
132.04532	1.8
134.06128	1.9
136.07698	14.2
137.08037	1.1
139.04025	0.8
146.06097	1.1
146.31409	0.7
148.21848	0.6
150.05591	1.9
155.64740	0.7
160.04008	1.2
162.05588	0.6
174.01807	0.8
175.02332	0.9
188.07132	0.7
197.07295	1.0
199.05092	1.1
199.08699	0.9
210.07849	0.9
211.08685	3.0
212.05794	1.3
213.06648	2.0
214.08775	0.9
225.06676	2.5
225.10249	3.1
226.07410	6.5
226.10788	0.9
227.04684	4.8
227.08185	5.9
227.11818	0.8
228.08858	0.9
229.06129	1.1
238.07440	1.9
239.08269	12.9
239.10741	0.9
239.11816	1.5
240.05338	2.0
240.09001	13.9
241.09761	4.5
242.04532	0.8
243.05260	1.4
249.10257	1.1
251.08220	2.2
252.08868	4.2
253.09804	26.3
254.07021	1.0
254.10135	4.6
255.07770	10.4
255.11252	2.6
257.09152	1.0
257.10025	0.9
257.12967	13.0
258.13205	2.7
259.13498	1.5
263.08200	0.8
264.08932	0.7
265.06085	1.1
265.09665	0.9
267.07635	1.5
267.11325	3.9
268.11798	0.8
269.09229	1.8
269.12900	0.7
271.10864	1.0
277.09711	1.8
278.10077	1.3
279.07690	4.0
279.11261	1.9
280.08261	2.0
281.09296	8.9
282.09851	1.3
285.12521	0.8
293.09210	0.8
294.09808	0.8
295.10864	15.6
296.11359	5.5
297.12363	7.1
299.10355	8.2
299.13983	4.4
311.10382	0.9
321.08832	1.4
322.09085	1.2
323.10324	3.1
324.10611	0.8
325.15646	1.9
339.09869	1.3
341.11417	0.8
436.18851	1.4
437.19272	1.1
438.19427	0.9
538.22815	0.7
553.23712	2.7
563.23083	4.3
565.20953	1.1
580.22974	1.0
581.24023	100.0
582.24329	18.4
585.23657	2.4
595.25220	1.6
607.21851	2.4
625.22717	25.6
626.23254	5.1
657.25696	38.4
658.26215	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03062	0.4
56.99692	0.3
59.01386	1.8
61.64546	0.3
64.77801	0.4
66.94617	0.3
69.66035	2.9
80.05062	6.8
89.47072	0.3
90.03523	0.4
94.06605	0.4
96.88891	0.3
104.05106	0.4
106.06641	14.4
107.07017	0.5
108.04568	11.0
108.08202	3.7
116.05086	0.5
121.05415	0.6
122.06148	4.9
124.07694	6.9
132.04572	11.0
132.08188	1.2
133.05171	0.3
134.06136	7.0
134.09772	3.2
136.07698	25.1
137.08066	0.6
146.06180	0.5
148.07726	2.3
150.05605	2.9
152.07193	4.3
153.84810	0.5
160.07745	0.7
165.04271	0.5
168.06889	2.2
176.03517	1.3
178.05112	4.9
182.08467	0.5
183.09296	3.4
196.36334	0.5
199.12398	2.0
204.06683	0.4
209.07222	0.4
210.08018	1.0
211.08759	1.0
212.10829	1.1
212.94882	0.4
213.10329	3.8
213.13979	0.9
214.12318	0.8
224.09599	3.1
225.10347	4.8
226.10898	0.7
227.08287	0.7
228.09023	0.7
239.08145	0.4
239.11894	6.2
240.12370	0.6
241.09785	1.4
241.13426	2.7
242.10457	1.9
249.10437	1.0
255.11371	4.2
257.12952	70.9
258.13287	6.0
267.11276	1.8
283.10910	1.5
285.12418	3.5
299.10419	1.7
299.13962	1.0
301.11993	1.5
311.10339	0.6
313.35092	0.4
327.10043	0.8
329.11398	4.1
364.16718	1.7
374.18784	0.6
390.18127	1.8
392.19907	4.5
402.18262	0.9
418.21924	2.3
436.18771	56.3
437.19077	8.9
462.20374	5.0
463.20746	0.9
467.21042	2.1
468.21249	0.5
492.93338	0.4
497.21725	0.7
509.21817	0.6
525.25201	1.4
551.22888	1.5
569.24097	29.2
570.24408	5.1
595.21967	2.5
596.22333	0.5
613.23181	100.0
614.23505	23.7
614.31470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40829	0.7
54.31024	0.7
59.01376	14.4
61.98828	4.8
70.91795	1.5
71.01386	3.0
78.95916	1.2
80.05067	3.9
83.01401	0.8
85.02953	1.4
87.00890	1.7
88.98827	0.8
89.02452	1.5
92.05071	3.7
94.06638	0.7
95.04984	0.7
96.96025	1.0
97.13017	0.6
98.02758	0.6
101.02474	1.8
104.05058	2.0
106.06638	13.1
108.04573	18.6
108.08205	0.8
110.06133	1.6
115.00323	1.0
116.05077	3.1
116.92859	1.8
118.06622	1.2
119.05044	1.0
120.04597	0.8
120.08130	0.7
121.02956	3.3
121.05334	1.2
122.06127	2.1
124.07696	8.6
129.50583	0.7
130.06618	1.2
132.04581	2.5
134.06145	5.8
136.07698	34.8
137.08051	1.8
139.04034	2.8
139.07603	0.8
142.06676	1.3
145.17229	0.7
146.06195	1.4
147.03342	0.7
148.04018	3.3
148.07658	0.6
150.05577	2.8
150.06847	1.8
152.07220	1.3
158.06094	2.3
160.04041	2.6
160.07706	6.0
161.04761	0.8
162.05605	0.8
163.07661	1.0
168.06683	1.3
174.05618	1.6
175.02556	1.5
176.42053	0.6
178.05104	11.5
186.05644	1.0
190.05157	0.8
194.34947	0.7
204.06567	1.2
209.07390	1.0
209.10855	1.6
210.07922	1.5
211.08820	1.9
211.12424	1.8
213.06711	0.8
213.13858	1.1
214.08737	0.9
214.12477	0.9
221.10878	0.9
222.07933	0.8
223.08783	2.0
223.12448	2.0
224.09532	2.6
225.10310	2.9
227.08298	1.1
227.11850	1.2
228.06516	0.8
228.08824	0.9
229.13348	1.5
233.10654	0.7
235.08755	2.8
235.12462	2.1
236.09610	3.4
236.16545	1.6
237.10344	13.7
238.10744	1.3
239.08264	1.0
239.11996	4.6
241.09818	5.1
242.10609	2.6
249.10301	7.8
250.10791	1.1
251.08211	3.0
251.11899	22.2
252.12181	2.1
253.09857	2.4
254.10535	2.9
254.17738	1.1
255.11391	12.8
256.11969	2.7
257.12952	100.0
258.13293	8.1
261.10291	3.2
262.07355	1.5
262.10815	0.7
263.08258	5.5
264.09018	23.4
265.09564	3.9
267.07907	0.9
267.11377	3.0
269.09299	1.5
269.12897	2.1
277.09818	5.8
278.10495	2.1
279.11380	82.5
280.11676	9.0
281.09302	2.9
281.12909	2.2
283.10831	1.1
285.12427	1.2
286.18118	1.1
295.10916	2.1
296.11566	0.9
297.12418	10.3
298.12646	0.9
299.10327	3.2
299.13657	0.8
301.11981	2.0
301.85962	0.8
302.17587	1.7
305.09222	2.2
307.11060	1.0
311.13965	1.3
323.10352	7.6
325.11932	1.8
341.11429	2.1
371.95044	0.7
374.18671	1.0
382.15622	0.9
390.18216	3.0
392.19733	2.6
402.18292	1.4
404.19934	0.9
436.18774	44.4
437.19070	7.1
444.19360	3.5
483.23914	1.9
495.23712	2.0
495.36658	3.0
496.24417	1.0
513.24976	1.8
519.23907	2.7
520.21045	1.2
521.21729	1.4
522.22754	0.8
535.23804	0.8
539.22864	7.0
540.23267	2.1
545.21948	0.8
557.24390	1.4
563.23016	45.2
564.23389	9.1
579.22174	1.0
581.24115	88.8
582.24420	19.4
582.33740	0.8
583.34125	2.2
595.25806	8.9
595.34460	1.4
596.25537	1.2
607.21863	13.2
608.22333	3.2
613.24774	1.9
613.35242	1.4
625.23163	46.5
626.23517	11.3
639.24878	4.9
640.24896	0.9
657.25720	65.8
657.35968	3.5
658.26282	16.5
688.30994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14222	0.3
59.01379	3.8
61.98830	100.0
68.63647	0.3
69.43357	0.3
71.01438	3.0
71.01793	0.6
72.99313	0.4
73.02965	0.9
74.02511	0.4
74.99133	0.3
75.00877	0.4
76.37742	0.3
78.58044	0.4
78.95901	0.4
83.01414	0.5
87.00903	0.8
88.98837	0.6
89.02459	1.2
93.03525	0.3
96.00990	0.5
99.00880	0.4
99.04559	0.4
101.02455	1.0
103.04007	0.4
107.01423	0.6
109.03051	0.4
109.06643	0.3
109.07548	0.3
113.02491	0.6
115.00424	1.6
115.32080	0.3
119.03542	0.5
119.05031	0.7
120.01294	0.9
123.65900	0.3
125.02393	0.3
127.05185	0.4
128.03566	1.3
130.08725	0.4
132.02260	0.5
133.01433	2.1
134.40616	0.3
135.00902	0.3
135.04572	0.8
138.05620	0.4
146.04662	0.5
151.00394	1.6
154.99884	0.4
163.04050	0.5
165.02034	0.4
175.02507	0.8
178.99802	0.8
211.04051	0.7
227.03496	19.0
228.03819	1.4
229.05110	0.7
255.02965	36.2
256.03525	4.7
257.04504	1.0
283.02563	0.6
284.03250	63.2
285.03842	11.6
286.04367	0.5
306.07785	0.5
327.04962	0.5
593.15125	69.3
594.15460	12.3
655.38391	0.7
656.21204	0.4
656.36780	1.2
657.35181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18916	0.3
59.01376	0.4
61.98831	22.3
65.00329	0.4
83.01383	0.3
93.03478	0.8
96.62753	0.3
107.01391	1.2
108.02193	0.3
109.02943	0.6
110.23974	0.3
132.02240	0.4
135.00916	0.5
143.05045	0.5
147.61638	0.3
151.00383	2.1
153.01929	0.5
159.04526	0.6
163.00407	1.8
164.01213	0.3
165.89313	0.3
169.01436	0.3
169.06573	1.1
171.04546	0.3
183.04391	0.4
185.06096	0.9
187.04013	1.4
189.05524	0.7
195.04575	0.5
197.06099	0.4
199.04036	0.7
211.04053	1.3
213.05562	1.4
223.04245	0.3
227.03502	19.9
228.03922	1.3
229.05046	8.0
230.05338	0.7
230.76871	0.3
239.03430	1.5
240.04176	0.9
241.05092	1.1
255.02979	37.0
256.03513	5.2
257.04538	4.7
258.04889	0.7
267.02982	0.8
269.04364	0.3
283.02524	0.5
284.03253	53.6
285.04019	70.1
286.04398	5.8
327.05096	0.8
338.34589	0.3
346.49823	0.3
540.60181	0.3
542.63293	0.3
593.15118	100.0
594.15448	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	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01745	1.2
61.98825	2.1
71.01398	2.1
71.73625	1.3
77.00542	0.7
83.01430	0.9
89.02473	2.2
95.67369	0.7
96.99345	1.9
97.02981	2.6
101.02464	1.2
103.92097	0.7
113.02510	0.8
115.24252	0.6
136.83652	0.6
141.01726	71.2
142.02087	1.6
142.05148	1.9
158.89394	0.7
159.89468	1.1
255.23422	3.1
256.23758	2.0
257.24237	0.8
259.21112	0.8
275.06479	1.3
277.21826	2.9
314.80811	0.7
338.82431	0.7
339.00250	3.3
359.22198	1.4
383.02151	0.8
391.20151	0.9
397.13715	1.5
398.13980	2.6
399.14313	2.4
416.14987	1.2
417.15353	1.1
522.75366	0.8
535.28052	1.3
536.28284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11734	0.3
54.10493	0.3
57.03429	0.5
58.02977	0.8
59.01081	0.6
59.01375	8.9
59.19560	0.3
59.40000	0.3
60.99289	0.6
61.98837	3.8
66.03484	0.4
69.43803	1.5
69.44235	1.7
71.01384	3.8
72.99308	0.7
73.02941	1.4
73.35483	0.3
74.02480	10.8
78.95909	1.1
80.05059	0.6
82.02989	0.5
82.06617	0.9
83.01382	0.6
83.05014	0.7
85.02958	1.4
87.00884	0.8
89.02468	1.6
93.03474	2.3
96.96019	1.0
97.06584	0.6
99.92597	0.4
100.07709	0.4
101.02431	2.1
106.04219	0.5
106.06615	0.4
108.02147	0.5
109.04079	0.7
109.06599	0.5
110.02514	0.3
112.02805	0.7
112.07726	0.6
113.02460	1.0
113.07279	0.3
115.00371	1.0
116.92871	1.4
117.36381	0.3
119.05045	24.2
120.01279	0.5
120.05379	1.1
120.83868	0.3
121.02971	100.0
122.03294	2.9
123.08157	0.4
125.03535	0.5
126.09266	1.2
127.05158	5.8
128.03545	4.3
129.10359	10.9
130.08742	5.5
130.10677	0.5
133.01448	1.4
135.04533	0.8
136.11348	0.4
139.08804	1.4
140.07201	2.6
143.11928	6.9
145.06592	0.6
149.04521	0.5
151.08792	0.5
153.09280	0.4
153.10353	1.8
155.08279	1.0
161.04628	0.4
163.04024	5.3
164.14517	0.4
165.05482	1.0
168.10225	0.5
168.11522	0.4
169.09808	2.7
169.13524	0.6
169.42973	0.3
171.00656	0.4
171.08189	0.8
171.11502	0.3
174.01711	0.4
175.02539	0.6
179.05585	0.4
179.11929	4.9
180.10249	3.2
187.10953	2.1
188.19896	0.3
193.68010	0.3
195.11421	1.1
195.15224	0.5
196.14568	1.2
197.12956	0.6
197.16631	1.3
199.18217	0.4
200.14078	0.3
207.15013	0.6
208.13429	0.7
209.15485	0.6
211.06073	0.5
214.15593	0.8
221.16676	1.2
222.12482	15.2
223.10930	1.9
223.12843	0.8
225.16110	2.4
226.16185	0.3
227.14314	1.4
234.15111	1.3
234.18788	0.5
235.17079	0.6
236.16548	13.6
237.14993	1.8
237.16998	0.7
240.13516	9.0
241.11903	0.6
241.13988	0.5
242.18745	0.7
243.17250	0.4
250.18124	2.1
252.19658	8.2
253.20068	0.8
254.08284	0.3
254.15202	0.6
254.17609	3.3
256.20297	6.9
257.20813	0.3
258.14630	1.0
263.16568	1.1
270.20877	0.6
273.15225	0.4
278.17691	2.5
280.19281	0.5
281.19882	1.0
287.16534	0.8
292.20392	0.7
294.25574	0.4
296.18704	2.8
300.19110	0.6
301.18112	0.5
308.19855	0.5
309.22977	2.0
335.20981	2.4
338.21204	1.0
339.19852	0.6
353.21960	1.4
356.22299	5.6
356.26529	0.4
357.22638	1.1
367.23373	0.7
369.28647	3.2
371.22900	1.5
379.26862	0.4
405.28885	0.8
413.27847	1.5
416.32288	0.4
473.34125	0.5
477.50598	0.4
480.31796	1.9
489.36914	0.6
517.36603	1.0
524.31110	1.0
533.35956	15.2
534.36377	3.1
575.39465	0.4
580.37555	0.9
593.15399	0.4
593.39648	10.2
594.39911	2.9
616.37555	0.3
619.38818	1.5
637.39496	6.8
638.39990	1.2
655.40686	82.1
656.41010	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	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.8
61.98832	1.9
66.99934	0.6
71.29474	1.0
71.29836	1.3
71.61860	0.7
88.44270	0.6
96.99381	0.9
97.02997	0.9
105.29569	0.6
116.04052	0.6
132.72818	0.7
141.01720	68.9
142.02092	1.8
142.05147	1.9
159.89441	1.2
171.94714	1.4
181.47032	0.6
199.37515	0.6
275.06396	0.8
277.21878	1.8
331.50943	0.6
339.00293	1.4
359.21942	1.4
391.19638	0.7
423.23279	0.7
535.27991	1.4
595.29224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11546	0.3
61.98833	100.0
70.18021	0.6
70.18437	0.8
82.90257	0.3
95.99984	0.3
138.91220	0.3
166.75093	0.3
181.65234	0.3
203.84016	0.3
217.47623	0.3
351.78812	0.3
371.01328	0.3
425.62949	0.3
439.01688	0.3
656.12921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.7
61.12733	0.2
61.98827	0.7
69.68443	0.7
69.68858	1.3
71.01384	3.7
72.99334	0.3
73.02953	4.5
75.00887	0.3
81.03512	0.3
83.01400	1.0
85.02975	0.7
87.00888	0.3
89.02446	1.0
95.01380	0.5
97.02948	0.2
101.02466	2.7
109.02970	0.5
113.02489	1.3
114.89406	0.3
115.00394	1.0
116.92881	0.9
119.03548	0.4
119.05038	0.4
120.01237	0.4
123.00906	2.8
124.04051	0.3
125.02451	0.8
133.01454	1.2
133.03033	0.2
134.03752	1.0
135.00923	0.5
135.04543	0.5
137.02403	1.2
139.00435	0.3
149.04567	0.8
149.05975	0.4
150.03250	0.4
151.00374	1.8
152.01172	0.4
152.04825	1.8
153.01974	2.6
161.04578	1.0
162.03239	4.9
163.00397	0.4
163.04013	1.5
167.03499	0.5
175.02617	0.4
177.05588	3.4
178.02716	0.6
179.03470	0.4
181.01448	37.9
182.01837	2.2
184.03761	0.6
193.05138	1.5
195.03015	1.0
196.03784	57.3
197.04131	3.4
211.06131	100.0
212.06465	6.0
253.07088	0.4
299.10324	0.7
375.11795	0.3
415.12366	0.8
432.35287	0.3
462.08792	0.4
655.26215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21693	0.5
59.01388	6.4
61.98828	2.4
70.91849	1.6
71.01395	1.8
73.02954	0.6
74.02282	0.5
80.05064	3.2
94.06624	0.5
96.96023	2.7
99.00921	0.6
101.02459	1.5
104.05116	0.8
106.06641	15.7
108.04568	21.2
113.02449	0.8
121.05421	0.9
122.06095	0.7
124.07703	5.7
130.06633	0.8
132.04570	4.7
134.06155	3.9
136.07701	22.5
137.08028	0.9
139.04083	0.8
146.06136	0.9
148.04128	0.9
150.05621	2.5
150.06808	1.1
152.07201	1.1
158.06128	2.2
160.04077	8.7
160.07716	2.0
161.04675	0.8
168.06693	1.1
173.11604	0.5
174.01677	0.9
174.05603	2.6
176.03566	1.1
178.05110	2.9
179.10742	0.8
186.01985	0.6
187.06419	0.6
188.03519	3.4
189.04381	4.7
202.05116	8.9
204.02966	0.9
209.07190	0.6
210.07932	0.9
211.08745	1.4
213.13826	0.5
214.12473	0.7
218.04642	4.1
223.08815	1.2
223.12543	0.5
224.09521	2.0
225.10388	2.8
226.07532	0.8
227.08331	0.7
227.11879	1.6
228.08955	0.7
234.08002	1.5
235.08801	1.0
237.06618	0.8
237.10306	0.7
238.07426	1.1
239.08208	3.3
239.11922	2.2
241.09831	2.1
249.06490	0.6
249.10335	4.9
250.07671	0.8
250.10678	0.7
251.08206	5.3
251.11935	3.6
252.09026	20.1
253.09799	14.2
254.10204	1.2
255.11383	3.4
257.12961	52.6
258.13248	4.0
262.07422	1.7
263.08170	1.7
265.06293	1.3
265.09811	5.3
266.08279	1.1
266.10529	2.1
267.08224	1.0
267.11380	16.3
268.11813	1.5
275.08020	0.6
276.08905	1.5
277.09814	12.7
278.07053	2.5
278.10208	1.3
279.07727	10.7
280.08279	3.7
281.12823	0.9
292.08603	0.5
293.09274	9.4
294.10062	3.7
295.10892	74.6
296.11203	6.8
299.10464	0.7
301.12012	1.4
311.10345	0.6
321.08813	30.1
322.09308	2.4
325.11902	1.4
339.09842	14.7
340.10202	1.4
353.11414	0.7
364.16614	1.1
390.18274	4.5
392.19775	2.3
407.79681	0.5
436.18784	32.5
437.19058	5.7
444.19318	1.9
493.35269	2.5
499.60892	0.5
511.23264	1.7
517.22534	1.9
535.23126	0.6
537.21405	1.1
561.21826	0.7
562.21600	0.7
565.23364	0.5
579.22559	79.1
580.22845	14.6
605.20599	4.5
606.21075	0.7
623.21619	100.0
624.11639	0.8
624.21930	18.2
655.24200	43.1
656.24438	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	653.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45870	0.3
52.50910	0.3
55.01887	1.5
57.03449	0.9
58.00603	1.8
59.01381	37.0
60.01712	0.4
60.07069	0.3
61.98833	0.8
68.99824	0.3
69.03463	2.8
69.43764	0.3
71.01388	37.0
71.72354	0.3
72.01715	0.5
72.99310	3.2
73.02950	6.4
75.00871	0.7
81.03452	1.7
83.01398	4.9
85.02960	6.9
86.00096	0.6
86.03291	0.4
87.00885	8.4
87.04553	0.3
89.02454	31.8
90.02810	0.7
91.04027	0.5
93.03455	0.9
95.01406	2.3
95.05029	0.5
95.53242	0.3
97.02956	6.6
99.00881	2.2
99.04498	0.5
99.92635	0.4
101.02457	32.5
102.02797	0.7
103.00340	0.4
103.04048	0.4
109.02971	0.6
111.00896	0.6
111.04525	1.3
112.01719	0.4
113.02467	14.2
114.02798	0.5
115.04047	0.9
119.03526	9.3
121.02998	0.4
121.45661	0.3
123.00910	0.5
125.02464	13.6
126.02801	0.4
127.04037	0.4
129.01993	0.3
131.03526	1.9
133.05078	1.2
135.04489	0.4
139.04021	1.1
141.01904	0.5
143.03522	6.6
149.02483	0.6
149.04552	0.9
161.04573	6.9
162.04927	0.4
167.03548	0.8
169.05099	0.9
179.05624	6.1
180.05983	0.5
185.04570	0.8
199.06161	0.7
203.05623	0.3
204.78969	0.3
217.07169	0.8
219.05183	0.5
221.06671	1.8
235.08238	13.4
236.08585	0.8
245.06664	0.6
253.09265	3.6
255.23294	100.0
256.23651	8.7
263.07605	1.6
269.24777	0.6
277.09308	1.0
287.07718	3.0
288.08133	0.4
305.08807	4.7
306.09061	0.3
323.09744	2.1
379.12503	1.0
397.13531	96.0
398.13892	8.5
415.14584	34.3
416.14926	3.5
632.14343	0.3
653.37848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03449	1.2
58.00592	2.2
59.01380	35.5
60.01712	0.2
60.13830	0.2
61.98824	0.2
67.01888	0.2
67.29662	0.2
68.99812	0.6
69.03455	2.2
70.87675	0.5
71.01385	36.1
71.21462	0.2
72.01717	0.6
72.99312	3.6
72.99722	0.3
73.02539	0.3
73.02951	6.1
75.00857	0.9
81.03457	1.4
83.01393	4.4
83.04996	0.3
85.02962	7.2
86.00095	0.4
86.03311	0.2
87.00882	8.1
87.04559	0.3
89.02452	30.2
90.02795	0.5
91.04011	0.7
93.03468	0.5
95.01397	2.4
95.05050	0.2
97.02964	6.1
98.03294	0.2
99.00883	2.1
99.04550	0.4
101.02454	28.8
102.02808	0.6
103.00367	0.3
103.04037	0.4
107.90050	0.2
109.02988	0.6
111.00903	0.8
111.04514	0.9
112.01673	0.2
113.02463	14.0
115.04034	0.8
119.03516	9.1
121.02981	0.8
123.00858	0.3
123.04516	0.3
124.01676	0.4
125.02465	11.6
125.15916	0.2
126.02832	0.4
127.04019	0.6
129.01962	0.2
131.03534	1.4
133.05096	1.3
136.22054	0.2
137.02501	0.3
139.04018	1.0
141.01933	0.7
143.03514	6.0
149.02377	0.2
149.04578	1.0
149.07062	0.2
152.99663	0.2
157.05125	0.2
157.76414	0.2
161.04576	6.2
167.03487	0.7
169.05089	0.5
171.03015	0.3
179.05634	6.0
185.04549	0.6
199.06085	0.7
203.05614	0.5
217.07243	1.0
219.05150	0.5
221.06671	2.1
223.50128	0.2
233.06807	0.2
235.08224	13.2
236.08560	0.6
245.06644	0.8
253.09264	3.4
255.23282	100.0
256.23618	8.2
263.07675	1.6
269.24811	0.5
277.09198	1.0
287.07697	3.5
288.07938	0.2
305.08780	4.9
306.09183	0.3
323.09814	1.9
361.11420	0.7
379.12418	0.7
397.13522	90.2
398.13858	8.5
415.14572	32.3
416.14920	3.3
653.37567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.73021	1.0
57.03450	1.5
59.01379	100.0
60.01722	1.6
61.98824	4.2
65.41690	1.2
65.69254	1.2
66.17112	1.1
68.66959	1.1
69.03463	1.9
69.53455	1.1
71.00986	2.4
71.01385	49.0
71.73950	1.9
72.99313	2.1
73.02955	50.2
74.16399	1.0
75.00883	3.3
83.01394	17.0
85.02955	7.1
85.09614	1.1
87.00895	2.8
89.02460	12.2
94.82279	1.3
96.95984	1.1
97.02961	1.1
99.00915	1.8
101.02455	49.7
102.83949	1.1
108.02229	1.7
111.00893	1.2
113.02463	20.8
115.00401	4.0
116.92895	1.5
117.03489	2.1
119.03524	6.2
119.04996	1.4
120.01262	2.4
123.04565	2.4
125.02461	2.9
131.03516	4.6
133.01471	6.0
134.03720	1.2
135.03087	1.2
135.04561	4.9
143.03532	7.3
145.02971	4.8
147.04506	1.9
149.04550	10.2
150.03221	2.2
151.04010	2.6
161.02470	21.4
161.04549	15.5
161.05881	1.9
162.03244	31.1
163.03836	1.8
165.05550	2.1
175.02498	1.2
176.04828	8.5
177.05583	24.2
179.03510	28.2
179.05254	1.5
179.05737	1.4
180.04018	3.3
191.07123	3.7
194.05850	25.2
195.06602	3.2
202.42657	1.1
207.10263	1.6
209.02966	1.4
209.08197	37.7
210.08548	2.4
219.06583	2.1
221.06667	4.7
225.11374	1.1
243.12297	1.9
339.10934	2.2
357.12064	1.7
399.12961	1.1
469.40628	1.4
537.13599	2.0
542.17383	1.3
608.33411	2.0
609.23962	3.6
609.32758	5.4
653.31134	2.3
655.90875	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	651.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74202	0.7
56.01147	0.6
57.03428	1.8
59.01377	17.7
61.98830	13.5
69.59812	5.6
71.01383	13.0
73.02958	6.1
75.00864	3.1
76.57918	0.6
78.95903	1.1
80.05031	1.2
83.01388	2.3
83.05038	0.9
85.02951	3.2
87.00855	1.9
89.02430	3.1
95.05023	0.7
96.96024	0.9
96.96968	0.8
97.02955	0.8
99.00880	1.7
101.02448	4.5
104.23205	0.6
104.52126	0.6
108.04553	0.8
109.02944	1.0
111.00889	0.9
113.02480	3.6
115.00386	4.3
116.05092	0.9
116.92847	2.1
119.03618	1.2
119.05018	1.0
120.01219	1.1
122.06129	5.9
124.07716	1.2
128.03574	1.5
129.01973	4.3
130.03003	1.3
132.04575	10.3
133.01471	4.4
133.03008	1.2
134.03735	1.5
135.04504	3.1
138.03229	1.4
146.02513	1.0
146.06134	1.6
147.03270	3.3
148.03987	1.0
150.05617	2.8
157.05348	0.8
158.02484	4.8
160.04051	7.2
161.04573	2.4
162.05580	2.1
174.05611	1.4
175.02522	1.9
175.04015	1.3
176.03563	6.5
176.07149	3.0
177.03992	2.4
178.02776	0.8
179.03447	2.1
179.05641	1.6
184.07655	1.7
190.05116	17.5
191.01987	0.8
191.05611	1.7
192.06609	2.5
193.05008	2.2
196.11273	1.2
198.04350	2.8
199.08627	0.8
202.05173	0.8
209.07211	0.7
210.05824	0.7
210.07736	1.0
211.04866	0.9
211.08794	2.2
211.12383	3.3
212.05824	2.5
212.07510	1.0
212.10820	1.4
213.06750	1.7
215.11876	2.7
219.02913	1.1
220.02499	1.9
221.06784	1.3
223.04849	1.1
223.08818	2.3
224.09514	7.8
225.06506	2.1
225.09933	1.2
226.07457	3.0
227.08282	5.3
234.04070	2.0
235.04948	1.8
237.04286	0.8
237.10310	1.4
238.08665	2.2
239.04616	1.4
239.08217	3.2
239.11885	18.2
240.10475	5.4
240.12373	1.3
241.09802	8.3
242.10315	0.7
249.06735	0.9
250.07390	2.7
250.18121	0.8
252.05360	2.1
253.06174	16.0
253.09818	3.4
254.03287	2.4
254.06679	2.4
255.07823	5.4
255.11388	4.6
256.08133	0.9
259.10577	0.8
265.09869	4.5
266.08072	2.1
267.07751	12.0
268.08472	11.3
269.08890	1.3
281.09311	12.1
282.09827	1.3
283.10876	69.9
284.11234	7.4
285.08640	1.0
287.10382	4.2
294.06250	1.8
298.10809	0.9
299.10379	2.0
309.08807	33.6
310.09039	4.9
315.13504	1.2
327.09854	33.9
328.10101	4.7
341.11392	12.0
342.11609	1.4
353.07477	3.4
359.12344	2.6
369.10999	1.2
369.19290	0.9
371.08841	31.5
372.09094	3.0
373.09354	4.0
385.10425	13.5
386.10660	1.7
403.11420	100.0
404.06827	1.0
404.11829	11.2
445.12460	2.4
531.16101	4.4
532.16187	0.9
534.36188	0.9
535.36694	0.9
565.16919	3.2
575.15222	23.9
576.15448	4.6
607.17767	94.8
607.32214	7.6
608.18103	19.4
650.39294	0.9
651.39191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09132	0.6
54.02260	0.7
55.01806	0.9
58.00515	0.9
59.01272	10.7
59.01607	3.3
61.98752	1.3
65.99768	1.0
66.30871	0.5
69.42735	3.2
69.43165	3.7
71.01266	8.8
71.01698	1.8
72.99222	1.0
73.02865	1.3
75.00768	0.8
83.01292	1.3
83.04936	1.1
85.02865	1.0
87.00802	1.3
89.02354	1.4
92.04956	1.4
93.03340	0.8
94.06489	2.6
95.04932	1.3
96.95941	1.5
97.06503	1.6
101.02375	1.7
103.16656	0.6
109.06483	1.1
111.00777	1.2
111.04424	1.3
111.07996	0.9
113.02356	1.1
113.03477	0.9
115.00229	6.3
119.04897	4.0
121.02880	0.8
122.05987	1.1
123.08044	1.5
125.05988	1.0
125.09572	4.4
127.05010	0.9
133.01265	4.5
134.03584	8.4
134.05966	1.2
135.02933	0.9
135.08055	0.6
136.03896	1.3
144.08058	1.6
145.05164	3.4
145.06207	1.3
146.06120	5.8
148.07564	0.9
149.02362	1.4
149.06100	3.2
150.09108	0.9
153.09062	1.0
154.99788	1.5
158.06078	0.7
161.09610	0.8
163.03825	2.9
164.04642	1.2
166.08563	0.8
168.10097	2.3
170.11751	1.1
171.10086	3.0
174.01482	0.8
175.02298	2.2
175.06129	0.8
175.07550	0.7
176.06990	0.9
177.09264	4.1
177.12688	0.7
179.07005	1.0
185.11691	1.5
187.09619	1.3
191.10692	1.6
192.17516	1.3
193.01247	1.2
193.05090	5.3
208.03738	3.5
212.14267	2.5
216.13914	0.9
218.15521	3.6
221.11531	0.7
223.06111	10.8
223.13300	1.0
226.15849	0.9
227.03346	1.7
228.13831	1.6
230.15495	9.3
231.13635	1.9
232.16902	1.6
234.14848	2.3
234.18269	0.8
236.16577	14.1
237.11201	1.3
237.16766	1.3
238.18134	18.0
239.10739	0.9
239.18384	0.8
246.14859	2.2
248.16324	2.8
248.18571	0.8
255.02962	3.1
256.13522	10.9
256.19180	59.3
257.13663	0.8
257.19510	5.4
258.14774	2.2
264.15982	3.5
270.14740	1.2
272.12805	1.4
272.16147	0.9
274.14511	41.1
274.17740	3.4
275.14954	4.2
275.17429	0.9
276.16077	5.7
278.17682	5.2
283.09833	3.7
284.03275	4.1
285.03668	1.2
286.14386	1.8
288.16019	1.1
292.15558	34.8
293.16000	3.2
300.16086	0.8
302.13919	1.0
304.15244	1.9
304.19098	0.8
318.16867	1.3
332.14908	1.6
337.06888	0.8
383.11469	1.8
385.14877	1.3
401.16043	2.4
417.12106	4.1
475.35309	1.2
485.33951	2.0
495.32233	2.8
497.33682	1.5
509.34003	0.9
513.33167	12.8
514.33624	2.5
515.34851	1.1
517.36566	8.9
518.36646	1.7
527.35028	1.0
529.31940	0.7
531.34357	100.0
532.34717	20.5
533.35699	0.7
541.32928	1.0
542.33960	0.8
543.34375	7.8
544.34509	1.3
551.34821	2.3
553.32440	3.6
557.36078	8.0
558.36249	1.5
559.33679	1.2
561.35516	1.8
571.34100	2.7
583.33911	1.3
587.37421	1.9
595.34033	1.2
605.31787	3.2
606.31873	1.2
613.35260	1.3
621.37708	67.1
622.37994	11.4
631.36237	6.8
632.36768	2.4
649.37335	47.3
650.37738	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	649.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28438	0.2
58.80803	0.2
59.01375	0.6
60.24332	0.2
63.71027	0.2
69.62309	0.2
71.01381	9.7
71.73083	0.3
72.98912	0.3
72.99295	2.0
85.02962	0.8
87.00922	0.3
89.02453	1.4
104.36522	0.2
107.05052	0.5
115.00383	28.7
116.00728	0.7
117.03445	0.2
119.05038	0.2
128.64104	0.2
131.88657	0.2
133.01445	100.0
134.01796	2.5
134.03761	2.0
135.04535	21.3
136.04890	1.2
137.02486	0.2
143.05093	0.2
147.05678	0.2
154.10796	0.3
163.04019	0.5
177.01950	0.6
179.03513	25.6
180.03879	1.6
191.01926	0.5
191.05539	0.2
216.99043	0.2
295.04578	4.9
296.04819	0.4
297.80255	0.2
311.91010	0.2
353.09775	0.8
431.72400	0.2
500.78955	0.2
631.81024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01378	0.7
70.47620	0.8
71.01388	12.3
72.99334	0.4
82.12091	0.2
85.02940	1.3
87.00897	0.3
89.02457	0.4
93.03493	0.6
96.96031	0.6
101.02415	0.3
111.00865	0.3
114.93399	0.2
115.00394	11.2
116.00739	0.3
116.92894	0.2
118.89539	0.2
119.05045	40.6
119.66523	0.2
120.05389	1.8
129.01971	0.3
133.01453	23.1
134.01784	0.5
134.03725	0.9
135.04530	0.7
148.90028	0.2
149.02480	0.2
163.04030	100.0
164.04366	4.8
175.02512	0.4
179.03496	0.3
193.05136	1.5
194.57733	0.2
205.03539	0.7
223.04248	0.9
223.06267	0.6
238.56767	0.2
279.05103	7.4
280.05453	0.8
306.07266	0.2
306.28122	0.2
327.08759	0.9
369.17883	0.3
417.11789	1.5
451.24454	0.2
533.12988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.43898	0.3
61.99666	0.3
67.96810	0.2
69.95644	1.8
71.01389	9.8
72.01726	0.3
72.99325	1.8
73.80019	0.3
85.02960	1.1
87.00886	0.5
87.88834	0.3
89.02453	1.2
96.96061	0.4
101.02489	0.4
105.75414	0.3
111.00829	0.3
115.00390	27.9
116.00730	0.9
117.03467	0.3
119.05093	0.3
133.01453	100.0
134.01807	2.9
134.03796	1.5
135.04549	22.2
136.04898	0.8
175.02594	0.4
179.03516	24.9
180.03896	1.5
191.01933	0.9
193.77718	0.3
223.04543	0.3
248.48531	0.3
262.24771	0.3
269.38589	0.3
278.81915	0.3
295.04587	5.8
296.04999	0.7
327.08624	0.6
350.15518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08654	0.2
53.98043	0.3
59.01377	12.7
60.01726	0.3
61.98816	0.5
70.89135	0.2
71.31599	0.5
71.66000	0.2
75.08527	0.2
78.95907	6.3
85.74842	0.3
87.07771	0.2
112.48521	0.3
152.99599	1.6
168.04309	1.4
224.06868	1.2
241.43355	0.2
242.08020	2.7
349.27481	100.0
350.27805	12.6
481.25510	0.4
490.96082	0.3
514.33002	0.2
552.81970	0.3
574.35187	37.8
575.35571	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	647.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14212	1.5
55.01865	3.5
55.39408	1.3
57.03457	2.4
58.00602	2.7
58.33340	1.6
59.01379	51.1
60.99311	2.1
61.98832	16.0
68.66714	1.5
69.43694	3.7
69.44115	11.8
71.01387	38.2
72.99313	48.2
73.02945	7.9
74.02486	1.5
75.00880	4.4
78.95918	1.8
82.03059	1.4
83.01403	5.2
85.02969	7.0
87.00891	28.8
88.98838	6.7
89.02449	17.9
95.05037	2.8
96.96039	4.7
97.03025	1.4
97.06638	1.6
98.19836	2.5
99.00890	27.2
99.92612	1.5
101.02452	11.0
103.17711	1.4
105.01968	1.6
106.06656	3.2
107.03799	2.5
108.04572	2.8
109.06570	1.6
111.00938	2.8
111.08184	1.7
112.98816	12.6
113.02459	6.5
113.99612	2.4
115.00387	100.0
115.92061	1.6
116.00736	2.2
116.92883	2.9
117.01955	59.4
119.03490	2.2
120.04587	1.6
120.06736	1.4
121.05347	2.7
121.95668	1.5
122.06132	49.4
124.07666	1.5
125.02433	1.8
125.06089	1.4
127.00393	2.0
129.01952	4.2
131.03522	2.2
133.01486	2.2
134.06161	9.8
135.03033	6.4
135.06938	3.3
136.07715	3.2
142.99857	2.2
143.03525	1.8
144.08194	1.4
145.01447	12.2
145.05339	1.8
147.02991	1.6
149.04765	16.0
150.05623	4.5
152.07233	2.2
154.99904	1.7
161.04591	3.5
162.05605	9.1
164.03531	3.6
164.07182	5.0
166.05110	2.7
167.05908	2.5
168.10304	5.0
171.19563	1.3
173.00940	6.1
174.01721	34.0
175.02487	59.9
176.02870	3.2
177.09181	1.6
188.07288	3.9
190.16090	1.9
192.17628	2.1
205.86032	1.8
211.08711	1.9
218.15475	4.3
222.15044	1.9
226.15981	2.1
230.15601	2.6
232.17174	1.8
234.14961	15.3
236.16565	72.8
237.16919	4.1
241.09654	2.6
242.15306	1.6
243.11378	10.6
243.13472	1.4
244.06075	2.0
246.14970	4.2
248.16559	42.9
249.16949	2.3
250.18143	7.9
252.09045	3.8
253.09709	1.9
254.17613	27.3
255.11435	4.9
255.17871	3.4
256.13376	2.2
257.12927	6.0
258.14972	2.8
260.16568	9.9
264.16016	13.3
267.11386	13.4
268.11502	1.6
270.10165	2.4
270.14911	12.0
274.14435	4.9
274.17911	1.6
276.16022	5.1
278.17584	11.6
281.09470	1.9
283.10861	2.7
285.12421	66.1
286.12811	6.5
288.16077	11.1
292.15512	5.1
294.17142	3.5
295.10867	1.9
296.11392	1.6
299.14041	12.5
303.13553	21.0
304.13708	2.4
306.17151	11.3
309.28311	1.4
329.11423	1.6
343.12936	2.9
399.24026	2.2
473.33493	5.2
485.23941	4.4
487.35373	8.0
497.34207	2.6
501.33133	15.7
502.33475	2.0
515.34998	15.1
516.35229	3.4
525.33374	2.2
529.32843	34.5
530.33063	6.0
531.34412	11.4
543.27454	2.3
543.34491	28.9
544.27197	1.9
544.34747	6.6
547.33795	20.5
548.34253	3.5
555.34515	4.2
569.32367	4.4
573.35425	2.0
585.26953	3.5
585.35699	6.6
587.25494	2.8
587.33411	45.1
587.42462	2.9
588.33447	7.8
597.23462	1.9
603.30957	2.7
611.33411	3.9
619.36029	1.9
629.26410	14.0
647.25238	2.0
647.36566	10.4
648.34875	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	647.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95386	0.4
57.03448	0.9
58.00623	0.6
59.01384	6.8
61.98840	2.4
65.99850	0.8
67.13515	0.4
71.01380	3.9
71.73452	0.8
72.99297	0.9
83.01377	0.8
83.05034	1.1
85.02934	1.2
87.00903	0.9
89.02470	0.6
92.05080	0.5
94.06638	2.6
95.05058	1.5
97.06619	1.4
101.02462	1.1
106.06662	1.0
106.33268	0.5
108.04578	0.7
108.08234	0.5
109.06626	0.8
109.44475	0.5
111.04574	0.5
113.02464	0.9
115.00399	1.2
121.06631	0.8
122.02448	0.7
122.06127	2.5
123.04546	0.7
123.08195	1.0
124.05309	0.6
125.06142	0.8
125.09754	5.4
127.05182	0.6
133.01492	1.1
133.06668	0.4
134.06134	1.2
135.03102	0.7
136.04080	0.7
139.07684	0.5
143.10760	0.9
144.08221	1.8
145.05394	3.2
146.06137	6.5
148.04095	0.5
148.07692	1.4
149.08401	0.7
150.05667	0.7
150.09271	0.9
158.06088	0.6
159.06927	0.5
160.04060	0.5
160.07629	0.8
161.04701	0.6
162.05608	0.9
162.09265	0.5
164.07188	0.7
165.12823	0.6
168.10321	3.3
171.10242	2.8
172.07770	0.6
173.04797	0.7
173.08450	0.8
175.02509	1.0
175.06462	0.7
175.11305	1.2
176.10791	1.2
177.09189	2.6
185.11868	0.8
187.09818	0.9
189.12965	0.8
190.16064	0.9
191.10733	1.0
192.17583	1.2
202.15947	0.5
203.14384	0.7
212.14514	2.1
214.12396	1.3
218.15448	3.0
220.17047	1.2
226.15968	0.8
228.13960	2.0
230.15514	9.4
231.13983	2.3
231.15852	0.5
232.17055	1.0
234.14958	3.2
236.16557	31.7
237.11517	0.8
237.16934	2.8
238.12480	0.8
238.18298	0.6
242.15492	0.9
246.15050	2.4
248.16519	3.6
254.17616	35.2
255.17828	2.5
256.13409	13.4
257.13818	0.6
258.14954	1.8
262.14563	0.8
264.16071	3.1
270.14996	1.9
272.13031	1.1
272.16309	0.8
274.14499	41.7
274.17978	4.2
275.14871	2.9
275.17712	0.5
276.15970	5.0
278.17545	3.1
285.12494	2.0
286.14624	1.6
288.16086	1.3
290.14175	0.8
292.15540	38.2
293.15811	3.5
294.17343	0.7
300.15994	0.9
304.15536	1.6
310.16837	0.9
312.16220	1.3
314.14148	1.2
318.17068	0.6
332.15112	1.6
356.15359	0.6
480.47983	0.5
483.31808	1.0
487.35541	0.6
493.30713	2.2
495.32413	1.7
498.10028	0.5
507.32013	0.7
511.31656	10.5
512.31970	1.8
513.33081	1.1
515.34851	6.0
516.35400	0.9
525.33594	0.8
529.32800	100.0
530.33093	16.9
537.32886	1.3
539.31299	0.8
541.32715	8.9
542.33105	1.5
549.33441	2.3
551.30939	4.2
552.31055	0.6
553.33014	0.6
555.34454	7.3
556.34564	1.4
557.32275	2.3
559.33777	2.5
560.34662	0.6
563.31232	0.6
567.34668	1.1
569.32343	4.0
570.32660	0.7
581.32367	2.5
585.35516	1.4
593.32379	1.1
611.33398	1.5
619.36121	57.1
620.36481	13.6
629.24951	0.8
629.34601	6.4
630.35028	1.7
647.27740	1.0
647.35620	25.1
648.35834	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	647.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18073	0.4
56.76698	0.4
57.03426	0.6
59.01380	9.4
61.98523	0.5
61.98831	8.1
69.48063	4.1
71.01382	3.9
72.99300	0.9
73.02942	1.4
75.00852	0.5
78.95898	0.5
80.05045	0.6
82.02937	0.6
83.01400	0.8
85.02924	1.1
85.89693	0.4
87.00877	1.0
87.42000	0.4
88.98830	0.9
89.02445	1.8
94.06609	0.6
95.05044	0.6
96.96000	0.6
101.02461	2.1
106.06651	3.2
107.03778	1.0
108.04591	2.3
113.02463	1.6
115.00346	2.1
116.92869	0.5
117.01945	0.6
120.04569	1.0
121.05333	1.5
122.06137	14.6
128.03502	0.4
133.01450	0.4
134.06151	3.3
134.09793	3.8
135.06860	0.5
136.07663	1.9
139.04036	0.5
143.04639	0.4
148.07715	0.6
149.04848	3.2
150.05588	1.3
152.07140	1.1
154.99799	0.6
161.04640	0.9
162.05629	3.1
164.03503	1.1
164.07214	1.0
166.05099	0.6
175.02504	2.4
178.49001	0.5
188.07153	0.9
211.08797	0.8
212.05930	0.4
212.14449	1.1
213.10353	0.7
219.13902	0.5
225.10283	3.9
226.11003	0.6
227.11856	1.9
228.08963	0.8
229.13419	0.5
236.16484	0.9
239.08214	0.6
239.11789	0.8
240.12675	11.6
241.09753	1.0
241.13364	3.1
242.10544	1.2
243.11325	2.2
252.08952	0.8
253.13367	0.8
255.15005	75.0
256.15424	8.7
257.12897	0.8
266.10547	0.7
267.11349	0.7
270.10001	0.7
272.11652	1.5
281.12909	1.9
283.10809	1.5
284.11682	0.7
285.12439	6.9
299.13934	2.0
303.13519	1.2
343.12988	100.0
344.13455	16.2
345.14279	0.8
399.23877	1.7
441.21255	1.8
529.32642	0.8
543.26025	0.7
569.31775	0.5
585.27258	5.1
586.27631	0.7
587.24890	3.9
587.32776	0.9
588.25427	0.9
615.24359	0.7
629.26410	12.4
630.26721	3.3
639.68353	0.4
647.27246	4.6
647.38416	1.4
648.27301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
61.98829	1.3
65.00322	0.8
70.11977	3.9
71.01386	2.0
71.17690	0.7
83.01388	0.7
89.02409	0.8
107.01386	2.1
115.00388	2.5
121.02966	1.6
127.00378	0.9
128.03546	2.6
133.01495	1.2
134.49153	0.7
148.01642	0.9
151.00398	9.7
152.00679	0.8
163.00392	1.2
164.01129	1.1
167.10587	0.7
175.02435	1.6
178.99869	5.1
192.40019	0.8
193.05011	1.7
197.13016	1.4
201.09959	0.7
211.04155	0.7
226.02658	1.3
227.03395	1.3
229.04959	0.8
236.16512	3.2
243.02971	6.1
245.04430	1.1
248.16576	7.8
254.02254	1.3
255.02974	19.9
256.03378	2.2
271.02457	42.0
272.02805	4.1
273.04074	0.9
299.01990	0.9
300.02762	87.5
301.03488	33.8
302.03839	3.2
361.20111	0.7
390.78336	0.8
485.34027	1.6
609.14764	100.0
610.15118	16.6
644.32983	4.7
645.33136	2.6
665.54590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
58.02967	1.7
59.01381	8.0
61.98836	6.4
66.03483	1.2
69.86603	2.3
70.02981	0.9
71.01386	2.6
73.02953	1.0
73.04070	4.1
74.02475	1.1
82.02982	2.2
82.06631	0.6
83.01413	0.7
83.02548	0.5
83.05061	0.5
84.00906	0.5
84.04554	0.6
85.02949	0.7
86.06124	0.3
87.00858	0.5
87.05658	2.2
88.04054	1.0
88.98810	0.5
89.02459	1.1
89.90094	0.3
96.96000	0.4
97.04097	0.4
98.02480	1.1
98.06129	0.4
99.02008	0.7
99.92620	0.4
101.02473	1.8
101.07211	0.9
109.04072	2.9
110.02507	2.2
111.02025	0.6
111.05657	0.5
112.04066	1.6
113.02450	1.2
114.09277	0.4
115.05147	2.0
115.08763	0.8
116.07186	1.2
116.70483	0.3
116.92850	2.3
117.92907	0.3
119.03542	0.5
120.73888	0.3
123.05655	1.6
124.04058	3.4
125.07203	0.6
126.05639	2.2
126.06667	0.7
127.05155	14.7
127.08716	0.4
128.03561	4.4
128.05536	0.5
129.06709	2.7
129.10371	1.6
130.05127	0.8
130.08760	42.5
131.09067	1.3
132.52237	0.4
137.03564	0.7
137.07225	0.9
138.05623	1.3
139.05121	1.5
139.08789	0.5
140.07172	1.1
140.08202	0.3
141.06731	2.0
141.10378	0.7
143.11926	0.8
144.07802	1.0
151.08809	2.4
154.08746	0.4
155.08270	1.0
158.09367	0.4
163.04016	0.4
165.05428	0.4
166.06242	14.4
167.04640	3.8
167.06064	0.4
167.06551	0.4
168.07773	0.6
168.09065	1.1
168.11420	1.0
169.06215	1.2
169.09850	1.5
180.07765	1.6
180.10278	0.5
181.06194	2.7
181.13420	0.6
183.15063	0.7
184.07297	24.3
184.67734	0.4
185.05745	0.9
185.07582	0.5
185.16609	11.2
186.08820	0.9
186.12457	1.2
186.16893	0.6
187.07256	0.9
187.10944	0.4
194.09366	1.0
194.11902	1.0
195.07747	0.5
195.11382	0.5
195.14980	0.5
196.10861	0.6
197.12982	0.9
198.08836	3.3
200.64125	0.4
207.14980	0.5
210.08511	0.4
211.12025	1.0
211.14529	2.5
212.10417	0.7
222.12459	1.0
223.11015	0.5
229.15565	5.5
236.14034	0.6
237.10054	2.0
237.12173	0.5
240.13564	0.6
241.11995	0.6
252.13545	0.7
254.14931	0.4
255.10999	5.2
255.13522	0.6
256.20105	0.6
264.13568	0.6
271.13977	0.5
278.18646	0.7
279.14633	1.8
296.19949	0.9
297.12360	0.4
297.15656	1.4
298.13849	0.4
298.25006	8.0
299.25278	0.8
315.13284	0.4
324.23016	0.8
335.20850	1.0
340.18729	0.9
342.24121	2.2
355.27213	2.5
368.19507	0.9
376.57584	0.4
397.20856	0.7
399.26196	4.5
409.28271	0.6
417.51181	0.4
441.27106	1.7
453.27240	3.6
453.33411	0.6
455.28558	0.6
466.30508	0.6
510.29483	11.5
511.29391	1.1
512.31018	0.8
524.30402	0.4
558.72577	0.3
579.35358	0.5
581.33044	3.8
623.34296	19.0
624.34656	3.5
641.35284	100.0
642.35620	18.3
642.46545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66822	0.2
53.19896	0.3
55.01860	0.3
57.03434	0.5
59.01382	21.7
61.98835	7.7
64.77051	0.3
65.42930	0.2
70.49945	0.2
71.01385	2.8
72.72070	0.2
72.99277	0.4
73.02959	1.1
80.05051	2.3
83.01380	0.3
83.05041	0.3
84.82528	0.3
85.02971	0.9
87.00880	0.8
89.02456	1.0
94.06633	0.4
95.01472	0.3
96.96022	0.5
97.01771	0.4
101.02445	1.6
103.39060	0.3
104.05104	0.4
106.06644	15.5
107.06992	0.6
108.04572	10.6
108.08206	1.4
113.02474	1.3
113.99179	0.3
115.00416	0.7
116.05062	0.3
116.92869	1.0
120.04593	0.6
121.05350	0.7
121.98557	0.3
122.06146	1.0
124.07699	4.4
132.04564	1.1
132.08246	0.7
134.06139	6.6
134.09798	1.4
136.07701	17.1
137.08054	0.6
150.05638	5.0
152.07214	2.3
152.53181	0.2
158.09264	0.3
160.04060	13.8
161.04514	1.2
162.05666	3.1
168.06706	0.9
174.01709	0.6
174.05582	0.8
175.02573	0.5
176.07195	2.3
178.05098	3.5
194.04622	0.5
196.06439	0.8
202.05119	0.4
204.06754	0.5
210.07895	0.4
211.08754	2.1
212.07260	0.5
213.13937	0.6
214.12354	0.8
224.09622	0.8
225.10358	0.6
227.08331	0.5
227.11934	2.7
228.08853	0.5
237.10208	0.3
238.07457	0.4
239.08211	1.5
239.11952	2.2
240.10406	0.7
241.09837	5.6
242.10580	1.4
251.11928	0.5
252.09103	1.1
253.09816	4.3
254.10504	1.0
255.11348	3.4
256.11813	0.5
257.12952	48.2
258.13239	3.9
267.08463	0.3
267.11368	2.4
269.12964	5.5
277.09741	1.7
295.10873	4.5
299.10556	1.4
299.13611	0.5
301.11908	0.9
311.10342	1.0
313.11945	10.9
314.12369	0.7
355.09381	0.5
364.16617	1.1
374.18750	0.5
390.18283	1.9
392.19806	3.3
393.19870	0.4
418.21408	1.0
436.18787	36.4
437.19162	5.5
444.19626	0.4
462.20181	2.6
495.20404	0.5
525.21808	0.4
537.31860	0.4
553.24493	1.0
555.33563	0.5
579.22516	0.7
590.94214	0.3
597.23566	100.0
598.23883	21.4
599.35883	0.6
641.35388	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	641.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13417	0.4
56.88242	0.5
59.01089	0.5
59.01381	9.5
60.01728	0.4
61.98836	4.1
71.01392	2.1
71.05029	0.5
71.72305	0.5
72.99326	0.5
75.00871	0.5
78.95893	1.0
83.01375	0.5
85.02970	0.8
87.00888	0.5
96.96025	4.0
96.96977	1.5
98.95597	2.2
99.00935	0.7
99.92595	14.0
100.92616	1.1
100.93348	0.5
101.02452	1.1
103.00388	0.5
106.06655	3.6
113.02506	0.6
115.92100	25.5
116.92875	100.0
117.92887	5.5
120.08160	0.5
121.02985	0.7
122.06145	0.7
125.02427	0.5
132.04510	0.5
134.06111	0.4
140.92885	0.7
141.93710	0.7
142.94446	0.6
158.93929	0.8
174.93506	0.4
184.91850	1.6
186.93491	0.4
194.43202	0.4
196.95511	0.4
221.08200	0.7
241.43445	0.4
263.08124	0.4
265.09879	0.8
267.11578	0.4
277.09909	0.5
279.11356	0.7
325.11792	0.6
384.17365	0.5
414.18826	0.4
442.29865	0.4
537.10773	2.2
538.10974	0.6
547.23621	3.0
548.24860	0.5
555.11737	2.4
556.12396	0.7
565.24591	1.0
567.11816	0.5
579.11945	1.5
591.22345	0.6
596.33466	0.5
597.12988	3.9
597.22870	0.9
597.33325	0.6
598.13214	0.8
605.09717	1.3
609.23743	1.7
623.25269	1.8
640.39337	1.7
641.12054	10.4
641.25781	3.4
641.35272	0.6
642.12231	2.8
642.26300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03449	1.7
58.00586	0.9
59.01379	22.0
61.98820	1.9
66.39643	0.3
69.03466	0.5
69.98877	2.2
71.01386	21.1
71.05016	0.5
72.01712	0.7
72.99301	0.6
73.02952	7.3
75.00874	0.6
78.03512	0.4
80.36698	0.4
83.01387	2.7
85.02956	8.1
86.00108	1.1
87.00878	5.4
87.89073	0.4
88.98805	0.7
89.02455	10.4
93.03449	0.5
95.01404	1.8
96.87489	0.4
97.06585	0.4
99.00919	2.0
101.02458	13.7
102.02801	0.5
104.05058	1.4
106.06635	5.7
108.08212	5.1
109.06634	0.4
111.00927	0.5
113.02463	10.7
114.02792	0.6
115.00380	1.1
119.03515	3.8
119.05008	0.6
122.06109	0.4
124.05337	0.5
125.02465	0.9
125.09708	0.5
131.03526	4.5
133.01421	1.2
134.06122	1.2
143.03532	1.2
147.03265	0.4
148.04066	16.4
149.04483	1.2
152.07190	2.9
159.03008	1.6
160.04059	10.1
161.04747	14.7
162.05656	2.3
164.03548	0.6
171.10280	0.7
174.05531	0.6
175.02602	1.4
178.45169	0.4
179.05637	1.8
185.11768	0.4
187.13414	0.5
192.03073	1.1
193.03778	5.4
193.05234	0.4
201.14981	1.0
210.05473	0.7
213.07884	0.5
215.12805	0.4
221.06648	4.9
227.16560	1.1
229.18114	0.3
237.06720	0.7
240.10408	2.1
240.12456	0.5
242.11894	0.7
265.18033	1.3
267.11346	5.7
268.09613	0.5
269.12921	21.1
270.13290	2.4
283.19238	2.2
295.10873	54.3
296.11224	7.0
298.12326	0.4
301.20190	2.8
313.11942	10.9
314.12253	1.1
329.57739	0.4
337.08795	0.4
355.12988	2.2
371.24496	2.2
389.25455	9.2
390.25705	0.9
415.15234	0.9
475.17181	1.3
476.17615	0.6
517.18201	4.9
518.18646	0.8
533.29846	1.3
551.30762	2.1
593.31812	15.9
594.32477	2.3
637.22620	100.0
638.22968	20.6
664.45709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06497	0.3
59.01372	2.2
61.98825	0.5
68.50410	0.3
70.47037	0.6
70.47430	0.6
71.01389	13.0
72.01743	0.3
72.99335	0.7
73.02960	0.6
73.71122	0.3
74.02470	0.3
85.02968	1.0
87.00896	0.3
89.02421	0.6
93.03462	0.5
99.00857	0.4
99.92604	1.0
101.02457	0.7
109.02995	0.5
113.02466	0.6
115.00388	13.4
116.00784	0.4
116.92880	11.8
117.01975	0.4
117.03541	0.3
117.92889	0.9
119.05046	40.6
120.01269	0.7
120.05355	2.2
121.02983	0.8
123.04533	0.4
128.03548	0.5
133.01456	22.7
134.01759	0.5
134.03769	6.8
135.04596	1.5
136.01651	0.8
147.04538	0.3
149.02419	0.5
149.06120	5.1
150.03209	0.9
151.04002	1.7
161.04500	0.3
163.04031	100.0
163.56178	0.3
164.04390	5.1
165.04089	0.3
165.05545	0.5
173.29117	0.4
175.02588	0.5
175.03961	1.7
178.02756	1.1
179.03502	1.0
181.05141	0.5
193.05099	5.0
206.08212	0.6
207.08571	0.4
251.07317	0.3
267.49393	0.3
271.09717	1.1
273.14612	0.4
279.05151	5.8
280.05441	0.6
297.07706	0.5
298.40594	0.3
357.16644	0.5
361.12732	0.7
389.12424	0.5
405.07202	0.2
405.11960	6.9
406.12222	1.0
459.12851	0.3
477.14099	0.3
484.57037	0.3
503.12271	1.6
521.13031	2.4
522.13940	0.5
576.16248	0.4
593.18982	0.5
637.28558	0.4
638.26263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37161	0.2
70.48278	0.4
70.48673	0.4
71.01385	9.4
72.99313	1.5
87.00858	0.5
89.02451	1.5
92.21864	0.2
98.20340	0.4
107.05029	0.5
115.00387	25.9
116.00728	0.7
133.01450	100.0
134.01794	2.2
134.03761	1.7
135.04541	25.8
136.04883	1.3
179.03511	27.4
180.03850	1.6
212.75815	0.2
295.04599	8.3
295.10229	0.7
296.04907	0.9
311.50644	0.2
597.89191	0.2
612.82312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68715	1.4
69.69145	1.0
71.01385	8.4
72.99319	1.4
82.07523	0.3
89.02444	0.9
98.20266	1.2
107.05099	0.3
115.00385	25.1
116.00740	0.6
119.99046	0.3
129.99924	0.3
133.01450	100.0
134.01805	2.5
134.03764	1.7
135.04539	24.5
136.04890	1.2
175.78944	0.3
179.03513	29.7
180.03827	2.0
191.01170	0.3
295.04599	8.5
296.05115	0.6
472.56772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74965	1.0
59.01384	28.6
60.96678	0.9
61.98833	7.8
64.12693	0.9
68.46497	0.9
69.03452	0.8
70.49084	3.0
71.01387	22.3
71.87378	0.8
72.99326	1.9
73.02958	15.3
75.00893	1.5
80.05069	1.3
83.01396	3.9
85.02959	2.7
87.00893	3.0
87.04512	1.3
89.02444	4.3
92.05106	1.1
93.03471	3.8
94.06631	19.1
95.01402	0.9
99.00872	0.9
101.02457	13.3
101.06116	1.0
104.05086	3.0
106.06647	7.2
108.02175	1.5
108.04560	5.1
113.02477	7.6
113.06123	1.0
115.00387	16.3
119.03551	1.2
119.05038	6.3
121.02967	2.0
122.06123	1.3
123.04521	1.5
124.07700	21.4
125.08054	0.9
128.03537	1.1
130.02985	0.9
132.04575	41.3
132.05589	1.9
133.01450	18.0
134.03758	48.7
135.04478	3.3
136.01717	5.2
138.05667	2.0
143.03519	1.3
144.04587	1.5
145.05386	1.2
146.06157	1.1
148.04039	2.4
149.02621	1.0
149.04890	1.3
149.06102	38.0
150.06503	1.9
151.04027	13.2
153.26857	0.8
158.02478	3.8
160.04079	2.8
161.04637	2.8
161.06114	1.0
163.03973	2.7
164.04747	1.8
168.06682	39.3
169.06967	1.8
169.36673	0.8
175.02550	2.1
176.03552	8.2
178.02756	2.4
179.03522	2.5
180.06610	4.7
182.08247	4.4
188.03554	2.0
189.04308	3.8
190.05122	20.1
192.04352	1.2
193.05106	17.1
208.06114	1.4
210.07690	1.3
211.06079	3.0
217.14362	2.3
236.16615	1.7
237.10344	17.8
238.10846	1.8
239.11903	3.5
249.10422	1.1
251.11871	2.8
253.09674	1.9
254.08154	2.1
265.09677	1.6
265.12308	0.9
267.11465	6.8
268.81717	0.8
269.12933	18.8
270.13306	2.4
273.14896	6.2
281.09280	6.4
282.09708	1.1
283.10861	2.8
283.19302	1.5
285.12589	1.2
289.11899	6.5
295.10837	8.1
296.11035	1.2
311.10410	23.8
311.14120	1.2
312.10699	2.8
313.11935	29.7
314.12231	2.7
317.13873	2.4
327.13123	1.5
331.13168	1.8
339.09885	11.2
345.09903	1.5
353.11392	1.5
353.23276	0.9
355.09308	2.1
355.13058	2.9
357.10944	22.1
358.11215	2.6
361.13080	2.8
371.12527	7.0
371.24451	3.5
372.12701	1.7
387.10889	1.4
389.13556	23.5
390.13760	2.6
399.11981	2.6
405.11917	56.0
406.12381	5.2
433.15152	1.7
493.18143	3.5
515.28760	1.1
517.18188	14.2
521.14221	4.1
531.66833	1.2
533.17688	2.8
533.29688	2.5
551.18695	1.5
561.17316	100.0
562.17688	17.0
575.18866	17.4
576.18896	2.6
577.27826	1.3
593.19891	35.9
594.20142	5.0
637.38409	2.0
652.75385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.7
71.01390	17.0
71.73567	1.2
72.99322	1.9
73.02956	1.1
83.01422	1.0
85.02968	3.7
89.02466	4.9
93.03516	1.0
101.02460	3.4
113.02484	1.3
115.00397	26.8
116.92876	2.8
119.03629	0.8
119.05041	20.9
133.01456	100.0
134.01842	1.9
134.03752	1.6
135.04550	8.6
138.04019	0.9
149.02441	1.3
149.04585	1.7
161.04602	1.0
163.04031	28.8
163.05400	1.4
164.04527	1.5
179.03526	3.1
179.05577	0.9
191.02002	1.5
193.05057	1.9
209.03001	1.1
223.06131	2.8
250.00369	0.8
277.37131	1.0
279.05109	3.7
327.08737	1.6
359.11252	1.4
387.10968	1.1
403.10379	3.9
458.27725	0.9
635.28741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.7
71.01390	17.0
71.73567	1.2
72.99322	1.9
73.02956	1.1
83.01422	1.0
85.02968	3.7
89.02466	4.9
93.03516	1.0
101.02460	3.4
113.02484	1.3
115.00397	26.8
116.92876	2.8
119.03629	0.8
119.05041	20.9
133.01456	100.0
134.01842	1.9
134.03752	1.6
135.04550	8.6
138.04019	0.9
149.02441	1.3
149.04585	1.7
161.04602	1.0
163.04031	28.8
163.05400	1.4
164.04527	1.5
179.03526	3.1
179.05577	0.9
191.02002	1.5
193.05057	1.9
209.03001	1.1
223.06131	2.8
250.00369	0.8
277.37131	1.0
279.05109	3.7
327.08737	1.6
359.11252	1.4
387.10968	1.1
403.10379	3.9
458.27725	0.9
635.28741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
64.31043	0.2
69.40342	2.4
71.01385	9.3
72.01708	0.2
72.99311	1.7
75.71649	0.2
81.47974	0.2
85.02969	0.2
86.13004	0.2
87.00885	0.5
89.02447	1.4
107.05054	0.2
108.02122	0.2
109.02983	0.3
115.00391	26.0
116.00735	0.5
116.92850	0.5
117.03497	0.4
119.05046	0.4
133.01451	100.0
134.01782	2.7
134.03781	1.8
135.04544	25.3
136.04877	1.5
144.14133	0.2
151.03986	0.3
161.02452	0.3
163.04010	1.7
168.77869	0.2
177.01949	1.9
178.02266	0.6
179.03520	27.0
180.03827	1.5
193.05132	0.3
196.35316	0.2
223.04556	0.3
235.46274	0.2
271.09711	0.4
295.04575	5.3
296.04929	0.5
339.07117	0.3
340.07507	0.3
341.08081	0.3
403.64111	0.2
449.22473	0.2
521.13104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	10.1
72.99299	1.8
78.05802	0.3
85.02956	1.1
87.00866	0.4
89.02462	1.4
89.03961	1.0
92.21846	0.3
96.96037	0.4
98.93327	0.3
105.03475	2.1
105.16021	0.4
107.05044	0.7
111.44530	0.4
115.00385	27.2
116.00705	0.4
116.92885	0.5
119.05024	0.6
131.04637	0.4
131.07149	0.5
133.01450	85.5
133.02885	5.9
134.01805	2.1
134.03726	1.5
135.04538	34.5
136.04877	1.4
137.97237	0.4
141.43730	0.4
142.36591	0.4
149.02429	1.8
163.04012	0.7
164.04837	1.8
176.01195	1.3
177.01941	100.0
178.02275	5.1
179.03516	28.1
180.03821	1.3
190.55148	0.4
191.02034	0.5
193.05078	0.5
223.06091	3.7
293.12314	0.9
295.04608	5.9
296.04947	0.5
327.08401	0.4
339.07214	47.7
340.07507	4.2
458.07388	0.5
501.96912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
63.97408	0.5
67.95853	0.4
70.22965	2.2
71.01386	20.9
72.99326	2.2
73.02956	0.5
81.51979	0.4
85.02963	2.5
89.02439	2.1
92.26408	0.4
93.03459	0.7
94.37547	0.4
101.02457	0.4
101.79931	0.4
105.03374	0.5
107.05058	0.5
115.00387	31.5
116.00727	0.7
117.03475	0.6
119.05025	1.2
121.02982	2.8
121.03750	0.5
132.02184	0.5
133.01451	100.0
134.01819	2.2
134.03741	1.8
135.04546	21.2
136.04901	1.0
143.05066	0.6
147.04520	1.7
149.02466	22.8
150.02808	0.8
152.01212	0.4
163.04013	1.3
164.04822	17.7
165.05151	1.5
177.01913	1.6
179.03522	24.7
179.07054	2.0
180.03865	1.4
191.02022	2.0
193.01503	0.9
193.04997	0.9
208.03781	2.7
209.02937	0.5
223.06120	56.4
224.06442	3.5
295.04572	3.8
327.08646	2.8
339.07397	2.2
359.11401	0.6
403.10217	0.9
519.15619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98848	0.3
65.91985	0.2
69.83035	1.5
71.01385	8.6
72.01728	0.3
72.99315	2.0
73.02952	0.5
78.17596	0.2
85.02965	0.6
87.00882	0.6
89.02438	1.3
89.54453	0.2
91.93500	0.2
96.96036	0.4
98.20609	0.2
101.02444	0.5
113.02435	0.3
115.00385	27.7
116.00724	0.6
128.03569	0.3
133.01447	100.0
134.01770	2.6
134.03789	1.3
135.04536	19.1
136.04915	0.9
161.02524	0.4
161.04550	0.2
169.01735	0.2
177.01973	0.8
178.02364	0.3
179.03508	24.0
180.03857	1.2
193.05017	0.2
219.13145	0.2
246.86252	0.3
295.04587	9.2
295.82401	0.2
296.04990	0.6
304.72440	0.3
306.94080	0.2
337.14877	0.4
382.94168	0.2
625.65228	0.2
627.90076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.7
57.03445	0.5
58.00587	0.9
59.01379	100.0
60.01718	1.3
61.98842	2.0
62.96437	0.4
67.90659	0.4
69.03455	1.7
71.01386	42.2
72.01715	0.9
72.99307	1.7
73.02951	51.7
74.03304	1.0
74.57360	0.4
75.00880	1.4
78.03738	0.4
81.03452	0.4
83.01398	14.6
85.02962	6.0
87.00883	2.8
89.02451	13.1
95.01399	1.9
97.02958	1.2
98.19907	0.9
99.00903	1.2
99.04561	0.4
101.02457	48.3
102.02769	1.1
113.02462	23.0
114.02755	0.6
115.00402	0.6
119.03521	7.8
124.89146	0.4
125.02504	2.0
131.03532	5.7
133.01369	0.5
135.04491	1.1
143.03525	6.9
147.02974	0.6
149.04575	11.5
151.07663	1.8
154.99854	0.4
155.03500	1.8
155.26547	0.4
161.04590	18.1
175.02367	0.6
179.05713	2.2
187.11203	0.7
189.12849	2.5
203.05673	2.9
205.12320	3.6
221.06664	5.6
259.13177	1.5
271.13327	0.5
277.14429	6.0
367.17151	0.5
427.19073	1.0
470.56290	0.5
495.18350	0.5
520.29858	0.4
634.33435	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	631.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60279	0.5
57.03423	0.7
59.01366	1.1
61.98827	0.9
71.35500	1.4
73.15484	0.6
79.73123	0.5
101.35697	0.5
109.06612	1.0
117.46214	0.6
143.57835	0.5
152.99577	0.7
263.38803	0.5
277.21719	100.0
278.22116	9.5
302.05569	0.6
456.15598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.2
60.95457	1.5
61.98831	31.8
71.01391	9.1
72.27483	1.6
73.02940	5.8
83.01371	1.8
85.02951	2.7
87.00897	2.8
87.04532	8.1
88.98788	2.6
89.02459	2.6
101.02448	6.3
104.05072	3.1
106.06646	7.0
108.04554	4.4
113.02427	5.2
115.00360	3.1
121.05338	2.3
122.06143	1.9
124.07712	4.2
131.03526	12.8
132.04582	14.0
134.06122	10.5
134.57567	1.6
135.04533	2.5
136.07706	23.8
141.58020	1.8
146.06172	3.0
150.05556	2.7
160.04028	10.6
160.07715	1.8
169.12317	3.9
171.10274	3.7
174.01820	2.9
174.09108	1.8
175.02507	3.5
176.03430	1.9
178.05058	4.6
184.07626	3.9
198.05551	4.2
198.09097	1.8
202.08720	4.8
204.02983	2.6
212.10794	5.0
214.12366	13.3
229.66972	2.5
240.10419	1.9
246.07726	2.8
256.09738	3.7
257.12918	13.0
258.11212	2.6
265.09747	2.2
271.14426	3.8
285.12418	2.1
297.12421	5.6
300.08728	2.6
302.10355	5.4
323.26044	3.0
341.15048	3.6
341.26898	7.2
346.09390	6.6
349.15738	3.7
349.23547	2.5
365.18488	5.5
367.24799	7.7
381.14337	1.9
384.24393	2.0
385.25964	100.0
402.18018	6.9
409.17715	2.2
412.20346	2.7
428.20044	2.7
430.17938	16.4
438.18326	3.8
446.17072	3.0
453.16589	4.7
456.19312	21.5
457.19791	3.8
474.16724	17.2
475.16721	4.0
492.17859	3.0
500.18274	59.8
501.18610	8.5
508.22174	2.0
526.23108	2.3
544.24353	6.0
570.22552	8.0
588.23248	12.3
589.16339	2.7
589.32318	3.3
614.21887	14.4
615.22046	2.3
632.22546	61.6
633.22296	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	631.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00068	0.2
59.01377	0.5
61.98573	0.1
61.98834	1.4
63.33065	0.2
64.09878	0.2
72.55588	0.2
73.02957	3.9
75.00863	0.5
78.95956	0.2
81.79169	0.2
98.53401	0.2
99.00893	0.8
99.92596	10.5
100.92621	0.5
109.64308	0.2
114.93421	0.5
115.00433	0.3
115.04002	0.3
116.03596	0.3
116.07185	0.6
116.92878	100.0
116.97269	2.2
117.01960	6.5
117.05585	0.5
117.92893	5.7
118.05146	0.2
243.59511	0.2
277.21848	0.3
290.86285	0.2
339.41464	0.2
357.91254	0.2
430.16083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79166	0.1
55.01874	0.2
59.01368	0.3
61.98834	0.8
63.27989	0.1
68.57688	0.2
69.40964	1.0
69.41393	0.6
73.02528	0.3
73.02950	5.1
74.02466	0.2
75.00892	0.9
78.95930	0.2
81.86820	0.1
87.00891	0.2
89.02428	0.2
98.20666	0.2
99.00892	1.4
99.92599	9.5
100.92613	0.4
113.31594	0.2
114.93439	0.4
115.00392	0.6
116.00719	0.2
116.03579	0.2
116.07188	0.5
116.92881	100.0
116.97226	0.9
117.01956	10.6
117.05588	0.7
117.92886	5.9
118.05118	0.3
171.87329	0.1
189.12708	0.2
189.66455	0.1
235.41731	0.2
242.87727	0.1
277.21658	0.3
280.32886	0.2
283.29129	0.1
299.94611	0.2
423.27344	0.2
631.36206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43141	0.4
57.03448	0.6
59.01385	7.9
59.53948	0.4
61.35408	0.4
61.98835	3.7
62.61983	0.4
71.01376	3.2
71.05045	0.6
71.72545	0.8
73.02954	2.6
78.95905	0.6
80.64957	0.4
81.76762	0.4
83.01408	0.5
84.26353	0.4
85.02929	0.8
87.04623	0.5
89.02466	1.9
95.05074	0.4
96.31023	0.4
96.52086	0.4
96.96010	0.6
96.96955	0.5
97.06607	1.2
99.00890	0.4
99.04530	0.5
101.02448	2.5
109.06614	0.4
110.70876	0.4
113.02439	0.8
115.00396	0.7
122.01991	0.4
123.08185	1.3
125.09732	2.2
137.09676	1.3
141.09172	0.6
149.04559	2.1
153.09163	0.5
155.10825	0.7
165.12846	2.1
167.14418	1.0
171.10265	4.7
175.02499	0.7
177.12909	0.7
185.11847	0.5
195.13930	0.4
201.05109	0.4
209.11818	0.5
227.12794	0.5
235.17081	0.4
236.16595	0.6
239.12877	2.7
321.24420	1.9
327.84149	0.4
337.23700	0.6
339.25302	3.8
347.22525	0.9
365.23340	4.9
366.24042	0.6
383.24384	100.0
384.24725	10.9
397.25928	5.8
398.26251	0.9
425.25534	3.1
467.26422	1.1
537.08020	0.4
619.62677	0.4
631.36035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51717	0.3
53.56298	0.4
55.29928	0.4
57.88609	0.4
59.01378	4.7
60.22301	0.4
60.99305	15.1
61.98836	2.0
67.27822	0.4
71.01387	1.8
71.72198	0.6
73.02955	0.9
78.95924	0.5
88.98816	100.0
89.02487	0.4
89.99165	0.8
101.02470	0.5
106.06701	0.4
113.02468	0.5
136.07684	0.7
144.49796	0.4
150.05409	0.4
175.02519	0.4
214.12207	0.5
224.37802	0.4
241.09782	0.6
256.03714	0.4
259.76175	0.4
305.68420	0.4
316.98462	0.4
381.11801	0.5
383.24368	1.6
474.17007	0.8
500.18384	1.7
545.08582	0.6
631.37396	0.6
632.22174	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	629.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32672	0.4
66.35912	0.5
69.38895	2.7
69.39329	2.7
71.01384	15.6
72.99316	4.6
75.56556	0.4
75.57044	0.4
89.02456	1.4
93.88666	0.5
96.95995	0.7
98.34755	0.5
102.40746	0.5
107.05042	0.8
115.00386	45.6
116.00713	1.4
133.01448	100.0
133.03041	3.3
134.01826	3.2
134.03755	7.2
135.04539	53.6
136.04863	2.5
152.95966	4.6
161.01096	0.9
161.02455	19.3
162.02798	1.0
170.97038	4.8
173.90602	0.5
179.03503	54.1
180.03900	3.1
197.85426	0.5
204.99062	2.2
209.03383	1.2
216.99081	38.8
217.99391	2.3
224.58525	0.5
286.98163	1.4
287.01071	0.8
295.04590	8.5
323.07800	0.5
333.00168	58.1
334.00589	4.5
351.01276	0.8
467.02737	1.2
524.85052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03437	1.6
57.28339	0.6
58.00569	0.7
59.01379	28.8
61.98826	8.5
67.01899	1.4
68.99839	0.6
69.03452	1.1
69.46687	3.6
69.47116	1.5
71.01383	21.7
72.99310	3.0
73.02946	9.2
75.00883	1.6
82.02962	0.7
83.01391	7.5
83.05028	0.9
85.02956	8.5
87.00882	27.9
87.04557	0.7
88.98820	1.6
89.02460	2.9
95.01415	0.7
96.96006	0.7
97.02917	0.7
97.06589	0.6
99.00900	1.6
101.02449	8.3
102.29787	0.5
109.06583	0.5
111.00913	3.1
111.04533	0.8
112.98842	1.4
113.02466	7.7
115.00385	51.6
116.00726	1.5
119.03519	1.2
123.08247	0.9
125.06110	0.6
127.00372	0.8
127.05155	1.5
128.03566	4.8
129.01949	1.1
129.10329	0.8
131.03537	1.8
133.01448	0.9
133.10225	0.9
133.61401	0.5
135.03053	0.5
135.04546	0.6
135.11816	6.1
137.09746	0.8
139.00389	3.4
142.99904	1.8
143.03528	1.4
146.07385	0.7
147.04503	0.6
149.04539	0.9
154.99876	3.7
157.01422	10.2
159.08295	0.6
159.11812	2.0
161.04584	2.3
161.09726	6.3
173.00905	0.9
174.01709	5.2
175.02493	100.0
175.11278	0.7
176.02818	2.7
177.12840	1.2
179.05614	1.3
179.10780	27.4
180.11153	1.6
203.10797	1.7
221.06673	1.2
221.11778	1.8
222.12575	0.8
223.09756	17.2
223.13164	0.7
224.09950	0.9
240.13474	0.9
265.10892	0.8
267.12350	0.8
296.09860	0.6
337.12967	0.9
350.15094	0.9
363.10916	7.1
381.11896	56.8
382.12323	6.0
407.13406	0.5
423.12973	1.1
425.14566	2.5
427.16147	3.8
543.16968	1.3
585.18280	39.8
586.18567	7.2
611.25024	0.7
611.35358	0.6
628.36035	4.6
629.25922	0.6
629.36871	3.7
630.22925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2112
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.80953	0.1
51.69847	0.1
53.06940	0.1
65.87189	0.2
68.74667	0.1
69.90051	0.1
70.22553	0.6
70.22942	0.2
73.02946	1.3
85.88391	0.1
124.59641	0.1
145.93666	0.1
154.56494	0.1
190.19572	0.1
230.78169	0.1
349.80640	0.2
436.15765	0.2
437.12259	0.8
438.13138	1.5
439.13583	0.5
450.13318	0.3
451.14072	1.2
452.14890	4.0
453.15231	1.2
465.16824	0.8
466.17007	0.8
467.16586	0.5
469.11655	0.4
478.12415	0.3
479.17953	0.9
480.14563	0.6
481.14978	9.3
482.15298	2.3
483.20676	0.3
484.13806	0.7
492.18124	0.2
493.15259	1.5
494.15619	1.1
495.16714	16.7
496.17096	4.6
498.15442	0.3
502.14716	0.3
507.16016	1.1
508.17880	2.3
509.18640	1.8
510.18698	0.3
512.12976	1.3
513.14893	0.2
518.16351	0.2
519.16479	0.4
521.14301	1.1
522.15466	0.6
523.16327	0.9
523.19568	0.9
524.17456	0.5
525.15503	0.3
526.14917	1.1
527.15375	0.2
528.16217	0.2
530.14398	0.3
533.18530	0.7
534.19189	0.2
535.16083	1.9
536.16870	3.3
537.17230	0.9
539.15265	0.8
540.17047	2.9
541.17078	1.0
544.15973	0.2
549.18170	0.2
550.19165	0.2
551.19305	39.7
552.19562	12.3
553.17273	0.7
554.18811	1.1
555.19012	1.5
567.18756	0.5
568.15900	1.0
569.16156	0.2
572.15613	3.0
573.15771	1.0
583.21991	0.2
584.22388	0.2
585.20923	0.2
586.17114	2.0
587.17194	0.7
595.18390	8.3
596.18542	2.7
600.18286	0.2
627.21069	100.0
628.21368	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80772	0.3
57.97551	0.3
59.01370	0.3
61.98832	0.8
67.93501	0.2
71.72006	0.3
77.18469	0.2
78.95909	0.3
79.16991	0.2
84.44155	0.2
86.67616	0.2
96.95979	0.3
106.12855	0.2
108.08158	0.3
114.16206	0.3
122.06197	0.4
134.06117	0.3
148.02298	0.4
168.91832	0.2
170.11928	0.7
192.17526	0.2
199.88324	0.2
216.64754	0.2
236.16626	1.1
237.16881	0.7
238.18124	100.0
239.18488	9.0
240.18727	0.5
254.17532	0.4
254.76009	0.3
255.18060	0.3
256.19183	7.5
257.19574	0.8
279.11438	0.4
280.11700	0.3
307.64847	0.3
433.43597	0.3
459.79938	0.3
475.35284	0.7
476.35873	0.4
477.36954	54.8
478.37314	9.3
506.26459	0.3
550.25378	1.4
594.24426	0.4
626.39972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30849	0.6
51.69254	0.5
54.11779	0.5
54.29594	0.6
55.01870	1.0
59.01379	8.9
59.88302	0.6
60.99287	0.6
61.39267	0.5
61.82391	0.5
61.98835	7.1
67.67637	0.5
70.45452	0.5
71.01390	24.8
71.02508	10.0
72.00910	0.9
73.02930	2.1
73.04075	2.4
78.60746	0.6
78.95906	1.3
82.06612	0.8
83.01405	1.3
83.02522	0.6
85.02953	1.4
85.04070	1.3
87.00885	1.0
88.04053	15.1
88.98824	3.6
89.02460	1.7
90.33125	0.6
91.05536	1.2
95.01374	0.5
96.03343	0.7
96.96043	0.8
98.02470	0.9
99.00887	1.0
101.02454	2.7
110.03619	2.7
111.02015	6.6
112.07720	1.1
113.02421	1.9
114.02009	0.8
115.00394	25.1
116.05045	1.7
116.30525	0.5
116.92876	0.9
118.06569	1.1
119.03458	0.7
128.03737	1.1
128.04681	9.2
129.10362	17.2
130.08749	1.1
132.03044	18.7
132.22488	0.5
135.04524	0.9
139.08771	1.4
141.10374	0.7
143.04599	0.7
146.06136	10.6
147.04512	3.0
151.08788	10.5
152.07184	1.2
152.99626	0.7
154.99902	1.3
155.08292	3.1
156.08208	0.9
158.06154	0.8
160.07768	0.8
163.08791	7.1
164.07196	9.0
166.09872	1.3
167.10689	4.1
168.11459	9.2
169.09793	0.9
173.07196	2.2
174.01625	1.1
174.05513	0.8
174.09300	0.8
175.02484	1.1
180.11505	1.2
184.10930	0.7
184.57440	0.6
186.05592	0.6
186.12537	5.0
188.64040	0.5
189.06755	0.7
198.07962	2.0
203.08311	7.2
218.08241	1.1
220.10925	15.4
221.11346	0.9
223.11853	0.6
233.16710	1.2
235.10950	0.9
241.13463	15.7
242.11629	1.0
242.13794	1.8
255.15123	1.0
258.16089	7.6
259.14334	1.2
261.08813	3.0
271.11020	0.9
272.17725	2.6
276.17160	4.5
279.09875	0.8
284.17505	1.2
288.17007	1.5
290.18671	0.9
298.15564	1.8
314.12613	0.9
315.18274	19.4
316.18582	1.1
323.14221	0.6
333.19254	5.5
431.24228	1.1
437.25665	1.3
440.12085	0.6
462.25113	5.6
463.24857	0.7
480.19281	1.3
480.26175	24.0
481.24878	9.1
492.26254	1.9
493.24820	2.5
510.27121	9.0
511.25629	34.3
512.25726	4.9
521.33807	0.7
522.33655	3.4
540.34521	0.6
552.28265	2.7
564.28571	0.7
596.27472	4.0
597.27045	0.8
608.27307	8.4
609.27704	1.9
626.28436	100.0
627.28845	22.8
627.39026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03451	2.6
58.54582	0.4
59.01379	25.6
60.01706	0.5
61.98832	100.0
62.98540	0.6
69.03458	0.8
71.01385	10.1
71.05029	0.7
71.07657	1.4
72.01739	0.6
72.99332	0.8
73.02945	3.1
74.02479	0.6
75.00920	0.6
83.01390	2.2
85.02968	4.9
87.00882	2.0
87.04505	0.8
88.98820	2.2
89.02464	3.4
95.01414	1.4
99.00913	1.2
100.69385	0.5
101.02447	5.2
107.01382	0.6
113.02460	6.5
113.07224	0.7
114.27216	0.4
115.00359	1.5
119.03516	0.5
123.08154	0.7
125.02416	0.7
127.05085	0.6
133.01486	0.8
135.04553	0.7
141.09254	0.5
142.99902	0.6
151.00394	1.3
153.03116	0.5
156.67299	0.4
161.04591	0.7
166.08647	0.5
173.00847	0.7
173.93173	0.4
175.02493	2.6
177.65108	0.4
178.99852	0.9
187.13435	1.5
211.03760	0.6
217.14378	0.6
219.17960	0.5
223.10938	0.6
227.03496	19.5
228.03923	1.4
229.04991	1.1
255.02983	36.9
256.03635	4.7
257.04572	0.6
283.02484	0.9
284.03262	67.5
285.03827	11.4
293.03021	0.5
345.26431	0.7
359.27948	1.1
375.27509	0.7
377.29080	5.8
378.29514	1.9
510.15216	0.5
521.33276	31.9
522.33624	13.6
539.34235	8.3
540.34357	2.7
563.14136	69.8
564.14465	9.7
581.35498	4.3
582.36053	2.5
625.36334	2.0
626.28003	0.6
626.38104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03447	6.6
58.00572	0.7
59.01379	63.9
60.99299	2.0
61.98831	22.2
69.03451	1.6
71.01391	23.1
71.05019	1.5
71.72546	0.7
72.01720	1.0
72.99303	1.9
73.02950	6.2
74.02480	4.2
75.00887	1.2
79.95730	1.0
80.96515	1.6
81.03478	0.6
83.01407	3.7
83.05022	1.0
85.02964	11.4
85.06650	0.5
87.00909	3.7
87.04517	2.0
88.98814	9.2
89.02449	7.0
93.03419	0.5
94.98090	0.7
95.01410	3.4
96.95981	0.7
97.02950	1.8
97.06603	0.9
99.00895	2.5
101.02457	12.3
101.32069	0.5
102.00177	0.6
108.60748	0.5
109.04111	0.9
109.06609	1.0
111.00864	1.0
112.01680	0.6
112.02843	0.5
113.02467	16.0
113.07231	4.4
115.00397	2.1
115.07676	0.8
116.92901	0.7
119.03528	1.9
119.05033	1.0
120.01261	0.7
121.02932	1.1
122.06134	1.1
123.08160	1.6
125.02457	1.9
127.05110	0.6
128.03569	1.3
129.10358	3.4
130.08739	1.0
131.03519	0.7
133.01439	1.3
135.04524	1.7
140.07193	1.3
141.09293	0.7
143.03488	1.9
143.10799	1.5
149.04507	0.7
153.03067	0.9
153.09204	1.0
154.99919	0.7
155.08266	0.9
157.12357	2.5
159.03024	0.9
161.04633	2.8
165.05696	0.6
167.10742	0.6
169.12346	1.5
173.09354	1.2
173.11832	0.8
175.02524	1.5
179.05609	0.7
180.04329	0.9
180.10326	2.4
180.11729	0.5
180.38843	0.6
187.13393	4.1
197.12970	0.6
201.15050	0.8
217.14426	1.7
221.07129	0.6
223.10954	1.1
227.03410	2.7
242.18640	1.2
246.18393	0.6
255.02972	6.4
284.03241	11.4
285.04099	1.1
292.87225	0.6
299.01837	0.5
303.21671	0.8
331.24994	1.3
339.24081	1.1
345.26492	2.1
355.19882	1.3
357.26459	0.9
359.28122	3.7
375.27643	1.1
377.29102	13.7
378.29538	1.5
383.22913	1.9
429.24872	1.9
447.25946	2.0
473.30551	0.7
489.26859	2.0
509.14148	0.9
521.33240	100.0
522.25671	0.9
522.33569	16.6
539.34241	19.2
539.42468	1.3
540.34259	3.0
563.14117	12.2
581.35468	13.9
582.36041	2.8
607.34406	1.1
625.25769	2.2
625.35791	15.3
626.36151	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.268
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01361	4.3
61.98840	3.9
71.01390	0.9
71.37783	1.3
72.94417	0.7
75.19205	0.7
75.19646	0.8
78.95908	1.1
79.05437	0.7
80.05069	2.4
80.52834	0.8
87.66631	0.7
88.13345	0.7
94.06647	6.4
103.04291	0.8
104.05087	2.6
106.06638	52.3
107.06968	1.7
118.06644	2.1
120.08208	5.8
122.06126	1.1
124.07706	4.2
130.06667	1.8
132.04568	3.5
134.06136	1.9
150.05598	4.0
152.07170	1.7
160.04080	2.6
160.07628	1.5
162.05629	4.0
174.05632	2.6
190.05095	1.5
209.10728	0.9
211.12451	1.9
220.61061	0.9
220.97853	0.8
221.10857	2.2
223.08809	1.0
223.12402	6.0
224.09549	0.8
225.10344	1.4
225.14012	1.1
233.10851	1.9
235.12445	5.2
237.10313	3.6
237.13956	2.3
239.11867	1.6
249.10266	1.1
249.14128	1.0
250.07619	1.1
251.08279	3.3
251.11952	1.9
252.08786	1.0
257.12964	8.3
261.10312	2.7
263.08151	2.5
264.09116	5.3
265.09821	11.5
266.10248	1.0
267.11362	8.1
268.11682	1.6
269.13019	1.8
271.14594	1.2
275.11920	3.5
276.09277	1.0
277.09857	3.6
278.10587	1.9
279.08490	0.9
279.11356	22.5
280.11761	1.8
291.11316	3.4
293.12933	1.2
295.11121	2.0
297.12476	15.2
298.12906	0.9
323.10837	0.9
326.16748	1.6
342.19730	1.0
354.20593	1.3
356.17633	1.8
368.17792	1.7
370.15604	1.9
384.17236	3.7
385.17761	1.3
386.18646	3.0
398.18814	4.7
399.18973	1.2
402.18222	3.7
416.19873	2.6
475.24899	1.1
481.25644	1.4
505.26044	8.8
506.26553	1.6
549.25018	35.6
549.33514	1.7
550.25336	6.9
577.72083	1.1
593.24078	38.0
594.24677	6.9
625.26813	100.0
626.27057	24.7
626.37341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12402	0.9
57.52342	0.8
57.68044	0.8
58.02975	8.8
59.03282	0.9
59.85225	0.8
61.67245	0.8
64.27694	0.9
70.31991	0.9
70.93890	2.3
70.94253	1.6
71.01385	7.0
72.00904	1.5
74.00686	1.3
74.02480	18.3
76.40676	0.8
81.04609	1.6
82.02984	4.7
82.89787	0.8
83.39964	0.8
84.00916	1.2
84.04556	1.8
85.04093	1.7
86.02470	8.4
86.99094	1.3
87.05650	4.8
90.00219	1.5
96.04607	1.4
96.96021	3.4
97.04073	7.0
98.02518	1.5
98.20134	1.6
99.05656	14.8
100.00422	3.9
101.07220	2.9
102.00182	2.7
102.05637	1.6
105.99733	4.2
107.06174	1.6
109.04071	2.4
109.07731	1.6
111.05663	2.0
111.23136	0.9
112.04061	2.1
113.03612	1.3
115.00398	22.5
115.52314	0.9
116.01795	1.4
120.01329	1.1
122.03709	1.1
123.05682	1.8
123.94820	0.8
124.04077	1.3
125.03597	13.0
127.05156	16.0
128.03566	85.0
129.03894	3.0
133.01462	73.0
134.01762	1.2
135.04535	14.4
135.05652	5.1
137.07265	2.1
141.03085	1.6
141.06734	4.4
143.04654	54.6
145.06186	4.7
146.04611	3.9
153.06764	6.8
157.06219	3.7
158.40100	0.9
159.07742	2.5
160.00784	17.3
165.99405	0.8
166.09875	2.5
167.04639	4.5
167.08284	3.0
169.06213	3.9
171.07870	0.8
175.01836	6.1
177.03421	3.8
179.03464	15.4
179.04680	12.5
180.03748	1.6
181.06171	2.1
183.11359	0.9
185.03998	1.3
185.05711	2.1
192.07829	2.0
197.05688	4.7
203.05057	1.6
208.07246	0.9
210.08868	16.1
226.08325	1.9
228.09975	1.0
242.07947	1.2
254.07813	16.7
255.08128	1.0
272.08878	46.7
273.09039	2.1
284.12521	1.0
286.05075	1.9
286.10349	4.2
288.06525	5.5
295.04630	3.1
304.06082	42.5
305.06409	3.5
306.07669	100.0
307.07910	8.2
318.07608	3.3
320.09207	22.9
321.09418	1.5
338.04913	3.0
352.06357	3.2
416.38605	1.0
496.11703	1.7
625.16290	19.6
626.16302	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	625.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26221	0.2
58.00571	0.2
59.01381	1.5
63.02397	0.3
65.00317	0.8
68.99815	0.8
69.03449	0.2
69.81737	0.7
69.82147	0.3
71.01385	0.9
72.99333	0.1
73.02948	0.7
83.01404	0.5
85.02963	0.3
87.00889	0.4
89.02449	0.3
91.03125	0.2
101.02460	0.6
107.01392	1.1
115.04003	0.2
119.01372	0.2
125.02446	0.3
128.73839	0.1
131.03526	0.4
131.04985	0.2
133.01442	0.2
133.02986	0.2
135.00896	0.3
137.02461	0.4
138.84843	0.2
143.03539	0.2
143.05034	0.3
145.05147	0.2
147.04466	0.2
149.02452	0.5
151.00391	4.2
152.00847	0.2
155.04991	0.2
157.02975	0.4
159.04559	0.7
161.02466	1.0
163.00386	0.5
163.04037	0.2
163.06126	0.3
164.01184	2.1
171.04541	0.4
173.02522	0.3
175.04034	0.5
177.01984	0.2
177.84244	0.1
178.99921	0.5
182.03636	0.2
182.60738	0.1
183.04520	1.2
185.02510	1.0
187.00391	0.6
187.04005	0.6
189.02036	0.4
193.01370	0.2
199.04022	2.4
201.01962	7.0
202.02342	0.3
203.03519	4.1
204.03909	0.3
205.07222	0.3
211.03990	0.4
213.02000	0.3
215.03485	0.6
217.01372	0.2
227.03502	4.5
228.03853	0.3
229.01456	0.4
230.02147	0.4
231.02998	5.4
232.03476	0.5
243.03024	2.8
244.03513	0.2
253.01367	0.2
255.02957	3.0
256.03320	0.2
257.01007	0.4
271.02472	58.4
272.02808	5.1
283.75232	0.2
287.01825	0.3
298.01028	0.5
299.01981	100.0
300.02313	9.1
300.05899	0.2
301.03342	0.8
316.02194	1.9
317.02875	0.5
398.13138	0.2
625.14111	4.3
626.14691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88569	0.5
57.17054	0.5
57.53447	0.4
61.69410	0.5
63.02404	0.8
64.14816	0.4
65.00316	1.2
76.55288	0.6
82.43429	0.5
83.01379	0.8
107.01386	3.4
109.02990	1.2
115.00358	0.6
124.01678	2.3
125.02464	2.5
133.01498	1.0
136.01686	1.0
137.02516	2.6
137.03387	0.5
151.00400	9.9
152.01189	2.3
163.00377	1.9
164.01183	4.0
167.50502	0.5
169.01488	0.7
178.81384	0.5
178.99893	12.3
192.00691	0.6
193.01459	0.6
193.14409	0.5
199.04057	0.5
201.01900	0.7
203.03444	0.6
204.04205	0.6
214.02728	6.8
215.03409	1.3
227.03568	0.8
229.86813	0.7
232.03804	0.9
242.02229	5.2
243.02982	4.1
255.02959	0.6
259.02469	6.3
260.02686	0.6
270.01682	6.7
271.02475	41.4
272.02881	2.8
277.26123	0.5
287.01971	21.9
288.02582	3.4
299.02072	4.8
300.02719	1.5
303.27603	0.5
316.02258	93.7
317.02866	21.1
318.03308	1.3
397.62106	0.5
526.28992	0.6
600.49609	0.5
625.14227	100.0
626.14551	16.1
640.78943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45103	0.2
57.97552	0.3
58.83408	0.1
61.10864	0.2
61.98841	0.9
71.48483	0.2
114.01553	0.2
143.98016	0.2
148.02292	0.6
168.10286	1.2
169.12372	0.4
181.53528	0.2
195.13905	0.5
218.15410	0.3
229.85419	0.2
234.14983	1.8
236.16554	36.5
237.16907	2.8
238.18115	100.0
239.18454	7.8
254.17595	6.6
255.17923	0.6
437.77432	0.2
460.80997	0.2
475.35391	42.2
476.35706	8.1
616.97156	0.2
624.38263	0.6
632.74377	0.2
652.70477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34016	1.8
55.35579	2.1
59.01381	90.4
61.98830	14.1
70.74242	6.0
71.01385	40.9
72.99311	2.5
73.02947	32.2
83.01391	11.4
85.02966	7.6
88.98843	2.0
89.02444	5.1
93.03471	4.0
95.01361	2.8
101.02455	32.1
107.52426	2.0
109.02898	2.5
113.02477	14.0
115.00395	16.2
119.03551	3.2
119.05009	2.5
121.02953	5.5
122.03761	13.1
123.04578	2.5
131.03462	3.6
132.02234	2.7
133.01460	23.5
134.03746	3.4
135.04556	12.7
136.01695	2.8
143.03513	5.7
149.02457	62.1
149.04547	7.6
150.03250	76.9
151.03754	2.8
161.04604	16.0
162.03227	2.7
164.04808	21.7
165.05588	70.1
166.05949	3.5
177.05608	2.9
179.07147	3.7
180.04288	5.7
195.05006	2.9
195.06648	34.0
221.06696	6.3
253.08665	3.5
259.13443	11.7
271.02493	2.2
283.09668	3.3
285.11209	2.4
287.01807	3.0
312.10117	18.8
313.10507	3.4
327.12390	100.0
328.12823	10.8
347.11322	5.7
375.14423	3.1
391.10342	13.5
419.10840	5.0
471.16440	12.1
472.17166	2.9
489.17560	3.4
531.18689	17.3
537.19745	5.3
579.20801	37.3
580.20917	6.7
622.37158	2.9
623.13055	6.8
623.27124	2.9
624.39618	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	624.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92827	0.4
57.03448	1.2
58.02974	4.7
59.01384	3.7
61.98825	3.4
63.02402	1.2
65.00312	3.0
66.03486	0.5
70.02962	0.7
71.01389	5.1
71.72899	0.4
71.73337	0.6
72.00934	0.9
72.99319	0.8
73.02952	1.2
74.02478	10.4
75.00877	0.6
81.04585	0.6
82.02999	0.6
83.01380	2.3
85.02966	0.8
86.02488	3.5
86.06132	0.7
86.99079	0.8
87.00882	0.8
87.05652	2.3
88.17491	0.4
89.02465	0.8
90.00211	1.2
91.01918	0.4
91.42006	0.4
92.10612	0.4
95.01381	0.4
97.04091	1.0
99.05651	8.0
100.05946	0.4
101.02470	1.7
101.07217	1.7
102.05628	1.4
105.01880	0.4
106.06632	0.4
107.01406	5.3
109.02966	2.0
109.04043	0.8
109.07735	0.5
111.00921	0.7
111.05657	0.6
112.04067	0.9
113.02456	0.6
113.03615	0.7
115.00397	7.9
116.00780	0.4
116.01779	0.9
116.92898	0.4
119.01373	0.9
119.05039	4.5
120.01289	0.8
120.41830	0.4
121.02962	0.8
122.06174	0.5
123.00880	0.5
123.05678	0.8
124.01697	1.1
124.04105	0.5
125.02466	8.3
125.03467	0.9
127.05154	1.7
128.03555	25.6
129.03882	0.9
131.04596	0.7
133.01453	19.2
134.01764	0.9
134.03767	1.6
134.05998	0.4
135.04536	2.9
135.05692	2.3
136.01678	3.5
136.03996	0.4
136.04919	0.7
136.07718	1.9
137.02477	2.3
137.03362	0.4
137.07220	0.5
141.06702	2.2
143.04640	33.4
144.01306	0.5
144.05034	0.8
145.06201	1.4
146.04640	2.3
147.00900	0.8
149.02466	1.4
149.07216	0.5
150.03229	1.0
151.00394	22.2
151.30490	0.4
152.01180	4.7
153.06693	2.8
160.00768	10.1
161.02431	0.4
161.04662	0.4
161.06226	0.5
163.00430	5.4
163.04022	6.8
164.01169	7.7
165.01971	2.6
165.05544	0.6
166.09862	1.4
167.04645	2.2
167.08240	1.2
169.01469	2.8
170.02910	0.5
171.04218	0.5
171.07829	0.4
175.02551	0.5
175.03850	0.8
177.01967	0.7
177.03368	3.3
178.99883	26.7
179.03366	1.3
179.04704	6.0
180.03827	0.6
181.06340	0.8
185.05768	1.0
187.03920	0.6
189.01897	0.5
190.99818	2.4
192.00668	1.8
192.07784	1.1
193.01410	1.8
193.05075	2.4
195.06636	0.5
197.05750	0.9
199.04004	1.5
201.01912	2.7
203.03566	0.8
206.99306	0.5
209.00908	1.2
210.07034	0.7
210.08849	5.8
214.02754	1.2
215.03554	0.7
218.19455	0.5
219.02933	0.5
227.03546	2.1
228.09860	0.5
231.02802	0.5
243.02985	3.0
243.10313	0.8
244.10530	0.6
254.07825	7.5
255.02937	2.9
255.11244	0.9
257.00882	1.3
258.01291	1.6
259.02408	1.4
261.00391	1.2
262.00644	0.6
269.00839	0.5
270.01529	1.5
271.02475	15.4
272.08862	13.3
273.04251	0.5
273.09241	0.7
279.05099	1.1
287.01978	3.0
288.06613	5.6
297.00394	0.7
298.01077	1.7
299.01987	22.1
300.02780	6.9
301.03589	5.9
305.04453	0.5
306.07657	100.0
307.07932	7.2
316.02255	18.1
316.08115	0.5
317.03033	19.6
327.12283	0.7
328.13074	0.7
333.09180	1.5
360.07935	0.9
392.10635	1.0
405.45010	0.4
463.08853	6.1
606.18756	0.8
624.12433	4.0
624.19843	0.5
625.14191	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	623.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26479	0.2
59.01375	1.8
65.00336	0.8
69.44352	1.0
69.44771	2.1
71.01421	0.6
73.02960	0.7
82.96239	0.3
83.01388	0.5
89.02450	0.4
91.01908	0.3
98.99368	0.3
101.03962	0.5
107.01417	1.0
107.61531	0.3
108.02245	0.4
113.02467	0.3
124.01759	0.3
125.02482	0.4
133.01433	0.3
135.00879	0.5
145.02937	0.5
147.04546	0.4
148.01732	0.4
151.00388	3.7
155.05087	0.4
159.04575	0.6
163.00429	1.0
163.04062	0.3
164.01146	0.5
171.04538	0.4
175.04019	0.4
178.99864	0.5
183.04564	1.0
185.02504	0.4
187.04031	0.6
190.06374	0.5
190.66765	0.3
191.07216	0.3
192.00626	0.3
199.03995	4.0
200.04463	0.4
201.02031	0.5
203.03542	0.6
211.04053	0.8
215.03484	2.2
216.04240	0.4
226.02705	0.8
227.03502	4.7
228.03926	0.4
242.02222	3.1
243.02975	24.3
244.03574	3.7
245.04454	0.4
254.02145	1.4
255.02971	16.5
256.03482	1.9
257.04593	3.0
259.06094	0.8
270.01657	3.1
271.02469	43.3
272.03024	6.5
273.03632	0.4
285.04028	6.5
286.04828	2.1
287.05609	2.0
299.01981	42.4
300.02734	40.7
301.03140	3.3
313.03506	0.7
314.04318	35.4
315.05084	100.0
316.05450	9.7
357.06061	0.8
389.16156	1.5
519.31494	0.6
579.24689	0.4
622.38586	0.7
623.16290	93.2
624.16644	19.2
624.25171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1633
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
54.54143	0.3
55.65767	0.3
56.47990	0.3
57.46140	0.3
59.01381	3.1
61.98827	1.2
63.02424	0.5
65.00325	1.1
69.45675	0.8
69.46091	2.8
71.01400	1.9
72.99329	0.3
73.02953	1.3
83.01403	0.8
85.02981	0.4
87.00838	0.5
87.12631	0.3
88.98824	0.4
89.00291	0.3
89.02444	0.4
98.20649	0.7
101.02460	1.4
101.04025	0.5
107.01427	1.2
109.02969	0.4
115.00395	0.8
119.05057	0.4
133.01463	1.2
137.02484	0.5
143.05133	0.6
145.02957	1.2
147.00980	0.3
150.03299	0.4
151.00377	5.3
151.07553	0.3
152.01086	0.7
154.30537	0.3
155.05017	0.8
165.01964	0.4
165.05571	0.7
169.01486	0.5
169.02922	0.4
171.04524	1.1
178.99878	2.3
183.04532	1.8
185.02356	0.5
187.03990	1.0
195.06607	0.4
199.04027	7.0
201.01955	1.2
203.03508	1.0
211.04037	0.5
215.03520	3.4
226.02641	0.8
227.03497	6.3
228.03940	0.6
229.01538	0.4
242.02216	4.8
243.02980	31.2
244.03391	2.6
255.02959	10.0
256.03513	1.0
257.04562	6.3
258.04883	0.5
270.01706	6.6
271.02460	39.2
272.02844	3.3
285.04034	12.4
286.04724	4.4
287.05466	0.9
299.01981	67.6
300.02536	12.1
301.03165	0.7
313.03647	1.2
314.04321	77.8
315.04990	18.4
316.05518	1.2
350.94592	0.4
357.05746	0.5
435.05444	0.5
459.09479	1.7
477.10580	0.4
503.11676	0.5
622.38171	1.1
623.16290	100.0
624.16595	15.2
624.39355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33098	2.2
58.71666	2.4
59.01392	12.3
68.78779	2.2
71.01391	20.9
71.72054	2.3
71.72429	4.2
74.69975	2.7
87.00919	2.6
91.69241	2.2
105.01959	2.4
115.00398	28.2
121.02963	6.0
133.01447	64.4
133.02991	7.5
134.03748	10.9
135.04532	22.7
136.01678	25.0
137.02490	3.6
144.28256	2.7
149.02470	5.3
149.06105	5.0
151.04027	75.4
152.04440	3.7
161.90240	2.6
165.04066	14.1
165.12932	2.8
177.02032	2.5
178.02640	3.5
179.03505	21.6
193.01439	3.4
195.03088	3.0
211.02768	4.6
211.06119	100.0
212.06578	3.8
219.35799	2.4
327.07281	17.0
494.83606	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	623.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
63.02399	0.7
65.00327	2.1
67.03025	0.8
69.03457	0.8
70.02966	0.8
71.01378	5.7
71.73290	0.7
72.99310	0.9
73.02960	2.7
74.02478	3.2
75.00876	0.5
83.01412	1.4
84.00929	0.5
85.02959	1.9
87.00877	2.9
87.05647	0.6
88.98811	1.3
89.02454	1.2
93.03420	0.5
93.04588	6.5
96.00372	0.5
96.00918	3.2
96.96068	0.5
98.02487	0.5
99.00849	0.5
101.02457	2.7
105.04646	0.5
107.01415	3.1
108.02197	0.5
108.05681	1.8
109.02985	1.3
110.02497	1.0
110.47728	0.5
111.00887	0.9
112.02785	0.6
113.02465	0.8
113.03580	1.9
114.02038	0.5
115.00378	4.2
115.04041	0.8
119.03517	0.7
119.05025	2.4
119.82560	0.5
120.01295	0.6
123.05660	0.5
124.04053	2.0
125.02444	1.7
128.03563	0.6
129.03464	0.6
129.10356	0.8
130.08728	0.7
131.03511	1.5
131.04897	1.0
133.01454	6.8
133.02969	0.9
134.03691	1.3
135.00919	3.7
135.04584	2.7
136.05034	0.7
138.05586	0.6
140.07153	0.5
141.03459	0.8
143.03514	1.5
143.04846	0.9
143.11902	2.0
145.02954	1.5
149.02455	2.1
149.06207	0.6
150.03212	1.3
150.06776	0.6
151.00377	8.9
151.08783	1.8
153.10349	0.7
155.05023	0.7
155.08266	2.1
157.02989	0.9
159.04559	0.9
161.02463	1.1
161.04532	0.7
163.00357	2.5
163.03999	3.6
164.01231	3.1
164.04529	1.0
165.05557	1.4
165.10312	1.2
167.04582	1.1
169.01505	1.1
169.02962	2.4
169.09853	1.5
171.04503	0.9
173.02419	1.8
175.03954	1.0
177.01961	1.4
178.99879	4.6
179.03426	0.5
183.11398	3.2
185.02408	1.6
187.04070	0.8
187.10880	1.7
188.07063	2.4
188.11974	2.9
189.01872	0.6
191.03503	0.8
193.01424	1.1
193.05087	0.7
197.02538	2.9
199.04044	1.5
200.14078	1.1
201.01894	3.3
203.03510	0.8
204.11414	0.9
205.05092	0.6
205.07178	0.9
205.14645	0.5
213.01962	4.3
214.02467	0.7
215.03526	3.2
217.01401	2.9
218.01917	0.6
219.02884	0.7
225.01923	3.7
226.11996	0.5
227.03447	0.7
229.01425	1.0
231.12523	2.6
232.03781	0.5
232.10889	3.1
236.14070	1.1
241.01312	4.1
242.02003	0.8
243.02959	5.0
243.10309	0.8
244.03447	0.6
244.10928	1.4
245.00903	1.4
245.13994	3.5
255.02974	1.0
259.02512	3.4
259.13260	1.4
262.11896	2.0
263.15109	1.2
267.06540	0.8
269.00888	75.9
270.01294	6.7
271.02454	2.5
271.09662	0.5
280.13022	1.2
280.17679	1.0
282.09018	1.0
287.01950	16.9
288.02426	1.9
293.08167	0.5
297.00400	100.0
297.11276	2.0
298.00812	11.1
299.01971	12.2
300.02621	1.2
301.03473	1.6
303.12323	1.4
306.07687	1.8
312.09863	0.7
315.01447	13.6
316.02081	4.5
317.02774	1.0
324.16885	0.7
327.12292	2.7
329.69241	0.6
345.13461	1.3
347.11411	1.0
375.14313	0.9
391.10553	2.8
419.10944	0.9
454.39951	0.5
508.28497	0.6
544.28772	0.8
588.27985	19.6
589.28253	1.6
605.30560	12.7
606.30170	1.7
623.12640	75.1
623.30426	8.1
624.13007	13.5
624.29913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03445	2.8
58.00589	1.3
58.01457	0.4
59.01378	100.0
60.01710	1.3
61.98830	5.3
64.22546	0.5
66.39369	0.5
69.03468	1.9
69.47187	0.5
69.58006	0.6
69.58408	4.1
71.01384	42.2
72.01726	0.9
72.99323	2.9
73.02949	51.2
74.03327	0.7
75.00896	1.1
81.03448	0.6
83.00905	0.8
83.01394	14.6
83.05032	1.2
85.02963	8.5
87.00862	2.5
87.04525	0.8
89.02455	9.8
93.03476	0.7
95.01425	2.2
96.68977	0.5
97.02974	0.9
97.06616	0.8
98.20580	0.7
99.00871	1.2
101.02454	47.5
102.02778	0.8
109.06602	0.6
111.08191	0.6
112.01647	0.7
113.02464	17.1
115.00386	1.6
116.92913	1.0
119.03509	5.2
119.05046	1.4
123.08159	0.6
125.02483	2.1
131.03522	4.6
133.01480	1.4
134.03795	0.6
137.09766	0.8
138.18745	0.6
143.03526	4.6
147.43274	0.5
148.74493	0.5
149.04570	8.3
151.00374	0.9
151.11311	0.7
155.03577	1.5
155.10732	0.9
159.02983	0.8
161.04578	15.8
163.04031	0.7
166.02744	2.2
175.02512	1.2
181.05147	2.4
193.05086	0.6
201.15190	0.6
203.05684	1.8
221.06645	3.0
236.16740	0.5
238.18375	0.7
256.19244	1.0
257.17752	0.9
257.99561	0.5
267.19839	0.9
309.07764	0.7
313.23840	0.7
337.23837	0.7
339.12546	1.1
355.24863	4.1
373.26251	1.0
387.11111	1.1
389.11758	0.6
399.66016	0.5
411.23883	0.5
417.15552	5.0
418.16006	0.7
429.25131	1.4
481.28055	0.9
486.00287	0.6
499.29440	1.9
517.30139	23.2
518.30511	3.9
531.34271	2.5
535.31128	5.2
535.38239	0.5
536.31219	0.9
561.35278	0.7
577.32556	2.0
621.37488	1.6
622.38934	0.7
632.48413	0.6
635.12561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
62.40317	0.7
71.01388	18.5
71.72222	0.9
71.72582	1.0
72.99312	1.2
77.11582	0.7
78.95923	1.6
87.00921	1.5
88.98833	2.5
89.02438	1.3
93.03487	1.2
96.96031	1.9
101.02449	0.8
109.03020	1.1
115.00391	22.9
116.92880	1.4
119.05048	44.8
119.27769	0.8
120.05367	1.8
133.01459	52.9
134.01854	1.7
134.03738	1.0
135.04552	4.9
163.04033	100.0
164.04366	6.7
177.01959	2.0
178.02290	1.3
179.03516	2.9
180.00693	1.3
193.05179	1.0
209.04677	0.8
222.31758	0.8
255.10103	1.8
279.05032	5.4
295.04431	1.0
349.91949	0.8
357.10001	4.9
389.12177	1.1
409.27881	0.8
415.12479	3.4
505.13525	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	619.2578
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98830	3.2
68.99820	1.2
70.29951	4.9
84.69796	1.1
116.92832	1.3
127.62613	1.1
146.96645	1.4
153.24013	1.0
209.92693	1.3
273.26956	1.2
346.80530	1.2
401.14114	2.1
415.15500	3.2
416.16370	11.6
417.16910	3.6
429.17111	1.7
452.01993	1.3
459.18231	100.0
460.18567	17.7
473.19724	14.9
474.20532	6.3
501.19461	1.8
503.16983	3.2
518.19543	41.4
519.19916	9.4
532.21039	7.4
533.21906	88.3
534.22205	17.9
587.22632	6.2
588.23053	1.8
606.07086	1.2
619.25714	86.2
620.26031	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	619.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92584	0.4
55.01862	1.0
57.03450	1.7
58.00587	0.5
59.01379	92.2
60.01714	1.1
61.98832	11.0
69.43268	5.0
71.01388	13.2
71.05032	0.9
71.26675	0.5
72.01702	0.6
72.99327	0.7
73.02953	7.0
75.00867	1.3
78.95905	0.5
79.05530	1.0
83.01400	2.0
83.05035	1.2
84.75793	0.5
85.02959	5.7
85.06658	0.5
86.00132	1.0
87.00878	5.8
87.04537	0.7
88.98821	0.8
89.02440	3.3
95.01396	0.9
95.05045	0.7
97.02956	1.3
97.06606	1.6
98.19911	1.1
99.00905	1.6
99.04475	0.7
101.02456	9.0
109.29423	0.5
113.02464	6.4
115.00402	0.7
115.07674	0.8
119.03514	1.4
119.98725	0.5
123.08199	0.6
123.55478	0.5
125.02483	0.6
128.03552	0.8
129.01971	0.6
130.08804	0.8
131.62871	0.6
137.09738	0.6
138.06805	0.5
139.07666	2.2
141.01918	0.5
141.05605	0.9
143.03600	0.7
143.04642	0.9
149.04691	0.7
161.04599	2.8
175.02435	1.1
193.04948	0.6
203.08310	0.6
221.15477	1.4
235.35239	0.5
240.02449	0.5
246.05246	0.5
250.15790	1.7
267.39328	0.5
275.20105	3.7
276.20572	0.6
277.21689	0.6
291.23123	0.5
291.37756	0.5
293.21262	6.7
294.21494	0.5
295.22809	0.7
311.22192	1.0
365.23483	0.6
371.24527	1.7
387.11093	0.9
387.16296	0.5
437.25360	4.3
455.26569	3.9
456.27127	0.7
497.27182	0.7
499.28738	0.8
515.31824	0.8
533.29279	2.5
557.29803	1.1
559.35156	0.8
575.30774	100.0
576.31067	20.0
619.31195	3.5
620.31897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.8
69.73898	7.9
71.01387	28.9
72.99307	3.1
73.02962	1.6
85.33202	1.1
87.00850	1.4
95.70087	1.2
101.02451	1.7
113.02454	1.5
115.00398	36.8
116.00703	1.5
117.03481	2.9
119.05042	13.6
121.02984	3.1
133.01456	100.0
134.01794	2.8
134.03772	36.6
135.04126	1.1
147.04567	1.6
149.02483	10.2
149.06096	4.7
149.26373	1.1
150.03168	1.0
157.00270	1.1
159.04533	1.1
163.04045	18.7
164.04840	8.7
178.02737	4.4
193.05087	73.5
194.05431	4.6
208.03760	1.7
223.06146	18.4
224.06532	1.4
279.05185	2.5
281.08072	1.4
282.09128	1.1
309.06192	1.4
325.10818	1.1
334.86813	1.1
343.11865	2.9
387.10846	18.6
388.11102	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	619.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.1
69.95565	0.9
69.95973	1.5
71.01389	14.2
72.99319	2.4
75.99467	0.4
78.95905	0.8
82.91469	0.4
83.01398	0.4
85.02975	0.9
87.00891	0.7
89.02452	8.5
90.02760	0.3
95.01379	0.4
96.96001	0.6
101.02447	4.2
107.05037	0.6
113.02440	2.3
115.00391	27.7
116.00703	0.5
119.03516	3.1
133.01453	100.0
134.01782	2.1
134.03777	1.8
135.04539	22.6
136.04828	0.6
161.02534	0.4
163.04034	0.4
175.91695	0.3
177.01955	0.6
179.03520	22.1
180.03850	1.2
295.04590	4.3
323.13477	30.1
324.13812	2.1
368.93076	0.4
387.10825	2.2
461.61682	0.4
482.48697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70427	0.8
54.11432	0.7
59.01371	7.0
61.98831	2.6
65.93092	0.9
71.01375	3.3
73.02958	1.8
77.52052	0.9
82.91419	0.9
85.03033	0.9
90.93356	0.8
101.02444	1.9
124.36395	0.9
127.11322	1.1
138.38837	0.9
145.81491	0.9
191.07838	1.1
289.25378	3.7
307.26627	6.6
323.25931	0.9
325.27441	12.5
326.27786	1.7
333.24454	4.2
351.25366	10.9
369.26480	100.0
370.26785	15.5
383.28027	11.3
411.27472	2.8
488.06036	1.0
524.45782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87650	0.2
59.01379	4.6
61.98841	1.1
65.00333	0.3
66.65939	0.2
69.60867	2.3
71.01390	7.3
72.99312	0.7
73.02969	0.7
78.95912	0.5
83.01411	0.3
85.02956	0.7
85.33002	0.2
87.00873	0.5
88.98849	0.5
89.02449	1.7
91.01916	2.0
95.01419	0.3
96.99329	3.6
101.02428	1.3
108.02186	0.8
109.02974	2.1
113.02472	0.8
115.00388	9.3
117.03480	0.7
119.03524	0.6
119.05077	0.3
120.01284	0.3
121.02970	0.6
123.04535	5.5
124.01737	0.3
128.03549	0.4
133.01450	14.7
134.03754	13.2
135.04030	0.6
137.02434	0.8
145.01915	0.4
145.02948	1.8
146.03770	5.0
147.04553	1.8
148.01680	0.7
148.05348	0.5
149.06110	2.0
150.03206	0.3
153.05579	0.4
158.03746	5.3
159.04543	8.7
160.01683	0.6
160.04967	0.4
161.04738	0.4
161.06102	2.4
163.04002	1.8
173.06093	4.1
174.03233	0.4
174.06345	0.5
175.02522	0.4
175.04004	0.6
178.02695	1.7
179.03407	0.3
179.05647	0.3
187.04077	0.5
191.10767	0.3
193.05090	7.7
194.05362	0.6
205.12321	0.5
233.04599	0.4
239.07054	0.3
241.05022	1.0
250.06371	0.5
256.07410	0.4
265.08618	0.3
266.05771	1.4
267.06622	2.5
268.07248	0.9
269.08139	0.7
271.09732	1.6
277.05057	0.4
280.07379	0.6
281.08176	6.5
282.08832	3.0
283.09686	1.9
284.10565	2.0
293.08096	0.5
294.05386	0.5
295.06134	5.8
295.09543	0.5
296.06467	0.6
297.11319	0.7
302.44049	0.2
309.07654	1.1
310.08478	7.8
311.08929	0.7
325.10809	6.3
326.11353	0.6
337.06964	0.4
339.04996	0.5
343.11829	0.8
354.07477	1.7
355.07791	0.3
369.09772	3.5
370.10199	0.5
387.10855	100.0
388.11215	12.3
388.15149	0.2
397.77731	0.3
455.19199	0.4
485.20361	0.4
503.11731	0.4
515.24725	0.3
619.28467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02734	0.9
55.01872	4.2
57.03449	5.3
58.00577	2.6
59.01379	100.0
61.98832	18.5
64.89814	1.1
69.03462	2.0
71.01387	55.8
71.05032	1.5
71.72935	1.6
72.01727	1.1
72.99313	3.0
73.02950	23.0
74.02471	1.2
75.00885	2.1
78.95905	4.4
80.96461	1.1
81.03464	14.1
83.01401	13.8
83.05021	17.9
85.02958	56.8
87.00870	5.2
87.04504	1.3
88.98813	2.3
89.02449	22.3
90.66296	1.0
94.02998	3.0
95.01393	4.1
96.96057	5.3
96.96962	2.6
97.02943	3.0
99.00895	13.5
99.04536	13.5
101.02453	35.8
103.04017	1.5
108.02185	3.1
109.01758	1.1
109.02967	21.2
109.06628	1.5
111.00894	2.2
113.02469	21.2
114.01984	2.4
114.05613	1.2
115.00359	7.1
115.04034	1.6
116.92873	2.1
119.03530	8.1
119.05051	1.1
120.01288	1.9
123.08161	1.4
125.02457	2.5
127.04034	59.4
128.03548	2.6
128.04388	2.0
130.08714	1.6
131.03517	3.7
133.01451	4.0
135.04610	1.4
138.05589	1.7
139.54022	1.3
140.33229	1.2
143.03539	9.2
143.04616	1.7
145.05087	74.1
146.05405	2.3
147.02979	1.0
147.08208	1.1
147.96236	1.2
149.04593	8.1
152.07193	1.0
153.09233	3.3
154.99881	19.1
155.03549	1.5
156.00211	0.9
161.04581	17.7
163.11285	1.2
175.02486	4.7
179.05614	6.5
184.07213	1.1
187.06104	1.1
187.11357	1.5
203.05672	1.9
205.03421	1.4
205.12280	6.9
211.06166	1.3
221.06697	9.1
223.13379	1.6
224.12840	2.6
227.12915	1.6
229.07043	3.1
281.17688	1.1
287.14993	2.6
301.20236	1.3
309.28745	1.1
328.66605	1.1
339.15530	3.1
369.19055	4.7
369.22943	2.4
382.14114	1.1
384.59695	1.1
456.74756	1.3
513.23047	6.0
531.24335	12.4
532.24518	2.2
573.25458	16.2
574.25830	2.0
617.24530	4.7
617.33636	3.6
618.35907	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	615.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
57.03939	0.5
58.00595	0.6
59.01379	22.3
61.98834	40.7
65.22157	0.5
67.06908	0.5
68.42752	0.6
68.99818	0.6
69.03482	0.7
69.50818	4.2
69.51237	1.3
71.01391	12.7
72.01728	0.7
72.99308	1.4
73.02946	9.2
75.00882	0.8
78.95934	0.7
83.01393	5.9
85.02955	2.2
87.00893	3.7
88.98829	0.7
89.02467	4.3
92.11671	0.6
96.00922	0.8
99.00894	4.5
99.04517	0.6
100.01677	2.5
101.02466	7.0
102.05595	0.6
106.06000	0.6
111.00912	7.4
111.08218	0.5
113.02477	3.7
113.99610	36.7
115.00401	18.3
116.00733	0.7
119.03561	1.3
119.05027	0.9
125.02428	0.7
127.05131	0.7
128.01172	4.0
128.03554	2.2
133.01459	0.7
134.03740	1.9
135.02977	0.6
135.04565	1.0
137.02483	0.6
139.00409	2.7
143.03564	0.9
149.04581	1.4
149.06131	1.2
150.03333	0.7
154.99890	1.0
156.00671	38.7
157.01277	2.4
161.04596	1.9
163.03880	0.6
174.01714	100.0
175.02412	9.5
187.98116	0.5
193.05066	3.8
211.06119	0.9
221.06673	0.7
231.13989	1.0
268.87021	0.6
277.43277	0.6
287.16602	2.1
401.32391	0.6
418.17404	0.6
471.22333	3.0
494.19287	2.4
509.23807	1.9
511.21808	12.5
512.22034	1.8
513.30914	0.7
535.22095	0.6
553.23047	1.2
571.27191	1.7
572.21289	1.1
591.85614	0.7
597.34088	0.7
615.25183	0.8
615.34851	5.4
616.34729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2318
Annotation	Chlorophyllide
Peak:m/z	Relative Intensity
59.01383	6.8
61.98837	1.5
69.58624	0.5
69.59033	1.9
71.01369	0.9
73.02961	0.4
80.01446	0.3
80.05069	7.1
84.83624	0.3
85.02977	0.3
87.00898	0.3
90.03481	0.3
101.02477	0.5
104.05061	1.2
105.09003	0.3
106.06641	15.7
107.06963	0.5
108.04567	12.5
108.08202	4.3
115.00365	0.3
116.92872	0.2
120.04572	0.8
121.05376	1.0
122.06136	5.3
124.07703	7.3
128.03561	0.5
132.04575	12.8
132.08211	1.8
133.04935	0.4
134.06140	7.1
134.09772	2.9
135.06567	0.3
136.07701	24.3
137.08003	1.1
138.05859	0.3
140.07202	0.5
143.04648	0.5
146.06155	0.7
147.03363	0.3
148.04028	0.3
148.07686	1.9
150.05623	2.4
152.07199	4.6
160.07664	0.9
164.03593	0.4
165.04324	0.3
168.06837	2.3
174.05608	0.5
176.03525	0.8
178.05121	5.1
179.05493	0.4
183.09285	2.9
183.86598	0.3
194.04623	0.5
196.06291	0.3
196.19444	0.3
197.10764	0.5
199.12463	2.1
204.06662	0.5
209.07210	0.4
210.07967	0.7
211.08821	1.3
212.10829	0.8
213.10307	3.2
213.14003	0.8
214.12379	1.1
217.36293	0.3
223.12462	0.3
224.09538	4.2
225.10298	5.5
226.10884	0.6
227.08267	0.7
228.09041	0.8
229.11325	0.4
229.13412	0.5
237.10184	0.4
239.08247	0.4
239.11884	5.5
240.12256	1.0
241.09843	1.8
241.13484	2.2
242.10588	1.9
243.11372	0.3
249.10326	0.5
253.09708	0.4
254.07925	0.3
255.11380	5.2
256.08606	0.3
256.11636	0.6
257.12946	72.4
258.13278	5.8
267.11362	1.7
283.10852	1.6
285.12448	4.0
299.10422	1.3
299.13782	0.5
301.11914	0.9
306.07748	0.9
311.10312	0.9
327.09854	0.7
329.11407	3.6
330.12109	0.5
344.13919	0.3
360.13034	0.3
364.16583	1.2
371.08832	0.3
374.18784	0.7
376.16510	0.4
388.16943	0.3
390.18250	1.7
392.19815	4.3
393.20032	0.6
402.18320	1.0
418.16803	0.6
418.22076	1.9
419.21942	0.4
429.46802	0.3
436.18777	53.1
437.19077	7.8
462.20377	5.5
463.20450	0.7
467.15311	0.3
467.20758	1.6
497.22116	0.7
509.21826	0.9
525.25220	0.6
551.22766	1.7
552.23022	0.5
569.24097	29.5
570.24353	5.7
595.22211	3.2
596.22412	0.5
613.23181	100.0
614.23486	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	613.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.98835	0.9
66.03475	0.2
69.69456	0.4
69.69891	0.4
71.01385	0.4
72.99315	0.1
73.02969	0.2
80.05063	9.0
83.01422	0.2
84.04559	0.2
85.02977	0.2
87.00888	0.1
88.98827	0.2
89.02461	0.1
90.03506	0.4
92.05086	0.3
94.06634	0.8
96.00939	0.1
96.08192	0.3
97.01700	0.4
101.02447	0.3
102.75749	0.1
104.05090	1.1
105.03446	0.2
106.06641	20.4
107.03813	0.1
107.06966	0.6
108.04568	17.5
108.08206	6.0
109.08527	0.2
110.06112	0.2
113.02437	0.2
115.00446	0.3
116.05050	0.2
118.03012	0.2
118.06637	0.5
120.04558	0.7
121.05338	1.4
122.06139	7.6
123.03259	0.2
123.06470	0.3
124.04043	0.2
124.07700	9.7
125.08048	0.3
127.80283	0.1
130.06633	0.2
132.04575	15.3
132.08192	1.8
133.04779	0.5
134.06142	9.3
134.09773	4.0
135.06509	0.5
136.07698	33.5
137.08072	1.2
138.05656	0.3
140.07195	0.4
145.05328	0.2
146.06149	0.7
147.03291	0.3
148.04034	0.5
148.07713	2.4
150.05614	3.5
150.09297	0.3
151.05962	0.1
152.07188	6.3
153.07544	0.2
154.99959	0.2
158.06125	0.2
160.03920	0.1
160.07693	0.8
162.05563	0.1
164.03474	0.1
165.04338	0.7
168.06837	3.1
169.07483	0.2
171.09288	0.2
172.07735	0.2
174.01746	0.2
174.05559	0.5
175.02493	0.3
176.03569	0.9
178.05115	5.4
178.08733	0.2
179.05492	0.4
181.07797	0.1
182.06070	0.2
182.08432	0.2
183.09303	4.6
184.07654	0.1
184.09830	0.4
185.08461	0.1
194.04651	0.4
195.09241	0.2
197.07147	0.1
197.10855	0.7
198.09409	0.1
199.12421	2.4
200.12622	0.2
201.08064	0.5
204.06691	0.5
209.07272	0.5
210.07880	1.1
211.08788	1.4
212.09280	0.2
212.10919	1.4
213.06725	0.4
213.10347	4.0
213.13858	1.2
214.08893	0.2
214.10661	0.2
214.12448	1.2
223.08881	0.5
223.12445	0.2
224.09540	4.3
225.10330	6.6
226.07318	0.1
226.10912	0.9
227.08246	1.1
227.11800	0.3
228.08905	1.0
228.12605	0.2
229.13454	0.5
234.07903	0.2
237.10289	0.2
239.08429	0.7
239.11902	7.7
240.08781	0.2
240.12279	0.5
241.09859	1.5
241.13454	2.6
242.10571	1.8
242.13329	0.1
242.13782	0.1
243.11143	0.3
249.10335	0.9
251.08316	0.1
252.08943	0.1
253.09799	0.4
255.11395	5.5
256.11917	0.8
257.12949	89.3
258.13266	7.1
265.09790	0.4
267.11356	2.2
268.11801	0.2
281.09390	0.2
281.13031	0.3
283.10843	2.0
285.12445	4.8
286.12674	0.4
287.10403	0.1
293.09512	0.1
299.10379	1.9
299.13980	0.7
301.11923	1.4
302.12479	0.2
311.10333	0.9
311.13431	0.2
325.11920	0.3
327.09882	1.0
329.11450	4.5
330.12000	0.6
330.95502	0.1
344.14072	0.3
355.09424	0.1
360.13562	0.2
364.16629	1.8
365.16983	0.2
369.58072	0.1
371.08701	0.2
372.13284	0.2
372.17429	0.2
373.14532	0.2
374.18774	0.8
376.16626	0.3
388.16620	0.2
390.13528	0.2
390.18219	2.1
391.18497	0.4
392.19824	4.4
393.19971	0.6
402.18091	1.0
403.18738	0.2
416.15964	0.2
418.21838	2.8
419.21683	0.4
432.15659	0.4
436.18762	59.9
437.19095	9.0
444.19327	0.4
445.19901	0.1
462.20337	5.3
463.20871	0.9
467.20819	2.0
468.21005	0.4
479.21426	0.1
483.23944	0.3
496.20804	0.1
497.21902	1.0
507.24240	0.2
509.21982	0.8
510.22125	0.2
523.20142	0.5
525.24982	0.9
526.25421	0.2
541.20538	0.2
546.20941	0.1
551.22931	1.5
552.22998	0.5
553.20868	0.3
569.24072	29.4
570.24414	5.3
595.21991	2.7
596.22253	0.6
613.23138	100.0
614.23462	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	611.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01414	7.4
72.99303	2.2
86.02546	0.6
89.02490	0.9
115.00391	31.2
128.03453	0.7
133.01451	100.0
134.01781	2.7
134.03741	1.8
135.04546	25.5
136.04819	1.0
143.06129	0.6
179.03516	26.5
180.03816	1.8
295.04764	4.6
306.07776	1.1
409.72452	0.7
457.58817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27261	0.1
58.00590	0.1
59.01381	7.3
61.98831	0.7
63.29238	0.1
67.01870	0.1
67.14204	0.1
69.03477	0.3
69.72904	0.8
71.01392	3.6
72.01736	0.1
72.99319	0.2
73.02953	4.2
75.00892	0.1
81.03470	0.3
83.01395	1.1
84.21944	0.1
85.02953	0.5
87.00884	0.1
88.98850	0.1
89.02454	0.4
95.01355	0.6
97.02962	0.2
99.37503	0.1
101.02460	3.3
109.02976	0.6
111.00906	0.3
113.02473	1.1
115.00397	0.3
119.03519	0.3
120.01341	0.2
122.00175	0.1
123.00906	3.0
123.04532	0.1
124.01604	0.1
125.02467	1.4
131.03519	0.2
133.01433	0.2
134.03766	0.4
135.00902	0.5
135.04539	0.3
137.02449	1.1
138.03221	0.1
139.00407	0.5
143.03572	0.2
149.04565	0.3
151.00381	2.2
151.03970	0.2
152.01189	0.5
152.04822	1.6
153.01968	3.2
154.02315	0.2
161.02531	0.2
161.04628	0.5
162.03246	7.1
163.00471	0.5
163.03694	0.4
166.02695	0.2
167.03482	0.4
167.07182	0.1
177.05586	3.4
178.02783	0.7
178.05910	0.2
179.03517	0.2
180.00528	0.1
180.04230	0.1
181.01447	45.9
182.00298	0.2
182.01799	2.2
184.03748	0.6
193.05087	0.4
194.02228	0.2
195.03029	1.3
196.03786	66.3
197.04128	3.7
201.07506	0.1
209.04649	0.2
211.06133	100.0
212.06468	5.8
221.06795	0.1
238.04842	0.2
253.07066	0.6
299.33847	0.1
347.11209	0.2
567.29950	0.3
611.15533	0.4
611.24329	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98827	1.2
71.01385	0.5
71.20432	0.6
80.05092	0.3
85.02995	0.3
101.02403	0.2
106.05939	0.2
106.06628	1.4
108.04558	1.9
115.00321	0.2
116.93617	0.2
120.01294	0.5
124.07703	1.4
134.06136	0.4
136.07701	4.8
150.05559	0.5
152.90245	0.2
167.52533	0.3
175.02513	0.5
211.05168	0.5
211.08749	0.3
212.05872	0.9
213.06610	0.4
223.08817	0.4
225.06628	1.7
226.07477	15.3
227.07933	0.8
239.08267	6.0
240.08714	0.7
241.09816	100.0
242.10147	8.2
242.12013	0.2
255.11552	0.6
256.12134	0.3
257.12955	8.4
258.06436	5.0
258.13184	0.6
259.06702	0.4
267.07672	0.3
267.11530	0.6
285.08835	1.3
285.12296	0.4
301.11887	0.2
344.13934	0.4
440.92715	0.3
456.03790	0.3
481.22711	0.3
525.21393	51.0
526.21661	9.4
551.22241	0.3
569.20325	8.6
570.20410	1.6
595.22430	0.6
613.19263	5.0
613.27820	0.4
614.19781	1.5
620.94019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1454
Annotation	L-Glutathione (Oxidized)
Peak:m/z	Relative Intensity
55.10932	0.6
58.02982	5.2
63.14034	0.6
68.54499	0.6
71.05458	0.5
71.71621	1.0
72.00933	0.7
74.02483	13.3
77.93055	0.6
82.02985	2.4
86.02502	4.6
86.06130	1.0
86.99115	0.8
87.05651	2.5
90.00210	0.8
94.57235	0.6
96.96040	0.8
96.97682	0.6
97.04079	3.4
99.05659	11.6
100.00419	1.6
101.07217	2.0
102.05604	1.3
105.99715	1.7
109.04097	1.1
111.05717	0.8
112.04104	1.3
112.23673	0.7
115.00393	1.4
116.01771	0.7
118.90318	0.6
120.01250	0.6
123.05685	1.5
124.04064	1.0
124.81424	0.7
125.03614	1.2
127.05177	1.9
128.03558	39.5
129.03911	1.1
131.04590	1.0
133.01466	4.1
135.04607	1.3
135.05675	3.1
137.07245	0.9
139.08784	0.7
141.06708	2.7
143.04646	44.9
144.04982	1.5
145.06203	2.3
146.04608	6.0
153.06699	4.7
160.00763	13.3
166.09875	2.0
167.04680	3.1
167.08287	1.7
169.06145	1.5
170.03314	0.7
171.07802	1.1
175.01903	2.0
177.03368	3.7
179.04665	12.4
181.06325	1.5
185.05717	1.7
192.07771	1.1
197.05698	2.4
203.04993	1.0
210.08861	11.1
242.07787	0.9
254.07803	11.3
272.08865	28.3
273.09134	1.2
288.06561	5.5
304.06039	10.4
306.07660	100.0
307.07916	6.5
338.04877	12.1
416.08453	0.7
482.10651	1.3
593.13513	0.9
611.14661	18.8
612.14362	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	609.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03453	5.3
57.35608	0.5
58.00589	1.1
59.01380	82.0
60.01715	1.2
61.98826	8.2
69.03463	1.3
69.49359	5.8
71.01386	25.0
71.05004	0.8
72.01723	0.7
72.99312	1.8
73.02949	7.3
76.23523	0.6
78.95924	1.9
79.95775	0.5
83.01388	5.3
83.05029	0.7
85.02960	13.1
87.00879	3.5
87.04533	2.2
88.98808	1.1
89.02458	6.7
95.01389	3.0
96.96017	0.8
97.02959	0.9
97.06595	1.1
99.00903	2.0
99.08202	0.6
99.63003	0.6
101.02459	13.8
101.03085	1.1
107.01405	1.1
107.05093	0.5
111.00964	0.7
112.01691	1.0
113.02463	13.5
115.00407	0.8
119.03528	2.4
121.03027	0.8
123.08213	1.0
124.01637	0.7
125.02468	1.8
125.09750	0.7
131.03593	0.6
133.01457	0.7
135.03046	0.8
135.04533	1.2
137.09755	0.7
143.03534	2.1
148.97267	0.6
151.00423	3.3
151.11331	0.8
153.09218	0.8
157.12433	0.5
159.02936	0.9
161.04573	3.5
163.00345	0.6
169.12318	0.9
171.13936	2.4
175.02646	1.3
178.99898	1.6
179.05698	0.8
181.12379	0.6
187.13443	1.5
187.36316	0.7
187.56367	0.6
199.13480	1.1
201.14977	1.5
226.11147	0.7
227.03642	1.1
243.02921	3.1
254.02267	0.8
255.03093	5.8
257.21091	0.6
271.02441	13.1
272.02884	1.4
285.12476	0.6
294.17136	0.8
300.02747	22.6
301.03394	9.1
302.03882	1.0
315.25400	0.8
343.28632	1.3
359.28088	2.2
361.29578	12.7
362.29877	1.3
403.42242	0.6
447.22241	1.3
505.33789	100.0
506.34113	20.0
523.34790	21.0
524.35150	3.4
531.34460	1.3
542.69971	0.7
565.26227	1.2
565.35956	9.4
566.36627	1.6
609.14771	25.0
609.25073	2.1
609.29230	1.0
609.39069	1.4
610.15039	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93702	0.3
59.01393	2.2
60.04363	0.4
61.63771	0.4
65.00336	0.7
71.01395	1.0
74.12098	0.3
74.32470	0.3
83.01414	0.4
87.00901	0.4
89.02472	0.4
98.19804	0.9
101.02462	0.8
105.07579	0.4
107.01385	1.2
108.02187	1.4
111.00889	0.6
115.00406	0.7
117.39644	0.4
120.01270	0.4
133.01431	1.2
135.00902	0.7
148.01698	1.5
151.00377	4.3
163.00420	1.2
164.01157	0.5
165.01956	0.5
169.80821	0.4
177.02017	0.4
178.99873	3.1
196.84776	0.4
199.04027	0.9
207.50912	0.5
226.02672	1.2
227.03497	3.1
239.03612	0.4
241.17432	0.4
243.02985	9.9
244.03406	1.2
254.02226	1.6
255.02971	26.2
256.03391	2.0
271.02469	53.0
272.02866	6.3
273.03873	0.5
284.03192	1.2
285.03961	0.5
299.01962	2.3
300.02762	100.0
301.03207	13.8
325.03748	0.5
565.28857	0.6
609.14771	69.0
610.15082	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	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57455	0.3
63.36211	0.3
65.00327	0.5
69.80160	2.1
85.75443	0.3
103.59728	0.4
107.01369	1.6
108.02208	0.7
109.02978	0.4
121.02964	1.2
148.01689	0.5
151.00394	8.7
163.00352	1.1
169.01453	0.5
178.99869	5.2
199.03917	0.3
211.04059	0.5
226.02707	0.6
227.03537	1.5
242.97365	0.4
243.03006	4.7
245.04652	0.6
254.02141	1.2
254.04596	0.4
255.02975	12.4
256.03360	1.0
271.02466	28.4
272.02994	3.3
273.03934	1.0
283.02469	1.0
299.02097	0.7
300.02759	87.9
301.03464	39.5
302.03857	3.2
343.04395	0.8
414.88419	0.3
609.14746	100.0
610.15039	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	608.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	13.6
61.98834	1.3
64.46958	0.4
72.95547	0.3
75.28400	0.4
78.95907	5.0
87.00892	1.1
88.00410	3.3
88.98816	100.0
89.02451	15.0
89.99153	1.2
96.96972	1.5
116.16467	0.4
125.00108	0.6
134.04700	0.4
137.06552	0.3
152.99619	1.3
255.03064	0.5
271.02548	1.1
274.68909	0.4
279.23340	4.1
280.23688	0.8
287.78732	0.4
300.02765	1.7
301.03711	0.5
346.05664	1.8
433.23712	1.0
459.25146	0.5
460.26117	0.7
482.34186	0.4
504.31110	1.3
538.34613	0.4
609.14722	1.5
609.38812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19372	6.4
71.01392	9.3
74.35074	1.0
96.96000	1.9
115.00394	15.8
123.04537	3.6
123.74642	1.0
127.91936	1.1
133.01453	39.4
134.01840	1.4
134.03798	1.4
135.04543	100.0
136.04848	5.4
153.05582	24.1
153.06703	0.7
154.06052	1.1
164.96426	1.0
166.35110	1.1
176.83943	1.1
179.03558	6.8
180.21425	1.3
197.04572	23.8
198.04785	1.5
242.78000	1.2
295.04459	2.0
313.05676	12.1
529.27106	1.3
616.56763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88037	0.9
55.01885	1.4
58.00605	1.3
59.01379	22.3
63.80784	1.0
70.10183	6.0
71.01388	35.0
72.01707	1.3
72.99317	4.3
73.02943	7.4
74.02479	1.3
83.01388	2.1
85.02956	9.2
87.00875	5.3
89.02454	17.3
94.06614	1.3
95.01401	3.0
99.00902	3.1
101.02457	15.8
102.46852	1.0
106.06641	62.2
107.05058	1.4
107.06999	2.3
109.03008	6.6
113.02457	15.1
115.00391	17.2
116.00723	2.4
119.03537	4.4
119.05013	5.2
120.01266	2.3
120.05354	2.6
121.02968	1.7
123.04539	1.5
124.07725	4.9
125.02502	2.7
128.03596	1.3
131.03493	3.8
133.01454	36.1
133.02933	7.2
134.01816	6.4
134.03697	5.8
135.01938	3.2
135.04591	10.9
136.04897	1.8
136.07706	5.7
137.02475	1.0
143.03537	3.5
149.04643	1.8
149.06088	2.8
150.05620	56.0
151.04030	2.9
151.06003	1.7
152.04457	1.6
159.02998	1.3
161.04581	10.9
163.04028	6.5
164.04428	2.2
164.07213	6.6
168.06709	7.2
177.02098	1.4
179.03552	7.6
179.05670	9.1
180.04033	2.2
180.06686	28.3
180.73097	1.1
181.07106	1.8
193.05040	8.9
194.05421	3.0
194.08289	1.2
195.03020	10.2
195.05460	1.7
196.03349	4.2
198.07735	100.0
199.08003	4.5
212.09355	1.2
221.06616	7.8
222.07689	2.0
240.08795	16.5
241.09084	1.8
245.11739	3.1
248.92702	1.1
249.04169	1.2
260.75211	1.0
263.07678	2.7
268.09805	6.7
268.12491	1.0
271.09692	1.5
282.09811	1.3
289.10873	2.4
300.02530	1.2
300.10867	19.5
328.13412	1.4
333.09488	1.3
342.11926	3.3
360.13025	23.6
361.13492	2.6
376.11243	4.4
377.08539	6.0
384.13034	6.9
402.14066	77.3
403.14380	8.2
444.15012	1.4
486.16571	1.3
546.18256	1.6
564.19336	11.8
565.19763	1.7
590.23511	1.2
608.26031	1.9
609.15125	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	608.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64168	0.4
61.24902	0.4
70.02803	0.5
70.58957	2.0
71.01385	10.8
72.99333	2.3
77.71519	0.4
89.02437	0.9
99.25620	0.5
107.05039	0.6
115.00389	28.4
116.00739	1.5
123.04500	0.7
123.35048	0.4
133.01453	100.0
134.01801	6.8
134.03682	1.5
135.01904	0.6
135.04544	25.4
136.04886	2.6
145.18536	0.5
153.05580	0.7
177.01971	0.6
179.03519	25.2
180.03845	3.8
195.03006	2.1
196.03325	0.6
202.48039	0.5
207.06483	0.5
212.44403	0.5
295.04553	3.7
296.04755	1.1
363.57236	0.5
382.90613	0.5
403.79141	0.6
598.04669	0.5
607.95520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55907	0.5
53.92572	0.5
55.01880	1.5
57.03449	3.4
59.01379	78.5
60.01716	0.9
61.98845	2.6
69.03459	1.5
69.12463	0.5
71.00992	0.9
71.01386	17.9
72.99306	0.8
73.02949	6.6
78.95919	1.5
83.01407	4.5
85.02959	10.4
86.00101	0.8
87.00880	2.3
89.02435	2.7
89.37197	0.5
95.01418	1.6
97.02949	1.5
99.00899	2.4
99.89747	0.5
101.02446	9.7
101.36691	0.6
102.02840	0.8
111.00887	2.3
111.08196	0.6
112.01697	0.8
113.02473	8.7
115.00370	1.0
119.03485	0.6
125.02450	1.1
127.11321	1.2
137.09735	3.2
143.03510	2.1
153.12886	1.6
155.10774	4.9
157.12384	2.3
161.04575	2.0
183.13924	1.4
201.14954	5.2
229.14546	1.0
230.15245	2.2
282.41476	0.6
301.16635	0.8
341.26959	1.1
359.28021	15.5
359.43109	0.5
360.28387	1.5
364.96030	0.6
433.28217	0.6
455.29816	1.0
473.30963	0.8
483.35867	0.6
501.30804	0.7
503.32233	100.0
504.32599	16.9
521.33295	30.6
521.41290	1.0
522.33746	5.4
545.33075	2.1
563.25189	0.6
563.34528	6.1
564.34442	0.9
607.29877	0.7
608.28320	1.6
629.19702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39168	0.6
55.01870	0.6
57.03449	4.2
59.01382	75.2
60.01702	1.1
61.98832	4.2
68.26337	0.6
69.03456	1.3
71.01389	19.9
71.29581	0.8
71.29918	1.4
72.99306	1.0
73.02952	5.9
78.95905	0.7
80.43406	0.6
83.01376	3.7
85.02959	11.4
87.00893	2.4
88.98821	1.0
89.02453	3.6
95.01388	2.1
97.02950	1.6
99.00903	2.6
101.02466	11.4
111.00904	1.0
112.01664	0.9
113.02471	9.6
115.00378	1.2
115.03986	0.9
119.03514	1.3
125.02482	1.6
127.11248	0.6
128.03607	0.8
128.34995	0.6
132.66769	0.7
137.09747	1.7
143.03520	1.4
153.12888	0.7
155.10788	1.4
157.12286	0.8
161.04559	2.8
171.13991	1.0
175.02615	0.9
201.14969	3.8
230.15161	0.9
251.20180	1.5
295.23056	0.7
341.26956	2.0
359.28040	10.1
360.28510	1.3
473.31326	1.5
503.32233	100.0
504.32538	14.3
521.33276	29.2
522.33514	3.6
545.33411	1.3
563.34625	7.6
564.24927	1.0
564.34644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01381	13.1
60.01695	0.3
61.98833	2.0
62.04953	0.2
69.03464	0.5
70.91620	0.7
71.01394	4.5
71.04966	0.3
72.99309	0.3
73.02953	1.7
75.00860	0.3
75.48342	0.2
76.71729	0.3
78.95897	0.3
83.01385	0.8
85.02943	1.4
87.00884	0.4
89.02437	0.7
97.10933	0.2
99.00909	0.3
101.02455	2.3
109.99970	0.2
111.00906	0.2
113.02473	2.1
115.00394	0.3
119.03519	0.4
120.90890	0.2
125.02436	0.5
125.09700	0.3
127.11285	0.5
133.01404	0.3
141.12907	0.3
143.03534	0.5
161.04585	0.5
177.34023	0.2
181.58623	0.3
244.40207	0.2
267.23230	0.3
295.22650	0.4
297.24356	0.3
299.01996	0.3
306.72119	0.3
309.24371	0.5
311.25888	0.9
313.23792	5.3
314.24210	0.7
325.24310	0.4
327.25479	0.3
341.26999	4.1
342.27328	0.5
357.26468	0.8
359.28024	100.0
360.28369	14.0
373.29529	1.4
401.29056	1.5
503.32095	1.7
521.33276	1.6
547.39087	0.3
563.34406	7.8
564.34558	1.5
607.35748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03442	3.6
59.01382	100.0
60.01714	2.1
61.98835	6.6
69.03471	1.2
69.43624	9.4
71.01389	31.7
71.05040	1.1
72.99316	2.0
73.02951	28.4
74.02500	1.2
75.00861	1.2
78.95927	1.3
83.01401	10.6
83.05009	1.3
85.02955	9.3
87.00878	4.1
89.02467	6.5
95.01401	3.1
96.00922	1.2
96.96017	1.0
97.02921	0.9
99.00893	1.8
101.02453	24.9
111.00954	1.3
113.02471	15.4
115.00378	1.8
119.03526	3.2
125.02407	1.7
131.03503	2.4
139.00452	1.6
139.07611	0.9
143.03520	3.5
149.04597	3.3
161.04567	7.4
175.02460	2.3
179.05736	1.1
203.05606	0.9
221.06659	2.0
230.22412	0.8
233.01825	0.9
245.45291	0.8
249.73322	0.9
309.24469	1.2
315.18100	1.1
339.24939	1.1
341.27066	1.7
359.27985	9.2
402.06570	2.5
411.59689	0.9
448.15231	1.8
503.32275	52.5
504.32401	8.3
521.33319	15.9
522.33514	2.8
563.23444	1.7
563.33252	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.6
57.03448	1.3
57.78067	0.5
59.01381	85.8
60.01725	1.2
61.08775	0.6
61.98827	1.6
69.38861	5.9
71.01390	8.7
73.02971	3.2
75.00872	0.6
79.80295	0.5
83.01405	2.3
85.02964	5.4
85.06580	0.5
86.79025	0.6
87.00919	0.8
95.01414	1.1
97.02902	0.6
98.19891	0.9
99.00903	1.4
101.02457	6.6
113.02475	4.0
114.25610	0.4
119.15659	0.5
137.09756	0.5
143.03529	0.5
157.09076	0.5
161.04611	1.0
251.52643	0.5
263.07120	0.5
279.23361	1.5
357.26416	2.4
423.27499	0.9
441.28369	2.5
459.29715	1.4
477.28113	0.5
501.30716	1.5
519.31702	2.2
520.32605	0.6
561.32886	100.0
562.33221	17.1
605.34607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03708	0.3
59.01365	0.5
60.99306	13.0
61.98816	1.2
71.43293	0.4
71.43610	0.4
78.95911	35.4
79.58966	0.3
85.21268	0.4
87.00877	0.7
88.00415	2.4
88.04044	0.4
88.98816	100.0
89.02452	11.5
89.99142	0.9
94.44055	0.3
96.96980	9.2
100.60751	0.4
107.03600	0.4
109.48536	0.3
115.39034	0.3
129.44398	0.3
134.04753	5.3
150.98048	1.1
152.99588	1.1
192.99062	0.8
211.00139	1.1
243.08939	0.3
267.66217	0.4
277.21677	2.8
278.22119	0.4
328.04541	0.8
330.35635	0.3
346.05582	23.1
347.05823	1.3
372.23929	0.4
431.22153	1.2
502.29501	1.0
547.25549	0.4
606.27002	3.0
607.27460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01379	38.5
61.98826	3.8
71.01385	28.7
71.05014	0.5
71.20108	1.7
72.99322	4.2
73.02954	1.7
74.02480	0.8
75.00864	0.7
77.92093	0.5
78.95911	6.8
83.01403	0.9
85.02977	1.6
87.00887	1.7
88.04058	2.2
88.54058	0.6
88.98838	1.3
89.02457	3.9
91.01905	1.3
93.03449	0.7
99.04519	0.6
101.02460	3.6
108.02203	1.4
109.02937	0.9
109.06571	0.7
111.00923	2.9
113.02459	2.7
115.00389	59.1
116.00719	2.1
119.05035	1.9
121.02965	0.9
122.06142	1.0
123.04549	12.0
124.01684	0.6
127.05130	1.7
128.03561	2.2
129.05637	1.1
133.01451	100.0
133.40234	0.6
134.01790	1.4
134.03760	1.5
135.03096	0.8
135.04552	1.7
147.04648	0.6
152.99611	7.7
160.05391	0.7
161.04620	0.8
163.03995	0.9
164.07095	1.0
174.06824	1.1
179.03516	0.9
179.07184	0.8
185.09335	2.6
193.04979	0.8
194.05743	0.6
199.07590	1.5
210.06911	1.3
211.07611	1.5
212.08434	17.5
213.09012	3.0
214.08762	1.4
225.09184	5.5
226.09904	0.9
227.10774	13.1
228.11526	10.4
229.08868	0.9
229.11916	0.9
241.08734	1.0
241.12338	1.3
241.28073	0.6
243.13832	2.1
253.08809	2.6
254.09430	3.1
269.11829	6.7
275.12756	0.8
287.12860	5.1
299.22226	1.6
300.02609	0.8
301.03384	0.8
313.10809	16.9
314.11130	2.6
331.11871	66.1
332.12167	6.3
332.15155	0.7
356.78229	0.6
357.09897	2.3
375.10861	40.6
376.11301	5.2
403.14548	0.9
447.25980	0.7
472.39902	0.7
473.11005	2.0
487.29666	0.9
491.11923	12.1
492.12357	2.3
505.30042	0.7
547.31378	1.6
563.30334	1.4
589.31781	0.9
590.26349	0.7
606.26947	2.4
607.12909	1.5
607.34210	15.0
608.13574	0.7
608.16675	0.9
608.26794	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	605.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92488	0.2
61.98840	1.0
70.82638	0.4
81.75802	0.2
106.06631	0.4
107.84409	0.2
109.83096	0.2
113.33181	0.2
115.96482	0.2
128.36916	0.2
146.06102	0.2
160.51534	0.2
162.05611	0.3
286.85004	0.2
381.97870	0.3
394.11871	0.4
401.17972	0.3
402.95313	0.2
415.15625	0.5
416.16644	0.4
424.16675	0.3
428.16559	0.3
429.17200	0.8
430.18073	1.5
443.18845	1.0
444.20013	0.4
445.19638	0.3
446.21381	0.4
453.17358	0.3
455.18936	0.3
457.20618	1.7
458.21335	0.5
459.17361	2.1
461.23578	0.6
469.17636	0.2
470.21158	0.6
470.26837	0.2
471.18024	1.7
472.19144	0.4
473.19797	4.8
474.20306	1.0
475.21332	0.6
485.19470	1.2
485.23810	1.3
486.20673	3.5
487.21582	1.4
490.16400	0.2
496.18991	0.8
499.17551	1.8
500.18484	0.7
501.23618	3.0
502.20157	0.4
503.21371	0.3
511.21405	3.4
512.21582	0.8
513.19250	2.5
514.20044	8.3
515.20593	2.0
517.18909	0.3
518.19812	1.7
519.19873	0.4
527.21338	0.4
528.21625	0.7
529.22418	100.0
530.22736	24.2
532.21228	1.5
533.21814	2.4
534.22089	0.4
561.25409	1.0
573.21899	1.7
574.22052	0.5
601.44043	0.3
605.23730	1.7
606.24750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52326	0.4
70.03248	0.8
70.03655	2.0
71.01392	17.6
72.99321	2.0
84.35870	0.6
87.00882	0.6
89.02466	0.8
98.19965	0.6
115.00389	30.7
117.03477	2.8
119.05084	0.7
133.01454	100.0
134.01767	2.3
134.03761	33.3
135.04568	19.2
136.04866	1.0
137.02455	0.6
149.02545	0.8
149.06136	3.8
178.02740	3.1
179.03516	24.7
180.03822	1.3
193.05078	65.4
194.05463	3.8
249.85504	0.5
275.83002	0.5
285.11389	0.8
295.04599	4.1
309.06143	3.5
329.10297	0.7
337.76193	0.5
373.09216	1.0
403.90585	0.5
619.01697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12785	0.5
71.01386	19.5
71.17461	0.4
71.32569	0.7
72.99312	1.7
86.93607	0.4
89.02469	1.7
107.05056	0.5
111.12396	0.5
115.00385	29.4
115.40639	0.5
116.00742	1.0
117.03449	2.7
133.01450	100.0
134.01901	2.7
134.03754	37.4
135.04556	19.6
136.04927	1.2
137.02493	0.7
149.06102	4.6
178.02792	2.7
179.03510	23.7
180.03830	2.0
193.05072	68.0
194.05359	4.6
285.11295	0.9
295.04623	3.8
306.61813	0.5
309.06158	3.7
334.91550	0.5
373.09308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80657	2.6
69.81084	1.1
71.01385	17.2
72.01745	0.7
72.86001	0.6
72.99306	1.3
75.93555	0.5
80.50584	0.5
89.02464	2.0
89.03989	0.7
115.00386	30.6
116.00770	0.6
117.03482	3.4
127.90565	0.5
133.01450	100.0
134.01776	2.7
134.03755	36.1
135.04558	19.9
136.04875	0.6
137.02489	0.7
149.06108	3.2
178.02730	3.3
179.03508	24.6
180.03920	1.3
193.05074	69.7
194.05397	4.9
285.11346	1.4
295.04660	4.1
309.05991	3.9
373.09366	1.7
595.62732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68715	0.3
51.06460	0.3
59.01367	0.4
60.99309	15.7
61.98835	0.3
78.95915	0.4
87.00889	2.1
88.00409	5.0
88.04056	0.7
88.98817	100.0
89.02452	44.9
89.81422	0.3
89.99146	1.2
90.02805	0.4
106.93882	0.3
128.16324	0.3
192.23228	0.4
277.21579	0.4
439.05106	0.4
456.74878	0.4
570.90863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88712	0.1
59.01381	12.7
60.01709	0.2
61.98832	100.0
62.98532	0.2
69.75034	0.8
69.75447	0.3
70.40659	0.1
71.01386	12.3
72.01720	0.2
73.02962	0.5
82.38759	0.1
83.01411	0.5
84.75290	0.1
85.02988	0.3
87.04536	0.4
89.02445	0.4
89.06102	0.7
95.01397	0.1
98.20562	0.2
101.02449	0.6
101.68118	0.1
113.02471	0.6
115.00388	0.2
118.69920	0.1
121.02978	1.2
125.02477	0.3
134.03735	0.2
135.04491	0.2
161.04593	0.2
164.19344	0.2
165.02016	0.2
175.40366	0.1
221.08267	0.6
233.10384	0.6
237.07741	0.4
291.08688	1.8
292.09171	0.2
327.21918	0.7
375.61810	0.2
381.11902	6.3
382.12323	0.8
423.12921	2.3
423.18079	0.2
424.13110	0.3
425.21259	0.1
443.23071	0.3
455.70612	0.2
560.31854	0.2
561.33160	0.6
603.32330	0.1
609.79443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87259	0.3
53.14652	0.3
53.82410	0.3
59.01381	0.8
60.99307	16.1
61.98833	0.7
62.69421	0.3
63.07408	0.4
64.46188	0.3
71.01390	0.4
71.02568	1.0
72.81741	0.3
78.95897	0.4
87.00898	2.2
88.00415	5.5
88.04057	1.4
88.98815	100.0
89.02449	42.3
89.99152	1.4
90.02792	0.6
96.96004	0.6
121.65925	0.4
153.15013	0.3
175.48172	0.4
277.21698	1.1
278.21927	0.6
279.23117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03452	2.2
57.52465	0.8
59.01382	93.8
60.01709	1.3
61.98827	4.0
69.92332	1.9
69.92735	4.6
71.01387	20.4
72.99310	2.6
73.02953	5.9
83.01408	9.8
85.02963	9.5
86.02487	0.9
87.00886	33.8
89.02458	3.9
95.01389	1.3
99.00888	1.6
99.04525	3.0
101.02457	5.8
109.06625	1.1
111.00896	8.6
112.98806	1.2
113.02467	14.7
115.00389	68.7
116.00707	2.1
119.03523	1.5
127.00359	1.9
131.03510	1.9
133.01439	0.8
139.00403	13.4
149.04573	1.3
157.01443	33.6
158.01851	1.0
161.04570	2.7
165.12839	1.7
175.02496	82.7
176.02846	2.8
179.05675	2.4
207.13954	6.1
209.11801	6.5
217.03433	1.3
225.14932	11.1
227.12889	43.5
228.13173	4.2
243.23997	0.9
251.12886	1.9
269.13977	9.2
276.21469	1.1
287.14993	35.5
288.15332	2.4
329.16043	1.3
385.15042	2.2
409.14697	1.1
427.16043	13.5
428.16434	2.5
445.17136	100.0
446.17392	12.6
487.18228	4.7
499.29254	2.4
585.17816	1.3
603.19299	96.0
604.19440	15.0
604.36914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.36
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.5
61.98825	1.0
62.75325	0.6
71.01380	1.8
71.42277	1.0
71.42664	1.0
73.02985	0.5
78.95888	0.6
80.51527	0.6
83.62824	0.4
85.02955	0.5
89.02457	2.2
101.02461	2.7
108.20433	0.5
113.02444	1.2
125.10818	0.5
130.97182	0.4
161.04564	1.2
170.82123	0.6
200.68709	0.5
235.08247	1.6
253.09303	16.3
254.09698	0.9
277.44464	0.5
305.24860	100.0
306.25201	11.7
311.96863	0.5
469.49893	0.7
481.25345	0.7
527.69470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03454	5.8
58.00585	2.2
59.01379	100.0
61.98832	72.3
68.99816	1.3
69.03465	2.1
69.07995	1.0
71.01388	45.7
71.05023	1.2
71.72502	1.6
72.99311	2.6
73.02950	24.8
78.95908	12.3
81.03475	10.2
83.01394	13.8
83.05035	15.4
85.02959	50.1
86.03308	1.6
87.00879	5.6
88.98802	1.4
89.02454	15.6
92.19651	1.2
95.01411	3.0
96.96017	3.5
96.96953	2.9
97.02961	3.8
99.00889	10.4
99.04530	10.5
101.02459	40.0
102.02747	1.5
108.02204	2.1
109.02970	19.0
110.03263	1.7
111.00874	1.3
113.02470	19.6
114.02853	1.1
115.00377	2.5
116.92886	3.0
119.03522	6.6
120.01229	2.3
122.06087	1.2
125.02433	2.2
125.06062	1.2
127.04028	63.2
128.03522	1.9
128.04349	2.9
130.08710	2.6
131.03551	3.4
133.01451	2.7
135.04530	2.6
136.07698	2.7
137.02336	1.3
137.09706	4.0
143.03508	5.2
145.05086	63.5
146.05409	3.1
149.04555	8.6
153.98729	1.3
155.00014	1.3
161.04579	13.2
161.09776	1.2
163.11395	1.3
175.02486	2.0
179.05632	4.6
212.10538	1.4
221.06647	6.5
235.13412	3.3
241.01198	2.3
242.08244	1.3
255.11371	3.2
257.12946	2.7
281.09235	1.4
335.22299	1.7
421.23587	1.7
468.16983	1.4
497.27264	1.9
538.32996	1.7
541.27167	1.4
557.30029	2.7
559.27374	1.6
583.21814	5.5
601.23145	6.7
601.31372	10.1
602.22241	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83983	0.3
58.02974	1.8
59.01379	12.1
61.98830	66.3
63.99261	0.5
66.03489	0.7
71.01391	7.1
71.73518	0.6
72.99338	0.5
73.02950	1.6
73.04069	3.7
73.43887	0.4
74.02476	0.8
75.00858	0.4
78.95924	1.4
80.96515	0.6
82.02984	5.1
82.06610	0.6
83.01395	1.5
83.05040	0.4
84.00943	1.0
84.04543	0.8
85.02956	1.5
87.00894	1.6
87.05643	3.6
88.98808	1.4
89.02444	1.8
94.06632	0.8
96.08204	0.5
96.96019	2.1
97.04088	1.1
98.02489	2.3
99.00880	0.4
99.05671	0.4
99.92605	0.7
100.04100	1.0
101.02466	3.2
103.59918	0.4
106.06657	0.5
109.04064	0.7
110.02496	1.4
111.00935	0.4
112.04077	1.2
113.02442	2.3
113.03590	0.8
115.00407	2.7
115.05148	7.1
115.41871	0.3
115.92114	0.8
116.92844	1.8
119.03519	0.8
120.01308	0.7
122.06134	0.8
125.06011	0.8
125.07224	1.1
126.06762	11.0
127.05196	0.4
128.03555	100.0
129.03912	3.0
129.10365	3.5
130.08754	3.1
131.03528	0.5
133.01421	0.6
136.11339	0.7
137.04890	0.6
140.07204	4.0
141.06688	0.7
141.10365	0.5
142.05130	0.6
143.03502	0.4
144.07806	9.7
151.88661	0.4
153.10364	1.2
155.08240	0.6
155.11880	1.9
157.13556	0.4
160.06131	1.6
161.04556	0.6
165.10318	3.3
167.11932	0.5
168.07802	25.7
169.06216	1.4
169.08151	1.0
169.09842	2.9
169.13475	1.2
174.01744	0.7
175.02516	3.7
176.02885	0.5
177.05264	0.4
179.05576	0.4
180.10312	1.4
181.09848	1.1
182.11511	0.5
182.13007	7.4
183.11403	1.2
186.08858	17.4
187.09209	0.4
197.12973	2.1
197.16589	0.6
200.14059	5.8
201.12515	1.0
207.15118	0.5
208.13443	0.7
212.14149	0.5
214.15602	0.5
221.06702	0.6
225.16119	0.5
238.15556	0.4
239.14992	2.0
241.11850	2.5
252.20856	1.8
254.15132	0.8
257.16266	0.6
268.20279	0.4
273.14490	0.6
281.16193	3.6
299.17294	1.7
300.15570	0.7
351.24066	0.6
376.16428	0.5
385.24725	0.4
386.23080	0.6
395.23373	0.7
426.14987	0.7
457.26624	2.8
497.27585	0.5
514.28204	0.5
556.29926	94.5
557.30231	16.3
582.31329	1.1
600.32458	45.6
601.33002	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	600.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47867	1.3
58.02975	11.9
59.01382	28.5
60.99293	1.6
61.98834	55.5
66.03471	1.6
71.01382	10.4
71.71738	2.1
72.00908	1.8
73.02940	4.3
74.02478	22.2
81.04586	1.7
82.03002	2.4
83.01373	2.7
83.02498	1.5
84.04542	1.4
85.02942	3.2
86.02489	10.8
86.81605	1.6
87.00880	2.2
87.05645	4.3
89.02460	4.3
97.04094	4.4
99.05659	21.9
101.02462	5.6
101.07210	3.8
102.05607	5.1
109.04096	4.5
111.05657	3.4
112.04051	2.7
113.02457	5.3
113.68243	1.4
115.00350	1.5
119.03547	2.4
122.06145	1.9
124.04099	1.4
125.03579	3.5
127.05164	5.4
128.03558	54.7
129.03899	1.7
129.42554	1.4
135.05672	9.1
139.05130	1.6
141.06691	2.3
143.04645	73.3
144.04976	1.5
145.06235	3.1
146.04596	8.5
149.07222	1.8
153.06705	6.4
166.09825	3.7
167.04623	2.2
167.08290	5.8
170.03391	2.1
174.62732	1.5
175.02501	2.4
175.94391	1.4
179.04610	23.7
179.06029	1.8
180.04959	1.7
180.06483	1.3
181.06270	1.5
185.05721	2.7
192.07761	2.1
197.05722	3.3
210.08855	16.9
235.19342	1.4
251.99937	1.4
254.07831	40.3
255.07971	1.6
272.08850	62.1
273.09140	3.8
275.20294	1.8
280.52213	1.5
293.21167	6.1
327.19983	9.8
328.20181	2.1
338.77115	1.4
339.14191	1.6
353.23425	1.7
471.25189	9.5
472.25671	1.6
493.24384	1.6
557.30627	2.1
582.29034	11.8
583.28870	2.4
600.29706	100.0
601.30237	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	598.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.02975	1.7
59.01380	10.0
60.01731	0.3
61.98830	15.3
66.03483	1.2
69.03468	0.4
71.01385	3.4
71.28449	0.4
71.28777	0.6
72.99307	0.4
73.02943	0.7
76.04072	0.3
78.95899	0.4
80.05072	1.0
82.02985	3.0
82.06635	0.6
83.01385	0.8
84.00910	1.2
84.04571	0.4
85.02939	0.9
87.00880	0.6
87.05643	4.1
88.98840	0.5
89.02452	0.9
95.02465	0.3
96.96015	1.1
96.96969	0.4
99.00913	0.5
99.03963	0.3
99.04531	1.8
100.04069	0.8
101.02436	1.5
106.06644	5.1
107.04959	0.3
107.06970	1.2
108.04563	4.2
108.08189	0.7
109.04141	0.3
109.04875	0.8
111.05664	0.3
112.04053	1.2
112.07683	0.5
113.02433	0.9
115.00381	0.8
116.07171	1.9
116.92812	0.5
120.93787	0.3
122.06148	0.3
122.09779	0.9
124.07680	1.4
125.02478	0.3
125.07217	0.8
125.08068	0.5
126.05646	1.5
126.79530	0.3
127.05156	0.5
127.08753	0.5
128.03552	73.3
129.03917	1.9
129.06731	3.4
129.10359	6.3
130.08727	2.1
132.04570	0.4
134.03732	0.9
134.06149	1.9
135.06488	0.6
136.07689	6.3
137.08067	1.5
138.07941	0.3
139.00346	0.3
139.08777	0.8
140.07181	0.8
150.05618	1.9
151.06027	0.4
152.07190	0.8
153.10359	0.9
154.99869	0.7
155.08255	1.9
155.11905	1.0
160.01682	0.3
160.04044	3.7
160.06184	0.9
160.07608	0.3
161.04453	2.5
161.09859	0.3
162.05620	1.1
162.06857	0.3
163.00537	0.3
163.06017	0.3
164.09557	0.7
165.10304	1.1
166.08765	2.9
167.08252	0.6
168.06857	0.3
174.01735	0.7
174.05630	0.9
175.02487	1.3
175.03880	0.3
176.07196	0.7
177.07605	0.3
178.05115	1.2
179.05469	0.5
181.13478	1.2
182.13008	5.2
183.06749	0.3
183.11403	2.4
183.12914	0.5
183.15010	0.7
193.13538	0.6
194.05415	0.3
195.15007	0.5
197.16704	0.3
199.15074	0.3
200.14061	5.4
207.14995	3.5
211.06224	0.6
211.08662	0.4
211.14507	0.7
212.06627	0.4
224.14067	11.5
224.17502	2.4
224.62039	0.3
225.10371	0.3
225.12457	0.4
225.14372	0.7
227.10133	1.6
227.12286	0.4
228.12126	0.5
228.17174	0.5
239.08197	0.7
239.11894	0.4
240.12276	0.4
241.09845	1.3
242.10275	1.1
242.15097	8.4
242.18660	1.6
243.15436	0.8
250.45210	0.4
252.11909	0.3
252.20744	0.4
253.09784	1.2
254.10124	0.9
255.11336	0.8
256.11682	0.6
257.12949	11.4
258.13260	10.1
259.13464	1.1
267.11395	0.5
268.11649	0.7
268.20193	0.7
269.12970	1.5
270.13229	0.9
270.21991	0.4
295.10928	1.1
295.21313	2.1
296.11313	1.5
310.21344	0.4
313.11826	2.3
313.22446	1.2
314.12314	2.5
337.22388	1.2
351.27451	0.4
354.20456	0.4
355.23425	0.8
356.22162	0.4
365.16962	0.4
372.21283	1.5
385.55554	0.4
387.10614	0.5
388.11261	1.0
388.67447	0.3
390.17920	0.3
391.18506	0.6
392.08408	0.3
392.20026	0.5
393.20319	1.1
393.28888	0.3
419.22278	0.7
436.18787	4.9
437.19067	14.5
438.19452	1.2
463.20752	1.0
485.29883	0.5
520.22021	0.3
536.16931	0.4
556.33759	0.5
564.30566	0.8
580.22791	0.3
598.24121	51.8
598.34747	100.0
599.24402	7.9
599.35046	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	598.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.5
61.98828	11.8
63.10279	2.2
71.01382	2.9
71.71989	2.5
71.72396	3.7
78.95905	12.4
82.95429	16.5
84.00918	100.0
84.95139	8.1
85.01237	2.4
89.15708	3.0
140.55824	2.5
141.05518	2.7
152.99657	12.4
153.99954	3.5
155.00072	4.8
253.09180	4.3
277.21729	49.2
278.22018	3.8
279.23294	4.2
280.23602	7.3
548.93213	3.5
598.29596	27.3
599.30212	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	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22131	0.4
58.02972	7.3
59.01380	11.3
60.01723	0.4
61.98831	10.3
62.21431	0.3
66.03481	0.7
70.02981	0.8
71.01384	1.4
71.06051	1.2
72.00915	1.0
73.02935	0.5
74.02478	17.2
78.95912	0.4
80.71035	0.3
81.04597	1.0
82.02981	2.0
84.04550	0.7
85.02960	0.9
85.04071	0.6
86.02486	5.7
86.06133	0.8
86.99106	1.3
87.05640	3.1
88.04051	0.5
89.02460	0.4
90.00207	1.6
93.04575	0.4
96.95988	0.5
97.04077	2.1
98.06123	0.5
99.05653	15.1
101.02442	0.7
101.07205	2.0
102.05639	2.2
107.06145	0.6
109.04090	2.7
109.07755	0.9
111.05673	1.0
112.04084	1.9
113.02490	0.6
113.03596	0.8
116.01790	0.9
119.03654	0.3
120.01275	0.5
123.05676	1.3
124.04081	0.6
125.03600	1.8
126.01997	0.8
127.05148	2.7
128.03555	38.7
129.03877	1.1
129.99719	0.7
135.05658	3.6
137.07231	0.6
141.06721	3.4
143.04642	52.9
144.04964	1.2
145.06219	1.9
146.04616	5.2
149.07272	0.5
153.06700	3.3
155.08302	0.9
160.00751	14.7
166.09843	2.4
167.04646	3.6
167.08275	2.4
170.03339	1.4
171.07707	0.8
177.03406	5.6
179.04634	12.1
181.06252	1.8
184.10960	0.7
185.05692	1.8
192.07817	1.3
197.05698	1.5
198.08893	1.2
210.08846	11.7
213.03410	0.5
228.09975	1.0
242.07867	1.1
254.07831	14.5
255.08095	0.8
272.08871	28.7
273.09158	2.3
288.06546	9.2
289.06989	0.6
306.07648	100.0
307.07916	6.6
469.24237	0.5
580.26849	1.0
598.27814	11.7
599.28003	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	597.3048
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
59.21813	0.7
61.98817	3.1
64.53955	0.8
71.27765	1.6
78.95909	57.5
82.48759	0.8
96.96979	11.3
116.04778	0.9
150.07056	0.9
150.98050	1.0
152.99608	80.8
153.99899	1.5
171.00653	2.4
178.42421	0.9
197.91197	0.9
223.00125	8.9
241.01192	22.9
259.02264	1.1
281.24863	64.9
282.25186	7.8
305.55765	0.8
315.04846	11.4
333.06030	1.3
359.63614	0.8
597.30463	100.0
598.21442	1.4
598.30829	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	598.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	12.6
59.01392	5.3
61.98831	14.9
66.03486	1.4
68.05000	0.7
71.01374	1.7
71.27605	1.7
71.35142	0.6
72.97549	2.0
74.00732	0.8
74.02479	21.3
81.04580	1.3
82.02999	2.6
84.04543	0.9
85.02963	0.8
85.04063	0.8
86.02487	9.7
86.06130	2.0
87.05643	4.1
88.04059	1.2
89.02512	0.7
95.06213	0.7
97.04094	3.0
99.05661	19.0
100.00426	2.5
100.04082	0.8
101.07223	4.2
102.05644	3.6
107.06152	1.1
108.04557	1.0
109.04105	3.1
109.07723	0.9
111.05677	1.7
112.04057	2.7
116.92924	1.1
123.05663	1.6
123.49526	0.7
124.04053	1.1
124.07631	0.7
125.03580	3.1
127.05152	3.3
128.03561	63.5
129.03912	1.2
135.05652	7.0
137.07231	1.7
141.06712	4.1
142.04747	0.7
143.04648	77.4
144.04984	1.3
145.06172	2.8
146.04602	7.1
153.06717	3.5
165.12851	1.1
166.09886	3.1
167.04587	3.0
167.08260	4.3
169.06218	1.6
170.03354	1.4
171.04094	1.5
179.04628	17.5
180.04918	0.8
181.06203	2.0
184.10867	1.6
185.05707	1.7
192.07776	2.4
197.05711	3.0
210.08864	15.7
211.09138	0.9
223.13274	1.0
228.09790	1.4
239.24863	0.8
254.07829	47.6
255.08061	1.8
256.11441	1.6
272.08871	100.0
273.09195	5.2
291.19675	2.2
325.18365	4.2
326.25641	0.7
432.42053	0.7
462.95401	1.1
469.23596	4.4
470.24261	1.0
544.23315	0.8
580.27008	6.8
581.27228	1.3
598.28070	44.0
599.28497	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	597.2357
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
59.01385	4.3
61.98832	3.9
71.01381	0.8
73.02969	0.3
80.05064	2.3
82.02950	0.2
85.02907	0.3
85.07775	0.2
88.98824	0.7
89.02458	0.3
89.67172	0.2
94.06623	0.4
97.01743	0.2
101.02436	0.2
104.05036	0.5
106.06640	15.0
107.06998	0.6
108.04568	10.0
108.08234	1.4
110.06126	0.2
115.00465	0.2
118.03034	0.3
118.06628	0.2
120.04580	0.3
121.05343	0.7
122.06138	1.1
124.06849	0.4
124.07703	4.6
125.08076	0.2
132.04550	1.3
132.08224	0.5
134.06137	7.0
134.09747	1.2
136.07698	17.0
137.08058	0.6
148.07703	0.4
150.05634	5.6
150.83784	0.2
152.07196	2.4
160.04059	12.2
160.07642	0.3
161.04567	1.0
162.05624	2.7
168.06711	0.9
174.05603	0.5
176.07210	2.8
178.05104	3.7
179.05525	0.3
193.03760	0.6
194.04529	0.3
196.06439	0.5
197.07082	0.2
202.05174	0.3
210.05637	0.5
210.07947	0.5
211.08813	2.3
212.07211	0.6
212.09201	0.4
213.10124	0.2
213.13924	0.4
213.49274	0.2
214.12376	0.8
214.45592	0.2
224.09563	0.8
225.08490	0.2
225.10284	1.1
227.08257	0.9
227.11868	2.7
228.08939	0.5
232.63133	0.2
238.07430	0.2
239.08214	1.5
239.11900	1.9
240.10596	1.0
240.12360	0.2
241.07495	0.4
241.09808	5.5
242.10490	1.0
243.11525	0.2
249.10194	0.3
251.11909	0.6
252.09128	1.2
253.09821	4.2
254.10455	0.9
255.11385	3.8
256.11911	0.6
257.12949	48.0
258.13260	4.2
262.07248	0.3
267.07932	0.4
267.11346	2.3
268.11801	0.5
269.12930	5.2
270.13312	0.6
277.09851	1.6
295.10864	4.8
296.11243	0.7
299.10361	1.3
299.13998	0.7
301.11887	0.8
302.12894	0.2
311.10291	1.4
313.11954	10.6
314.12289	0.9
331.20126	0.2
339.09991	0.3
355.09442	0.2
364.16605	1.3
374.18799	0.4
390.18204	2.0
391.18704	0.5
392.19833	3.3
393.20203	0.5
418.21719	1.5
419.21539	0.3
436.18781	40.1
437.19138	7.1
462.20432	2.7
463.20819	0.5
495.20334	0.7
525.21631	0.6
537.21448	0.2
539.06580	0.2
553.24707	2.3
554.24609	0.4
579.22455	1.1
580.22601	0.3
597.23553	100.0
598.23853	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	597.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27296	0.5
65.39113	0.5
71.01385	12.0
71.71571	0.7
71.89057	0.6
72.99310	1.7
73.43345	0.5
89.02454	1.4
89.11537	0.5
94.97372	0.6
96.96044	2.4
112.35359	0.6
115.00389	29.5
116.00795	1.0
133.01451	100.0
134.01790	2.2
134.03770	1.7
135.04546	28.0
136.04817	1.0
179.03519	28.1
180.03830	2.0
228.18681	0.6
295.04529	4.0
296.05023	0.8
405.82327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	59.2
60.01704	0.8
61.98823	5.8
62.63958	0.6
71.01390	3.1
71.72919	1.0
73.02959	1.1
73.71420	0.5
78.95883	0.9
85.02956	1.0
87.00897	0.7
89.02434	1.7
93.03470	1.1
95.01414	0.6
96.96029	1.1
101.02447	0.7
105.29573	0.5
110.92393	0.6
111.00886	0.6
113.02438	1.2
115.00388	0.9
119.05023	1.1
121.02977	6.2
122.03793	3.6
123.00889	0.7
128.03525	1.3
128.66269	0.5
133.01465	1.6
133.02942	0.6
135.04526	1.1
137.10339	0.5
146.03752	7.1
147.04500	0.8
149.02461	44.2
150.03246	34.8
151.03590	1.1
161.02484	0.7
161.04785	0.9
161.06119	3.1
163.03996	2.5
164.04803	17.6
165.05579	54.9
166.05899	2.7
175.02530	0.8
179.03603	0.6
179.07152	17.5
180.04340	3.2
180.07451	0.9
182.02150	1.0
191.61346	0.6
195.06636	49.6
196.06941	3.9
197.04550	1.8
211.06235	0.7
280.07455	1.4
281.08240	1.0
283.09833	1.4
297.07788	1.2
312.10034	22.1
313.10342	1.7
327.12366	100.0
328.12726	11.1
337.09567	0.7
356.28262	0.7
357.13223	0.8
371.68405	0.6
375.14490	34.7
376.14801	6.0
384.79526	0.6
405.20428	0.6
417.93237	0.6
435.10666	0.8
455.46451	0.6
461.14676	0.9
526.23645	0.6
537.25153	1.2
555.60748	0.6
597.17987	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	595.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98833	2.4
71.02198	0.8
71.02538	0.4
76.96460	0.3
78.95908	67.9
96.96972	12.7
96.97583	0.7
121.02974	0.4
128.73167	0.3
150.98048	1.1
152.99605	58.5
153.99969	0.8
159.04726	0.3
171.00650	0.9
181.91785	0.5
197.91254	1.4
211.04678	0.3
215.92331	0.5
223.00041	2.4
241.01181	29.4
242.01447	1.3
253.93864	0.5
259.02206	0.8
271.94907	0.6
279.23279	61.9
280.23639	7.7
315.04849	8.2
332.93344	0.3
333.06219	0.5
415.22592	4.8
416.23001	0.5
427.70880	0.3
433.23615	1.0
543.57214	0.4
577.14648	0.8
595.28894	100.0
596.29254	17.9
603.01636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
62.96429	0.4
63.85196	0.4
69.43343	3.6
75.16049	0.4
77.18114	0.4
77.78336	0.4
78.95909	56.9
80.91676	1.1
96.96982	10.8
98.19867	0.6
100.72958	0.4
135.88631	0.4
150.77289	0.4
150.98029	1.0
152.99606	85.0
153.99950	1.3
171.00684	2.4
199.04683	0.4
218.53589	0.4
223.00139	10.1
238.02251	0.3
241.01180	22.3
242.01489	1.0
244.53036	0.4
246.33475	0.4
259.02267	1.5
261.22235	0.8
279.23282	61.3
280.23615	5.5
315.04861	13.3
316.05109	0.9
333.05771	1.2
595.28912	100.0
596.29242	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	593.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55231	0.3
61.98832	100.0
66.32552	0.3
69.91817	0.3
70.01659	0.7
70.02062	1.4
82.46927	0.3
98.19941	0.4
106.75021	0.3
129.91737	0.3
135.52959	0.3
174.70003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22050	0.3
59.01376	0.6
61.98831	100.0
62.98552	0.3
71.01395	1.7
71.70889	0.2
71.71322	0.3
72.99326	0.3
83.01418	0.6
83.02548	0.2
85.02953	0.2
87.00903	0.7
89.02435	0.2
96.96049	0.5
101.02499	0.3
109.02961	0.8
111.00943	1.1
113.02507	0.6
113.99630	0.5
115.00391	3.6
116.00730	0.3
119.05080	0.3
123.04596	0.3
128.03528	0.3
133.01451	5.5
134.01759	1.2
135.01904	1.4
135.04549	1.6
136.02202	0.3
136.04857	0.5
139.00371	1.8
149.02478	0.4
156.00665	1.2
157.01442	3.2
161.02443	0.3
162.03015	0.3
163.04077	0.5
174.01707	1.6
175.02521	3.4
175.03995	0.5
177.02007	0.3
179.03590	1.2
180.03923	0.7
181.03847	0.2
188.04861	0.3
189.01848	0.3
190.16890	0.3
191.03558	0.9
193.05109	1.9
205.01476	0.6
206.02200	0.3
207.06616	1.3
215.03667	0.2
233.04539	0.9
234.05382	1.0
247.06190	0.4
268.90732	0.3
275.05576	0.5
279.05191	0.4
279.08780	0.3
284.43958	0.3
289.07382	0.7
307.08231	10.6
308.08734	1.0
309.06250	0.5
355.10333	0.3
362.09659	0.5
388.10931	0.3
413.11316	0.4
451.12799	0.7
469.13541	6.8
470.13522	1.2
471.11487	1.6
476.43961	0.2
495.11533	0.7
513.12439	4.5
514.13116	0.4
531.13599	0.4
549.65295	0.3
594.13306	0.4
594.29999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
71.32214	1.0
71.32581	0.5
78.95910	71.1
80.93075	0.4
96.96972	14.6
108.84863	0.5
128.10226	0.4
134.98553	0.7
150.98038	0.6
152.99614	63.4
153.99928	1.1
181.71646	0.4
192.69939	0.5
223.00067	2.4
241.01192	34.6
242.01550	1.4
277.21719	52.2
278.22076	6.9
285.04327	0.5
315.04889	9.8
316.05237	0.6
327.18765	0.5
356.25571	0.5
413.20938	5.8
414.21365	0.8
421.93506	0.5
431.21964	0.8
564.03522	0.4
593.27338	100.0
594.27686	19.9
594.35358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03445	2.6
58.48440	0.9
59.01380	100.0
60.01717	1.6
61.98829	11.9
71.01388	13.3
72.99306	1.8
73.02960	4.8
78.95888	1.0
83.01396	4.8
85.02959	8.6
86.71751	0.8
87.00938	1.1
88.98789	1.2
89.02448	2.0
95.01384	2.6
98.20619	2.0
99.00922	1.3
101.02454	8.5
111.00864	2.0
113.02481	6.0
115.00404	1.3
116.92915	0.9
143.03545	1.9
161.04620	1.5
185.15433	1.0
211.16879	1.1
227.03522	2.6
252.77841	0.9
255.02983	2.0
284.03329	3.4
285.03995	4.3
299.25861	2.9
345.30069	4.7
449.58646	1.2
459.33432	1.2
489.34329	73.6
490.34625	11.6
507.35406	23.2
508.35876	4.2
536.15845	1.0
549.36932	6.4
593.15234	4.0
593.33899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
71.00790	1.2
76.94352	0.4
78.95908	63.7
96.81919	0.4
96.96976	11.7
123.53666	0.3
150.98024	0.9
152.99606	99.1
153.99921	2.0
165.57481	0.4
169.77522	0.4
171.00667	2.5
208.58815	0.4
223.00125	10.5
235.25789	0.4
241.01195	26.2
242.01572	0.8
259.02148	1.1
271.12885	0.4
275.20151	0.5
277.21725	48.6
278.22055	5.7
315.04880	16.9
316.05206	0.9
333.05945	1.2
387.92804	0.4
419.70251	0.3
514.68872	0.4
593.27338	100.0
594.27625	21.3
600.22516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
70.58499	1.0
70.58900	0.8
73.86920	0.4
76.39066	0.4
78.95911	67.0
96.96975	13.9
150.98047	1.3
152.99609	100.0
153.99947	1.4
171.00653	2.4
182.33208	0.5
209.51666	0.4
214.58868	0.5
223.00137	10.5
224.00465	0.7
241.01195	26.0
242.01511	1.2
259.02319	1.8
277.21735	46.7
278.22034	5.9
315.04871	14.6
316.05139	0.8
333.05902	1.2
593.27338	98.0
594.27649	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81400	0.2
52.16961	0.3
55.01860	0.2
57.03429	0.5
59.01376	8.8
60.99306	0.3
61.98838	2.8
63.42580	0.2
65.00311	0.3
65.23104	0.3
71.01385	3.6
71.72279	0.5
72.99300	0.5
73.02951	2.9
83.01392	1.1
85.02956	1.3
87.00886	0.5
88.98830	1.8
89.02430	1.6
93.03439	0.4
100.01245	0.3
101.02453	2.5
107.01411	1.3
108.02202	1.2
109.02973	0.6
113.02475	1.4
115.00374	0.8
116.92921	0.4
119.03490	0.4
121.02946	0.3
125.02422	0.3
131.05058	0.3
133.01443	1.0
135.00885	1.0
148.01720	1.3
151.00389	2.9
153.01981	0.4
159.04544	0.4
161.04639	0.6
163.00368	1.1
164.01218	0.7
169.01430	0.3
175.02513	0.4
178.99878	1.8
179.05623	0.3
183.04489	0.4
187.04036	0.5
199.04002	0.7
201.01947	0.3
203.03426	0.3
211.04102	0.6
211.08064	0.3
213.05557	0.3
215.03503	0.7
216.04190	0.3
226.02747	1.4
227.03502	7.1
228.03850	0.5
228.29164	0.3
229.05029	1.5
243.02988	9.4
244.03468	0.9
254.02226	1.8
255.02979	31.0
256.03397	3.2
257.04449	0.6
257.53604	0.3
271.02463	51.1
272.02902	4.9
284.03253	8.4
285.04013	11.7
286.04376	0.7
299.01987	1.6
299.05630	2.3
300.02753	100.0
301.03217	11.7
359.15051	0.9
507.28253	0.4
533.30267	0.3
548.27606	0.9
549.28931	7.7
550.29535	1.0
593.15143	75.1
593.31262	2.5
594.15503	14.8
594.23724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01390	0.9
60.14584	0.3
63.02390	0.6
73.85607	0.3
87.76895	0.3
92.40500	0.3
101.02415	0.4
107.01408	1.0
115.00375	0.4
115.87503	0.4
116.76971	0.3
132.02228	1.3
133.01450	1.0
135.00932	1.0
138.09132	0.3
151.00377	2.4
163.00346	0.8
164.01103	0.4
178.99875	1.4
185.06088	0.4
197.90677	0.3
200.04684	0.4
206.29448	0.4
211.04030	1.7
213.09302	0.5
227.03499	38.8
228.03850	3.8
229.05173	1.1
239.03430	0.9
255.02972	72.2
256.03479	9.8
257.04440	1.1
283.02451	1.2
284.03250	100.0
285.03812	17.9
286.04337	1.0
317.10175	0.5
321.75906	0.4
327.05173	0.6
361.09119	0.8
389.13495	0.4
421.39740	0.4
429.08279	1.6
464.34137	0.4
593.15125	75.8
594.15491	13.4
594.23254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22119	0.2
53.76378	0.2
59.01380	0.3
61.98853	0.2
63.02402	0.6
65.00321	0.6
69.44616	1.8
74.92547	0.2
75.07252	0.2
83.01393	0.7
89.02415	0.3
91.01923	0.5
93.03477	1.6
93.35262	0.2
95.01420	0.2
98.20670	0.4
101.02428	0.2
106.49616	0.2
107.01401	2.2
109.02973	0.8
117.03487	0.2
125.02468	0.4
131.05006	0.2
132.02193	0.6
135.00891	1.4
137.02473	0.4
142.66922	0.2
143.05031	1.0
145.02986	0.5
145.06601	0.4
149.02385	0.2
151.00388	2.7
153.01938	0.6
155.05080	0.3
157.06607	0.8
159.04546	1.2
163.00414	2.8
164.01112	0.5
165.01886	0.5
167.05031	0.7
169.01468	0.4
169.06616	0.6
171.04552	0.9
173.02448	0.3
174.03294	0.2
175.02560	0.3
175.04019	0.3
175.41121	0.2
178.99867	0.5
182.03720	0.2
183.04532	0.9
184.05377	0.2
185.02467	0.3
185.06110	2.8
187.04016	3.0
188.04300	0.2
189.05560	1.2
190.99799	0.3
193.05061	0.3
195.04549	0.6
196.05264	0.3
197.06027	1.0
198.03110	0.2
199.04024	1.3
200.04745	0.3
201.05559	0.8
209.00836	0.3
211.04001	2.7
212.04675	0.6
213.01926	0.2
213.05516	1.9
214.02728	0.4
215.03435	0.3
217.05026	0.3
223.04033	0.4
226.02644	0.2
227.03503	38.1
228.03880	3.0
229.05051	12.0
230.05354	1.1
239.03471	1.9
240.04167	1.2
241.05051	1.8
242.05342	0.2
243.02931	0.4
255.02979	61.1
256.03519	9.1
257.04535	7.3
258.04941	0.5
267.02878	1.1
283.02472	0.8
284.03259	73.0
285.04013	98.4
286.04388	8.2
286.07672	0.3
297.03873	0.2
327.04974	1.1
593.15125	100.0
594.15479	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	593.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.5
61.98837	1.3
66.58723	0.9
71.01387	44.5
71.72549	1.5
72.01771	1.6
72.99312	8.9
73.02943	2.4
74.02456	1.2
78.28761	0.9
83.01393	2.0
85.02952	3.0
87.00895	2.0
88.98805	1.1
89.02457	10.6
93.03469	9.6
95.05066	2.2
96.96075	1.5
101.02465	7.2
104.75764	1.0
107.05048	2.2
108.02191	1.2
109.02958	9.0
109.06590	2.3
111.00906	1.2
113.02463	2.8
115.00389	73.5
115.92163	1.1
116.00723	4.1
116.92931	1.7
117.00792	1.3
119.05025	6.9
120.01253	2.4
120.05370	1.0
121.02988	2.5
123.04536	2.2
127.05163	1.3
128.03543	1.7
133.01450	100.0
133.06607	1.3
134.01802	5.2
134.02881	1.0
134.03757	7.6
135.01872	3.6
135.04550	38.1
136.04868	12.0
137.05038	3.5
137.75797	1.0
145.02863	1.4
149.02483	1.3
149.04567	4.8
149.06093	12.8
150.03215	4.0
150.06395	1.5
151.04002	1.6
154.99889	2.5
161.02451	1.1
161.04639	1.8
161.06070	3.6
162.06425	1.3
163.03995	6.4
165.05574	3.8
171.08130	1.5
172.05304	1.1
175.07651	2.4
178.02695	4.4
179.03500	29.9
180.03842	12.3
181.03876	5.0
185.06059	3.6
193.05074	12.5
195.06587	1.7
198.06812	3.3
199.07629	2.4
201.09134	2.0
205.05165	1.5
211.07660	3.8
212.08376	1.8
213.09219	56.1
214.09714	6.0
223.04639	2.1
225.05641	1.5
227.07056	1.2
227.10724	5.3
229.12335	53.7
230.12668	4.6
235.05928	1.0
236.08180	1.3
237.09151	4.6
239.07137	10.6
240.07906	1.7
255.10294	12.9
271.09982	1.7
272.10059	2.5
273.11292	39.2
273.14279	2.0
274.11624	4.2
297.07794	1.2
298.08121	1.2
299.09290	15.6
300.09488	1.5
311.09732	1.0
315.08780	1.5
316.09024	1.8
317.10294	58.7
318.10803	5.3
343.08246	14.6
344.08340	1.4
345.10736	1.8
359.07706	3.6
360.07916	4.1
361.09268	98.5
362.09726	11.2
383.07538	1.3
389.12378	3.8
401.14832	1.6
459.09192	1.9
475.08197	1.1
477.10300	21.9
478.10632	4.3
506.15311	1.3
529.07770	1.2
593.13763	3.2
593.25305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.09215	0.9
57.03445	2.7
59.01381	100.0
60.01696	0.8
61.98835	6.9
69.03460	1.1
70.32079	3.3
71.01386	16.0
72.99313	1.4
73.02950	5.1
78.95924	2.5
79.13663	0.8
83.01391	5.6
85.02954	9.5
85.15346	0.8
87.00889	2.7
88.56186	0.8
89.02454	1.9
95.01408	1.1
96.96915	0.8
97.02963	0.8
99.00908	1.8
99.04520	1.0
101.02456	8.6
113.02470	7.2
115.00363	1.9
131.59851	0.8
133.01454	2.9
135.04535	1.2
143.03531	1.7
159.03001	1.1
161.04584	2.9
179.03531	0.9
183.14015	0.8
197.15556	1.0
271.09720	1.0
297.24506	4.2
298.63104	0.7
343.24841	1.7
343.28546	6.3
344.29047	1.0
351.20178	0.8
359.07440	1.6
369.26669	0.9
431.26483	1.0
455.78809	1.0
487.32764	60.7
488.33026	9.2
505.33881	27.8
505.39905	0.5
506.34171	4.7
531.31024	1.1
547.30890	4.4
591.34027	10.9
592.33856	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40696	0.7
59.01382	14.0
59.44598	0.7
61.98827	3.1
69.79210	1.3
69.79632	4.1
71.01389	16.5
72.01717	0.8
72.99319	1.7
75.00864	0.7
83.01392	0.9
89.02443	1.8
98.19884	1.5
101.02431	1.7
108.02252	0.8
109.02965	5.2
115.00385	35.1
116.00683	1.4
132.02202	1.1
133.01454	43.9
134.01746	1.2
135.00911	1.3
135.04535	4.0
136.04831	0.8
149.06038	1.1
151.00369	1.9
152.28397	0.7
163.00398	1.1
172.05217	0.8
175.07654	2.2
182.81061	0.7
183.04605	1.0
185.06113	2.2
187.07603	0.8
189.01898	0.8
198.06874	3.3
211.04114	2.1
211.07738	1.8
212.08377	0.8
213.09218	40.5
214.09653	3.5
227.03505	35.9
227.06911	1.3
227.10799	2.6
228.03894	3.3
229.05074	1.8
229.12320	19.7
230.12712	1.7
237.09236	1.7
239.03609	1.0
239.07127	9.2
240.07701	1.3
255.02982	68.4
255.10173	4.2
256.03482	8.6
257.04446	1.7
273.11328	13.5
274.11664	1.1
283.02618	1.3
284.03262	100.0
285.03836	18.4
286.04297	0.9
299.09229	11.6
300.09641	1.9
317.10312	39.5
318.10681	4.4
327.05118	1.0
343.08212	2.9
361.09286	47.6
362.09628	5.8
429.08420	1.6
459.09402	2.2
477.10443	11.5
478.10825	2.4
561.17719	0.8
593.15137	79.9
594.15625	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	591.2614
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.83090	0.3
59.01368	0.4
65.69913	0.3
71.74055	0.5
82.06506	0.3
100.59081	0.4
106.06638	0.9
139.25681	0.3
154.39566	0.3
187.06285	0.4
396.16721	0.8
429.21719	0.5
443.22845	1.7
444.19641	0.5
445.19403	1.6
446.20691	0.4
456.23376	0.7
457.10437	0.4
458.20798	0.9
459.21616	2.2
459.58514	0.4
460.22443	0.7
462.20782	0.7
471.20822	1.1
471.25620	2.2
472.23462	1.6
473.23376	1.2
482.21176	1.4
483.21530	0.4
485.19678	1.9
486.19742	0.5
487.25684	2.9
488.22775	0.5
488.25119	0.5
489.22894	0.5
497.23315	3.3
498.23904	0.9
499.21448	3.9
500.22186	12.6
501.22693	2.3
503.20844	0.4
504.21472	1.0
513.23059	0.8
514.23828	1.6
515.24518	100.0
516.24823	19.8
519.24030	0.7
547.27045	0.9
559.23480	4.9
560.24030	1.2
591.26270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28510	0.3
71.01384	6.9
71.02422	0.7
72.99319	1.2
87.00880	0.3
89.02470	0.8
98.94057	0.2
107.05025	0.3
115.00390	19.2
116.00707	0.6
120.18126	0.3
133.01451	100.0
134.01805	2.7
134.03725	0.8
135.04539	13.4
136.04912	0.7
154.09621	0.2
179.03517	24.9
180.03809	1.4
189.69290	0.3
295.04605	5.9
296.04941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29106	0.9
55.01859	2.0
57.03444	3.8
58.00583	1.9
59.01379	100.0
60.01694	2.0
60.99297	3.6
61.98829	9.8
63.52544	1.0
69.03441	1.3
69.33268	0.9
71.01385	66.8
71.05013	1.1
71.74048	1.3
72.99323	5.4
73.02950	18.6
74.02446	1.7
75.00858	1.4
83.01389	7.3
83.05017	2.9
85.02956	12.8
87.00887	13.6
88.98260	1.1
88.98814	19.1
89.02452	45.1
94.31490	1.0
95.01376	2.9
96.00926	1.2
97.02934	2.2
97.06593	1.6
99.00875	3.6
101.01775	1.9
101.02452	39.0
106.58511	0.9
107.05024	4.3
109.02987	5.4
109.30041	1.1
111.00912	1.2
111.05600	1.0
113.02468	24.7
114.02743	1.0
115.00391	28.9
115.04005	2.4
116.00726	1.1
116.92899	4.8
119.03512	13.1
119.05006	3.4
125.02396	1.7
129.01932	1.5
131.03552	8.7
133.01448	62.6
133.10280	1.0
134.01741	2.8
134.03728	2.0
135.03009	1.7
135.04538	42.6
136.04886	2.3
136.07648	3.3
136.08629	0.9
143.03484	4.3
147.04501	1.0
149.04539	2.5
149.06081	0.9
153.05563	4.4
155.32100	1.0
159.03026	2.0
159.08134	1.8
161.02492	1.4
161.04579	17.4
161.09749	8.6
161.13336	4.5
163.04001	1.2
163.11302	1.5
164.04410	1.1
172.08876	1.1
175.02446	2.4
179.03479	38.4
179.05588	27.6
180.03827	4.2
180.06285	1.5
187.11284	13.8
189.09219	6.1
193.04961	1.6
197.04588	6.5
197.09764	1.6
203.10844	1.3
205.12349	6.3
207.10339	2.2
211.07462	1.4
219.17122	1.0
221.06694	22.6
222.07347	1.0
223.13391	14.5
224.13594	1.2
249.11293	11.1
250.11612	1.5
255.02759	1.1
259.14395	1.1
263.07690	18.3
267.12390	16.1
268.12552	1.3
271.09833	2.3
277.03519	14.1
278.03818	1.3
285.03995	1.3
295.04489	8.0
296.05014	1.3
301.03391	2.0
313.05539	3.6
323.10022	1.5
325.20056	3.4
335.25092	1.0
339.14304	1.8
341.10803	3.4
342.11505	1.5
359.07458	2.3
411.16388	4.1
429.17584	3.3
471.18863	2.3
475.08740	1.8
487.25195	1.7
505.26422	2.3
529.26587	1.7
547.27533	46.8
548.27844	8.1
573.21649	4.3
590.31213	1.3
591.22827	97.7
591.30243	4.1
592.23041	18.2
592.31348	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65285	0.3
61.98828	0.7
66.11059	0.3
69.33009	0.3
71.73574	0.7
72.99314	1.3
74.02455	0.5
75.00878	100.0
75.51624	0.3
76.01228	1.3
78.95916	0.7
84.32357	0.3
152.99620	0.6
167.11511	0.3
200.73788	0.3
230.74115	0.3
230.84795	0.3
254.05920	1.1
260.76489	0.3
263.51312	0.3
277.21826	1.3
334.01495	0.4
357.09958	0.4
410.91626	0.3
505.25992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26123	0.2
61.98826	0.7
64.71391	0.2
72.99313	1.7
73.25271	0.2
75.00879	100.0
76.01205	1.2
78.95922	0.3
86.12914	0.2
88.30650	0.2
93.99718	0.2
104.97250	0.2
134.35408	0.2
145.94795	0.2
199.53564	0.2
255.76744	0.2
277.21866	0.7
301.64948	0.2
357.09781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
58.00592	1.3
59.01380	100.0
60.01709	1.1
61.98832	7.8
69.03458	2.1
71.01386	40.5
72.99311	2.2
73.02538	0.9
73.02955	19.2
74.03313	0.9
75.00871	2.2
75.40073	0.8
83.01395	9.6
85.02966	12.8
87.00858	3.8
88.98816	0.9
89.02455	15.9
93.03461	1.0
95.01402	1.3
95.05078	0.7
96.96030	3.0
97.02972	1.0
98.20663	1.5
99.00890	1.7
101.02456	40.9
104.02433	0.8
108.08239	1.9
109.02954	1.2
113.02465	23.1
115.00403	9.4
116.92861	1.2
118.98132	0.9
119.03558	4.9
119.05035	13.0
120.01248	1.2
121.05327	1.0
123.04511	1.0
125.02438	2.8
128.03577	1.0
131.03516	23.0
133.01451	9.8
133.02962	1.1
134.03772	9.3
135.03041	2.3
135.04413	0.8
136.04079	2.7
136.07700	56.5
143.03459	1.6
149.04562	3.8
149.06091	3.7
154.99852	1.1
159.04449	1.2
161.04576	3.3
163.04030	11.1
173.04570	1.4
175.02515	2.2
178.02646	1.5
179.05649	1.9
179.10742	1.2
180.06674	40.8
191.05626	11.5
193.05051	8.4
194.08250	2.8
218.02184	0.8
221.06729	2.1
222.07654	2.4
233.04604	1.9
233.06662	2.9
235.13361	2.1
249.35767	0.9
263.24945	0.8
275.07584	1.0
281.01752	0.8
282.09814	2.6
293.08707	1.9
313.10916	1.1
323.18799	1.1
340.83334	0.9
342.12018	3.8
357.09796	23.3
358.10049	2.4
384.13004	16.2
387.02585	0.8
387.16870	1.0
389.25403	4.0
527.25031	1.3
545.18787	1.8
545.26007	25.2
546.18372	2.6
546.26306	3.9
557.83759	0.8
589.21313	1.5
590.31860	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	589.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43573	0.6
71.01389	10.4
71.32548	1.2
72.99330	0.9
89.02444	0.6
92.62198	0.4
93.03484	2.2
96.99338	0.9
105.03491	1.0
105.96537	0.5
108.02179	0.5
115.00398	16.7
116.00711	0.6
117.03454	0.6
119.05044	16.9
120.05386	1.3
122.03740	0.5
123.04536	2.5
131.04955	0.9
133.01456	27.5
133.02956	6.7
134.01840	0.6
134.03766	16.1
135.04547	6.1
143.05029	3.0
145.03017	1.0
146.03767	0.7
146.08287	0.6
147.04530	0.7
148.05339	1.2
149.06104	4.4
158.03780	1.3
159.04561	3.3
161.06149	0.7
163.04021	10.4
164.04430	0.6
177.01932	4.3
178.02782	1.6
183.04527	0.9
193.05069	9.6
194.05331	0.7
195.10985	0.5
196.05336	0.5
203.03535	0.7
211.07645	0.8
226.06375	0.7
239.06900	0.7
241.08672	1.1
242.12184	0.5
251.07080	4.9
252.07791	2.9
253.08759	3.7
254.09499	3.3
267.10260	1.1
269.11929	0.9
279.06488	1.9
280.07477	4.4
281.07727	0.7
295.09644	4.5
313.07382	0.8
313.10864	7.1
324.06509	0.6
339.08893	2.9
357.09805	100.0
358.10208	12.0
473.10654	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	589.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
59.66103	0.2
65.00315	0.3
66.37092	0.2
69.81519	0.8
69.81944	0.9
71.01389	4.1
82.69540	0.2
89.02444	0.6
90.55979	0.2
91.01907	1.5
93.03458	3.2
95.01327	0.3
96.99314	3.5
101.02456	0.3
108.02181	0.8
115.00384	5.3
117.03473	0.9
119.05036	6.0
120.01292	0.6
121.02946	0.3
123.04545	5.2
124.01702	0.3
124.04953	0.3
130.04253	0.4
131.05038	1.3
133.01448	4.5
133.02965	1.0
134.02724	0.3
134.03755	6.1
137.02458	0.6
143.05052	6.5
145.02954	1.4
146.03769	2.2
147.04483	0.7
148.01645	0.4
148.05318	0.5
149.04724	0.3
149.06094	0.7
158.03757	1.8
159.04539	3.9
161.02435	0.3
161.06169	1.2
163.04031	4.3
171.04561	0.4
173.06133	2.0
175.04045	0.5
178.02753	0.7
187.04001	0.5
193.05101	3.1
195.06807	0.3
226.06410	1.9
235.07578	0.7
238.06447	0.3
241.08748	1.8
242.08823	0.3
250.06180	0.7
251.07137	8.7
252.07817	4.0
253.08644	2.9
253.44743	0.2
254.09428	1.7
263.07123	0.4
265.08679	0.7
267.10297	1.1
279.06616	2.9
280.07401	8.1
281.07822	1.0
295.09747	7.9
296.10110	0.7
313.10791	0.6
324.06433	1.2
339.08801	2.7
340.09229	0.5
346.16248	0.2
357.09799	100.0
358.10138	13.1
358.14615	0.3
375.94186	0.3
378.85550	0.2
473.10782	0.7
516.19409	0.3
541.87488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
59.24188	0.3
61.98829	0.4
71.01389	18.9
71.72477	0.8
72.01706	0.5
72.99306	2.8
73.02948	0.8
89.02449	2.4
89.15221	0.3
91.01930	0.6
93.03466	1.2
96.58169	0.4
96.99336	1.0
101.02445	0.8
101.08681	0.3
101.94334	0.3
108.02203	0.4
109.02993	0.4
110.25213	0.4
113.02490	0.4
115.00391	43.5
116.00730	1.1
117.03537	0.7
119.05046	13.4
120.01253	2.4
120.05410	0.4
121.02969	0.4
123.04559	1.6
131.05103	0.5
133.01454	100.0
134.01799	2.3
134.03769	11.7
135.03044	0.8
135.04553	4.2
143.05042	2.3
145.02998	0.7
146.03738	1.0
147.04547	0.8
148.05278	0.9
149.06094	4.1
158.03766	0.6
159.04512	1.1
161.06120	0.5
163.04013	5.2
173.06108	0.6
178.02725	0.8
193.05083	4.4
211.07640	0.7
225.05644	0.4
226.06377	0.5
238.30800	0.3
251.07097	2.6
252.07841	2.4
253.08740	3.0
253.58464	0.3
254.09483	3.2
267.10144	0.6
269.11893	0.6
279.06607	1.0
280.07452	3.4
295.09818	2.5
313.10825	5.4
314.11108	0.6
339.08820	1.2
357.09811	73.9
358.10181	7.8
473.10922	0.9
545.26111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05962	1.0
59.01369	2.0
62.15337	0.9
69.38337	11.5
71.01385	15.5
72.99311	2.1
81.66341	0.9
98.19738	1.4
109.02926	1.5
115.00383	26.2
117.03503	2.2
117.09325	0.9
119.05044	21.9
120.01286	2.0
120.05371	1.1
133.01450	100.0
134.01759	2.1
134.03761	24.0
135.04559	2.1
149.06071	3.6
163.04031	28.7
164.04356	1.5
178.02692	2.7
193.05077	34.5
194.05310	1.3
251.07210	2.2
253.08607	2.1
254.09464	1.0
279.05142	3.9
280.07510	1.3
295.09674	2.0
309.06131	1.0
313.10815	4.1
357.09790	45.9
357.47437	0.9
358.10245	4.4
370.76425	1.0
518.55048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98817	0.3
62.25716	0.2
68.27478	0.2
69.62554	1.4
69.62966	0.6
71.01385	7.2
73.02928	0.4
89.02448	0.5
91.01914	0.4
93.03461	1.8
96.99303	1.0
98.19874	0.5
101.02441	0.4
113.02450	0.4
113.86449	0.2
115.00389	9.0
117.03494	0.6
119.05041	16.9
120.01279	1.1
120.05380	0.6
121.02947	0.4
123.04526	1.4
125.02393	0.2
129.73581	0.2
131.05045	0.7
132.05818	0.7
133.00443	0.4
133.01454	7.7
133.02989	0.9
134.03757	15.8
135.03030	0.5
135.04552	7.2
143.05063	1.9
144.78667	0.2
145.02969	0.8
146.03735	0.8
147.04495	0.5
148.05319	0.7
149.06097	3.9
158.03740	1.3
159.04533	2.5
161.04688	0.3
161.06104	1.0
163.04018	3.7
171.04517	0.3
173.06105	1.1
174.03259	0.4
178.02701	0.6
183.04524	0.8
193.05060	2.9
195.04549	0.4
196.05266	0.3
199.99330	0.2
211.07680	1.3
226.06424	0.6
241.08662	0.8
250.06358	0.4
251.07133	5.9
252.07825	2.8
253.08656	4.0
254.09430	2.6
265.08652	0.6
267.10266	0.7
269.11804	0.5
279.06689	1.9
280.07394	5.0
281.08005	0.3
295.06531	0.2
295.09756	4.6
296.10086	0.6
313.10818	11.6
314.11182	1.1
324.06213	1.4
339.08759	3.3
342.61771	0.3
357.09793	100.0
358.10129	11.9
358.14694	0.3
473.11038	1.6
534.63812	0.3
545.25793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03455	2.3
57.86206	0.5
58.00592	1.3
59.01379	100.0
60.01700	1.6
61.98830	25.4
69.03477	2.0
71.01385	34.8
71.05959	0.9
71.06335	1.2
72.01723	0.7
72.99328	2.4
73.02951	18.3
74.02479	0.7
74.99123	1.7
75.00883	2.3
83.01392	12.8
83.01873	0.8
83.05039	0.7
85.02956	14.1
87.00887	7.0
89.02455	19.7
95.01429	0.9
96.00947	0.9
96.96009	0.9
97.03005	0.6
99.00914	1.3
101.02454	54.8
102.02826	1.8
111.00927	1.0
113.02460	24.5
113.99603	0.9
114.02799	1.0
115.00388	10.4
115.01137	0.9
119.03533	4.5
120.08247	0.7
122.06200	1.0
125.02459	1.2
127.05190	0.6
131.03520	32.4
132.03889	1.0
133.01450	0.8
139.00409	1.3
143.03532	1.4
147.03125	0.6
149.04587	0.9
154.99911	1.0
157.01472	1.1
161.04588	2.1
163.11325	0.6
175.02489	20.5
176.02867	1.0
180.56615	0.5
187.11305	0.8
191.05634	19.2
192.06055	1.0
205.12491	0.6
223.13377	2.7
233.06677	6.7
233.11804	0.9
243.12512	1.6
267.12399	2.3
310.09656	0.7
313.11975	0.6
337.07599	0.6
407.13599	1.0
425.14502	11.4
426.15128	1.4
438.20288	0.7
445.15985	0.6
450.78217	0.6
464.07098	0.7
525.68372	1.6
526.18262	0.8
543.24976	1.0
551.38806	0.8
560.47748	0.8
587.19104	7.4
588.20093	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	587.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
57.03443	1.5
58.00588	1.6
59.01384	100.0
60.01739	1.1
61.98837	11.5
62.00358	0.5
69.03459	2.1
69.78631	0.6
71.01389	31.5
71.50907	0.7
71.51257	1.5
72.99326	2.4
73.02956	18.2
74.02485	1.0
75.00888	0.9
77.07666	0.6
81.19514	0.8
81.56847	0.6
83.01402	12.7
85.02961	14.2
86.13212	0.6
87.00890	3.7
88.98808	0.7
89.02457	16.8
95.01424	1.5
96.96038	1.2
99.00914	1.0
99.04533	0.9
99.92623	0.7
101.02461	54.4
102.02824	1.3
107.65202	0.6
111.00905	0.7
113.02474	20.5
113.03247	1.3
114.65105	0.6
115.00380	5.7
116.92870	1.6
119.03528	3.6
122.06120	1.5
125.02508	1.6
128.03612	1.3
131.03529	31.8
132.03885	0.8
133.01491	1.2
139.00331	0.7
141.06615	0.8
143.03569	1.7
143.04657	0.7
153.97452	0.7
154.99925	2.1
157.01459	1.2
159.06656	1.4
161.04590	1.8
173.04510	0.7
175.02509	10.3
176.02992	0.8
191.05630	16.8
212.01572	0.7
233.06746	5.7
249.40140	0.6
300.80731	0.6
319.06689	1.1
337.07935	1.2
389.25604	1.0
425.14508	4.2
543.24646	1.3
587.12189	0.8
587.19403	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	587.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58931	0.5
55.01867	1.4
57.03445	1.9
58.00598	1.2
59.01379	100.0
60.01722	1.4
61.36594	0.5
61.98835	9.6
69.03459	2.0
71.01387	38.7
72.99324	2.2
73.02953	17.7
78.95919	1.0
79.20200	0.5
83.01399	10.5
85.02956	15.2
85.03443	0.9
86.03322	0.5
87.00891	1.3
89.02451	16.3
89.02993	1.1
95.01392	1.1
97.03022	0.7
99.00906	2.5
101.02456	50.8
102.02848	1.2
113.02467	25.8
115.00367	0.8
115.03974	0.8
119.03510	6.0
125.02491	2.1
128.77135	0.5
131.03523	32.7
132.03923	0.9
136.07771	0.6
143.03564	1.9
149.04585	2.1
152.06361	0.6
161.04602	3.6
173.04643	2.2
179.05624	1.1
179.84592	0.6
191.05647	20.0
192.06099	1.0
228.37347	0.6
229.69748	0.8
233.06667	5.1
293.08890	2.0
353.11133	0.6
483.30023	1.3
501.30716	0.7
543.24524	0.7
587.32727	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	587.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.40042	0.6
57.03454	4.2
59.01379	71.4
60.01713	1.4
60.27757	0.7
61.79382	0.6
61.98830	51.6
69.36148	0.6
71.01385	20.7
71.05037	1.4
71.27733	1.0
71.28079	1.4
71.56335	0.6
72.99323	2.2
73.02945	7.2
75.00884	1.5
83.01401	6.8
83.05039	1.6
85.02959	12.4
86.64557	0.7
87.00884	25.9
87.01425	1.3
89.02462	5.0
95.01380	0.9
96.96046	2.1
99.00887	1.6
99.04523	0.6
100.39472	0.7
101.02452	8.2
111.00883	6.4
111.04487	0.7
112.98848	1.3
113.02468	17.1
113.99618	0.9
115.00384	49.6
116.00742	1.8
116.92914	1.1
119.03531	1.7
122.06097	1.1
125.06099	0.7
127.00446	1.3
128.03575	0.7
129.01996	1.2
130.08737	0.7
131.03529	7.2
133.01402	1.0
135.04538	0.9
137.06010	0.8
139.00386	7.5
143.03522	1.0
149.04561	1.8
154.99901	4.1
157.01445	20.2
161.04582	1.4
161.09717	3.4
161.13396	1.8
163.11314	1.7
174.01738	1.2
175.02492	83.0
176.02841	2.7
179.05603	1.1
185.13338	0.8
187.11316	2.8
189.09233	1.0
191.05534	1.0
201.11342	0.7
203.10783	0.8
205.12349	2.7
207.10243	2.0
221.06572	0.8
223.13373	17.3
224.13728	1.4
231.10176	0.8
249.11362	1.1
267.12347	14.3
268.12735	1.3
277.05630	1.7
319.06665	0.7
337.04016	1.1
337.07755	9.6
338.07822	0.7
363.14264	0.7
365.12402	2.4
383.20770	0.8
407.13425	20.4
408.13651	3.0
411.50674	0.6
425.14517	100.0
426.14911	12.2
429.17493	1.2
543.24170	0.8
569.18658	1.8
586.35065	0.9
587.19580	22.7
588.19476	3.5
588.36053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1985
Annotation	Devenyoside C
Peak:m/z	Relative Intensity
55.01884	0.8
55.40042	0.6
57.03454	4.2
59.01379	71.4
60.01713	1.4
60.27757	0.7
61.79382	0.6
61.98830	51.6
69.36148	0.6
71.01385	20.7
71.05037	1.4
71.27733	1.0
71.28079	1.4
71.56335	0.6
72.99323	2.2
73.02945	7.2
75.00884	1.5
83.01401	6.8
83.05039	1.6
85.02959	12.4
86.64557	0.7
87.00884	25.9
87.01425	1.3
89.02462	5.0
95.01380	0.9
96.96046	2.1
99.00887	1.6
99.04523	0.6
100.39472	0.7
101.02452	8.2
111.00883	6.4
111.04487	0.7
112.98848	1.3
113.02468	17.1
113.99618	0.9
115.00384	49.6
116.00742	1.8
116.92914	1.1
119.03531	1.7
122.06097	1.1
125.06099	0.7
127.00446	1.3
128.03575	0.7
129.01996	1.2
130.08737	0.7
131.03529	7.2
133.01402	1.0
135.04538	0.9
137.06010	0.8
139.00386	7.5
143.03522	1.0
149.04561	1.8
154.99901	4.1
157.01445	20.2
161.04582	1.4
161.09717	3.4
161.13396	1.8
163.11314	1.7
174.01738	1.2
175.02492	83.0
176.02841	2.7
179.05603	1.1
185.13338	0.8
187.11316	2.8
189.09233	1.0
191.05534	1.0
201.11342	0.7
203.10783	0.8
205.12349	2.7
207.10243	2.0
221.06572	0.8
223.13373	17.3
224.13728	1.4
231.10176	0.8
249.11362	1.1
267.12347	14.3
268.12735	1.3
277.05630	1.7
319.06665	0.7
337.04016	1.1
337.07755	9.6
338.07822	0.7
363.14264	0.7
365.12402	2.4
383.20770	0.8
407.13425	20.4
408.13651	3.0
411.50674	0.6
425.14517	100.0
426.14911	12.2
429.17493	1.2
543.24170	0.8
569.18658	1.8
586.35065	0.9
587.19580	22.7
588.19476	3.5
588.36053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1989
Annotation	Devenyoside C
Peak:m/z	Relative Intensity
55.01897	0.7
57.03447	3.2
57.93644	0.4
58.00604	0.8
59.01381	46.5
60.01710	0.6
61.23146	0.5
61.98832	4.8
67.01889	0.6
69.03471	0.7
71.00996	0.8
71.01388	16.0
71.05034	0.9
72.99319	1.9
72.99686	0.4
73.02950	5.0
74.02477	0.8
75.00909	0.6
83.01386	4.7
83.05041	1.3
84.01743	0.4
85.02957	5.4
87.00884	17.7
88.98862	0.5
89.02449	4.5
96.81210	0.4
96.96026	0.7
97.06602	0.6
99.00890	0.9
101.02467	5.8
107.05043	0.5
111.00911	1.9
112.98813	0.8
113.02467	6.4
113.99686	0.4
114.01915	0.5
115.00389	40.4
116.00739	1.0
119.03515	1.2
122.06117	0.8
127.00448	0.6
128.03580	0.6
129.01984	0.7
131.03513	1.2
133.01460	0.6
134.03737	0.5
139.00369	2.8
149.04482	0.6
154.99905	1.5
157.01436	5.5
161.04597	1.0
161.09720	1.5
161.13365	1.4
163.11288	0.9
175.02496	100.0
176.02840	3.6
179.05592	0.5
181.81462	0.4
187.11317	1.6
189.09227	0.7
189.12883	0.8
191.05721	0.8
205.12323	1.6
207.10289	4.1
208.19803	0.4
211.59564	0.4
223.13402	11.0
224.13789	0.6
233.11835	1.8
247.29741	0.5
249.11125	0.4
267.12360	6.5
319.06827	0.9
337.07959	0.6
407.13409	2.1
425.14532	86.8
426.14890	12.0
429.17560	0.7
543.23688	0.8
544.18213	0.5
553.23175	1.0
587.19714	16.7
587.30939	0.7
588.20093	2.8
588.28558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.51982	0.3
57.03455	1.9
58.00596	0.4
59.01379	34.4
60.01708	0.6
61.98832	6.3
64.76173	0.3
67.01897	0.5
68.99820	0.5
69.03462	0.4
71.01386	17.6
71.05012	0.5
71.74184	0.4
72.01689	0.3
72.99303	1.7
73.02949	2.7
75.00887	0.5
83.01391	3.6
83.05058	0.7
85.02959	4.9
87.00884	23.0
88.01227	0.4
88.98808	0.3
89.02465	2.2
90.36088	0.3
95.01402	0.7
96.00938	0.6
96.96007	0.4
96.99311	0.3
99.00912	1.3
101.02459	4.2
101.22189	0.3
107.05032	0.5
110.02495	0.5
111.00901	1.2
112.98815	1.0
113.02457	4.7
113.03592	0.4
113.99587	2.0
115.00391	45.1
115.92080	0.4
116.00706	0.9
116.92875	0.8
119.03490	1.1
120.01257	0.5
122.06184	0.3
124.17353	0.3
125.02415	0.3
127.00394	1.1
128.03601	0.3
129.01962	0.5
129.10286	0.3
130.08786	0.4
131.03516	2.5
133.01390	0.3
139.00401	2.7
149.09779	0.3
154.99883	1.3
157.01474	2.3
158.54443	0.3
161.04556	0.6
161.09711	0.6
161.13359	0.6
163.11264	0.4
174.01788	0.6
175.02496	100.0
176.02832	3.5
177.09285	0.5
179.05698	0.3
187.11249	0.8
191.05597	0.9
205.12379	0.6
207.10284	0.8
221.06618	0.5
223.13402	7.1
224.13776	0.5
233.06673	0.4
267.12387	5.7
268.12579	0.4
277.05676	2.0
319.06772	0.3
337.07700	1.0
370.36365	0.3
396.16852	0.3
397.82193	0.3
407.13577	3.2
425.14514	18.0
426.14685	2.2
429.17517	0.5
440.37244	0.3
455.73837	0.3
543.24652	0.6
555.60022	0.3
587.19812	30.7
588.20135	4.8
588.28851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84746	0.2
59.01366	0.4
60.29435	0.2
61.98831	100.0
69.39865	1.2
69.40294	0.8
78.95924	1.5
83.02517	0.2
93.25155	0.2
98.19829	0.3
115.92099	0.2
152.99609	0.8
228.25291	0.2
256.23721	0.3
283.26422	1.8
284.26553	0.4
285.27167	0.2
349.27527	0.7
484.28006	0.3
508.34113	1.4
511.35046	0.4
585.20789	0.4
585.30798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.16998	0.7
71.17329	1.0
72.99312	15.4
73.02963	1.0
84.35576	0.5
91.63501	0.5
99.00903	1.6
109.98827	0.5
113.99607	3.4
118.26260	0.5
152.99760	0.5
156.00687	10.6
174.01723	16.3
174.03165	1.0
175.02538	0.6
221.84108	0.5
277.21725	4.8
329.58005	0.6
335.65848	0.5
405.26263	0.7
423.27466	6.0
423.32129	0.6
461.29092	1.4
461.38950	0.6
463.26871	5.0
464.27710	1.2
497.46878	0.6
505.28214	2.0
523.29688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08450	0.5
57.03440	0.8
58.02973	2.0
59.01379	8.7
61.80942	0.5
61.98830	6.8
69.71394	4.5
71.01389	4.1
73.02971	1.5
73.04075	5.6
74.02483	1.2
82.02981	1.2
82.06608	1.5
82.89546	0.6
83.01403	1.3
84.04563	3.9
85.02949	1.9
87.00877	3.0
87.05654	9.0
88.04024	0.7
88.98811	0.6
89.02454	1.2
94.06624	0.8
95.91965	0.5
96.00919	0.6
97.04104	2.9
98.02485	1.7
98.19907	1.0
99.00938	0.7
99.92638	1.1
101.02459	1.7
102.05620	34.0
103.05951	0.6
108.05130	0.6
110.02461	0.9
113.02460	0.8
113.03528	0.6
113.73793	0.5
115.00384	3.9
115.05152	15.8
115.92091	1.6
116.92889	1.2
117.92884	0.9
122.06153	0.9
123.05585	0.6
123.86016	0.5
125.07238	1.2
126.06747	10.4
127.05145	0.7
127.07022	0.6
128.03557	90.3
129.01859	0.6
129.03902	2.3
129.10336	3.8
130.08757	24.1
131.09117	0.9
139.08763	1.1
140.07196	4.7
144.07803	8.7
146.04611	27.6
147.04919	0.7
153.10349	1.2
154.12430	0.7
154.99887	1.0
155.11893	4.6
157.01419	0.8
165.10374	0.8
167.11975	1.0
168.07797	21.4
168.09207	1.3
169.06219	1.2
169.08237	0.6
171.15036	5.8
175.02516	5.8
182.13036	2.3
183.11418	2.4
186.08841	13.2
187.09045	0.6
193.05028	0.6
194.63414	0.6
197.13036	1.3
197.16612	0.9
199.18213	2.1
200.14066	0.7
207.15077	1.6
208.13397	1.6
212.13994	1.2
215.13997	3.3
223.13335	1.0
224.17641	0.8
225.16148	2.8
230.11554	1.2
231.62881	0.6
238.15671	0.9
241.11955	1.8
242.18826	1.1
243.17166	1.8
252.20764	2.2
259.13007	1.1
267.12366	1.5
268.20221	0.9
270.21851	5.0
271.22131	0.6
277.12277	1.2
281.16119	1.0
284.23428	0.8
295.21451	0.9
313.22122	0.7
314.20724	2.0
327.24051	1.5
355.27301	1.0
357.39124	0.6
371.23224	0.9
389.25421	1.9
399.26108	4.8
400.26675	0.9
407.13666	1.2
413.24060	24.8
414.24545	2.8
425.14749	3.2
439.25626	1.5
457.26666	10.1
458.26840	1.3
482.08301	3.1
483.08432	1.2
498.29297	2.0
542.28284	53.6
543.28741	6.8
568.29816	1.8
586.30963	100.0
587.20117	4.6
587.31195	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	583.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46469	0.1
59.01369	0.2
59.16704	0.1
60.99310	0.3
61.98832	100.0
62.30059	0.1
62.98538	0.1
70.59768	0.2
78.95921	0.8
87.00896	0.1
88.00404	0.6
88.98817	2.7
89.02457	0.4
91.11549	0.1
107.30742	0.1
115.92078	0.1
116.92894	0.2
117.91961	0.1
152.99596	0.5
178.52126	0.1
196.89462	0.1
206.23630	0.1
248.88614	0.1
281.24844	2.0
281.27805	0.1
282.25235	1.0
283.25546	0.6
284.25781	0.3
391.10501	0.1
480.31329	0.1
506.32501	0.9
507.33218	0.2
508.32935	0.1
509.33398	0.5
583.18579	0.4
583.33997	0.4
584.34033	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	583.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56632	0.1
59.01380	0.5
61.98832	100.0
62.98525	0.2
69.56120	1.1
78.95915	2.8
80.96320	0.2
82.96120	0.1
96.87530	0.1
99.92596	0.2
115.92134	0.3
116.92152	0.2
116.92901	0.2
117.91869	0.2
152.99609	1.2
153.99904	0.2
171.00746	0.2
179.89282	0.4
196.89540	0.5
197.89563	0.3
198.89351	0.3
224.07135	0.2
236.92683	0.3
237.92734	0.2
245.04417	0.3
281.24847	1.7
282.25183	0.8
283.25589	0.4
284.25949	0.3
338.36499	0.2
376.44437	0.1
482.26144	0.3
506.32483	1.5
507.33194	0.2
508.33652	0.2
509.33701	0.6
583.19177	1.6
583.34473	0.4
584.19580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
58.02976	2.6
59.01378	4.9
61.98832	23.9
66.03482	1.1
66.21931	0.2
71.01389	3.0
71.07202	0.6
71.07549	0.3
72.00859	0.2
73.02956	0.4
74.02467	0.3
78.48765	0.3
79.32298	0.2
82.03004	0.6
82.06639	0.9
83.01451	0.3
84.04559	2.9
85.02978	1.2
87.00884	0.8
87.05646	6.5
88.04060	0.3
88.98823	0.3
89.02460	0.4
96.96046	0.4
100.04058	0.3
101.02470	1.1
102.05623	22.9
103.05949	0.5
108.04604	0.2
111.00908	0.4
112.04060	0.7
112.07672	0.3
113.02488	0.6
115.00370	2.3
115.08793	1.9
116.07196	10.2
117.07552	0.3
120.01283	0.3
122.09722	0.5
125.07218	0.4
126.05623	2.5
128.03555	57.3
129.03883	1.5
129.06717	10.3
129.10371	4.7
130.05209	0.3
130.08769	1.2
133.01457	1.3
139.08757	0.7
140.05922	0.3
140.07179	1.0
140.10867	0.3
141.06718	0.6
141.10342	1.1
146.04610	17.7
150.08012	0.4
153.06699	0.3
153.10390	0.6
154.99873	0.4
155.08290	0.5
155.11932	1.0
157.01425	0.4
157.13484	5.0
158.13855	0.3
165.10320	1.2
166.08740	2.8
168.13991	0.3
171.08064	0.2
175.02531	1.7
181.13487	1.1
182.11484	0.5
182.13005	5.9
182.24277	0.2
183.11435	1.5
183.13373	0.4
183.15009	0.8
185.16568	1.7
193.13376	1.2
195.15038	0.7
197.16606	0.8
200.14053	6.0
201.12480	3.4
202.12715	0.3
207.15105	0.7
208.13477	0.5
210.16104	0.6
211.14566	3.6
224.11824	0.5
224.14040	9.7
225.14220	0.6
227.10347	0.9
228.17165	1.0
229.15506	1.8
239.10698	0.3
242.15112	5.6
242.17609	0.4
242.18712	0.4
245.11348	1.0
252.20961	0.4
254.18764	0.8
255.18892	0.3
268.20248	0.5
270.21899	1.9
271.02438	0.5
280.23956	0.9
283.09775	0.6
294.21902	0.5
295.21466	0.4
298.25055	1.3
299.25311	0.3
300.02716	1.0
301.03357	0.5
310.21252	0.4
314.20847	3.4
342.23962	0.6
351.27625	0.6
356.21869	0.8
358.19797	0.3
369.28790	2.0
383.30237	0.4
411.29916	0.5
413.27988	0.6
427.29214	1.2
455.28735	21.2
456.28958	3.2
498.32773	0.6
524.34857	0.6
540.34027	1.3
566.31995	0.4
584.33014	100.0
585.33374	19.6
609.14581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03448	3.3
58.00579	0.3
59.01380	39.8
60.01718	0.7
61.98836	7.8
66.24181	0.3
67.01897	0.8
68.34631	0.3
68.99832	0.6
69.03457	0.5
70.87466	0.6
70.87832	0.6
71.01389	16.0
71.05009	0.7
72.99321	1.5
73.02950	2.6
73.13492	0.3
75.00871	0.4
83.01402	5.8
83.05054	1.4
85.02962	6.2
87.00886	35.2
88.01228	0.5
88.98809	1.1
89.02459	0.7
94.06641	0.5
95.01411	0.3
99.00909	1.4
101.02455	1.3
107.05035	0.6
111.00893	4.6
112.98817	1.0
113.02470	4.5
115.00389	61.1
116.00754	0.9
118.95598	0.3
120.05844	0.3
127.00381	0.9
129.01947	1.1
131.03554	0.8
133.01442	3.7
139.00397	8.2
140.00743	0.5
145.10269	0.7
154.99875	0.4
157.01445	17.8
158.01845	0.5
161.09712	2.4
161.13356	1.3
163.11301	0.9
175.02498	100.0
176.02844	3.9
185.11867	0.5
185.13315	0.4
187.11317	3.5
189.09187	0.6
199.58278	0.3
203.10760	0.4
205.12335	2.9
207.10301	2.3
217.03479	0.9
223.13400	10.3
223.15579	0.7
224.13795	1.0
249.11284	1.2
267.12411	6.5
268.12720	0.5
302.66678	0.4
309.13419	0.4
365.12479	1.1
407.13495	10.2
408.13791	1.7
424.30881	0.5
425.14529	62.7
426.14832	8.2
427.14966	0.4
432.93982	0.3
461.19922	0.7
467.15610	3.5
468.16150	0.8
523.34747	2.2
524.34937	0.4
565.15833	0.8
583.16760	39.0
583.25372	2.4
584.17169	7.2
584.26398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
60.01719	0.2
61.98833	100.0
62.98522	0.2
71.01392	2.2
72.01733	0.1
73.02967	0.5
83.01401	0.2
85.02946	0.7
87.00876	0.2
88.04078	0.2
89.02436	0.8
98.19816	0.3
99.00873	0.1
101.02456	1.1
102.02813	0.2
113.01781	0.1
113.02466	0.7
114.02843	0.2
133.01529	0.2
149.04547	0.2
160.70316	0.1
161.04573	0.7
162.04904	0.2
163.70807	0.1
179.05731	0.2
229.80371	0.2
244.28033	0.1
389.21890	0.6
390.22314	1.1
419.11169	0.2
420.11432	0.3
521.25464	0.4
522.26227	2.6
523.26642	0.3
583.22052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11561	0.3
55.96370	0.2
59.01381	21.3
61.98831	1.0
70.34152	1.4
71.01373	0.8
78.95910	23.0
78.98601	0.8
79.53860	0.3
79.72301	0.3
79.95750	1.0
80.96526	9.4
82.96123	0.7
85.02970	0.3
87.00897	0.5
94.98100	2.2
96.96017	0.7
96.96994	0.5
97.02962	0.5
99.92569	0.4
101.02454	0.5
106.98061	0.4
115.92104	1.9
116.92871	1.2
122.97614	0.5
122.98509	0.4
125.02518	0.3
134.97614	0.5
147.18019	0.3
148.99174	0.5
152.98692	0.5
152.99660	4.0
164.98657	1.1
165.98944	0.3
168.04330	3.5
172.95464	0.3
179.89227	1.0
180.89996	1.2
182.80028	0.3
196.89473	2.2
216.54996	0.3
224.06950	8.3
225.00673	1.9
226.01041	1.0
235.91849	0.6
236.92537	0.6
242.08037	1.6
283.26422	100.0
284.26761	10.7
308.03491	0.3
324.73636	0.3
411.18460	0.4
475.15289	0.3
492.16760	0.4
508.34064	75.5
509.34393	12.4
547.17395	0.6
582.30328	17.4
583.19745	5.0
583.30151	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	583.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03447	3.7
58.00606	0.4
58.69102	0.4
59.01381	35.9
61.18819	0.4
61.98832	8.9
67.01881	0.7
70.49476	1.5
71.01387	18.0
71.05021	0.4
72.01750	0.7
72.99297	2.3
73.02956	2.5
80.92307	0.4
82.06944	0.4
83.01399	4.2
85.02959	6.6
87.00885	34.2
90.58848	0.4
95.01371	0.8
99.00908	1.2
101.02464	2.1
102.05656	0.5
111.00912	2.8
112.98840	1.6
113.02454	3.3
115.00388	58.6
115.93021	0.4
116.00719	1.2
127.00372	1.4
128.03572	1.1
129.01949	0.7
131.03505	0.6
137.22572	0.4
139.00407	4.1
149.06175	0.4
154.99858	0.6
157.01440	9.3
161.09779	2.3
161.13383	0.7
163.11266	0.8
175.02495	100.0
176.02855	3.6
187.11340	2.4
189.09293	0.6
205.12338	1.4
207.10242	3.5
217.03564	0.7
223.13402	9.6
224.13814	1.0
249.11273	0.7
267.12314	5.1
268.12753	0.5
381.15686	0.7
407.13464	3.8
408.13614	0.8
425.14520	44.8
426.14902	5.8
465.07397	0.4
467.15576	4.7
469.00052	0.4
482.75449	0.4
521.16803	0.9
523.34607	1.7
539.17853	0.8
565.16211	0.6
583.16705	66.1
584.17114	11.8
584.32190	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	581.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98829	100.0
62.98532	0.2
70.91575	0.2
78.95909	0.8
81.95381	0.1
82.96104	0.4
83.90103	0.1
88.98813	0.2
150.98805	0.1
152.99640	0.4
166.98404	0.1
168.04306	0.1
224.06947	0.2
226.07359	0.1
242.07999	0.1
279.23288	1.8
280.23557	0.7
281.23843	0.4
282.24170	0.3
301.65952	0.1
412.11060	0.1
433.24011	0.1
504.30853	1.3
505.31000	0.3
506.31534	0.3
507.31775	0.8
507.37500	0.1
581.26428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62075	0.1
57.03442	0.4
59.01381	5.9
60.01701	0.2
61.98832	100.0
62.98557	0.2
63.99266	0.2
70.88440	0.3
71.01387	2.4
71.05028	0.1
72.99343	0.2
73.02950	0.7
78.91904	0.1
78.95969	0.1
79.95753	0.2
80.96512	0.6
83.01406	0.4
85.02962	1.1
86.02536	0.1
87.00883	0.4
87.04554	0.2
88.98820	0.1
89.02447	0.9
95.01396	0.2
95.70444	0.1
96.96054	0.2
99.00907	0.2
101.02462	1.3
109.06605	0.1
111.00932	0.2
113.02473	1.2
114.02798	0.1
115.00395	0.6
116.92886	0.2
119.03517	0.3
119.05078	0.2
125.02482	0.2
127.05090	0.1
127.14629	0.1
128.03542	0.3
131.03595	0.1
133.01476	0.4
135.04543	0.2
143.03535	0.2
157.12373	0.1
159.19008	0.1
161.04637	0.4
163.04047	0.1
172.07689	0.1
175.02542	0.8
179.03641	0.1
179.05688	0.1
186.09363	0.1
262.18124	0.2
334.93896	0.1
359.28113	0.3
377.29071	0.7
378.29633	0.3
466.20331	0.1
467.09677	0.6
479.25070	0.2
521.33215	4.3
522.33667	2.5
539.34479	0.8
540.34320	0.6
581.35431	0.3
582.35809	0.3
583.34003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73877	0.1
54.72079	0.1
54.99584	0.1
59.01376	0.3
61.98832	100.0
62.98533	0.2
67.54188	0.1
69.45951	0.8
78.95922	0.3
82.96116	0.1
152.99588	0.4
153.37308	0.1
182.16580	0.1
210.49509	0.1
242.08151	0.1
279.23291	2.2
280.23648	1.1
281.23828	0.5
282.24319	0.3
504.30957	1.0
505.31570	0.3
506.31802	0.2
507.31650	0.6
581.27716	0.3
581.32605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33896	0.6
53.76961	0.6
55.01868	4.1
56.09938	0.5
56.86494	0.6
57.03450	3.7
58.00590	0.8
59.01380	100.0
60.01720	1.5
61.98830	21.1
69.03475	1.4
69.57204	0.7
71.01388	32.3
71.05037	1.3
71.72893	1.1
72.01728	1.1
72.99327	2.8
73.02953	9.7
78.95924	2.7
83.01392	10.3
83.05033	1.4
84.01748	1.0
85.02958	15.4
85.03445	1.1
85.06606	0.8
86.03218	0.6
87.00881	11.8
87.01361	1.0
88.98831	2.1
89.02451	7.3
95.01408	2.9
96.96024	1.1
96.96996	1.0
97.03008	1.2
99.00910	3.5
101.02458	15.7
110.20683	0.6
111.00908	2.3
112.98815	1.5
113.02460	14.3
115.00391	19.8
119.03552	2.8
119.05045	1.4
120.01251	4.7
123.08175	0.9
125.02496	2.2
127.00449	1.1
127.05166	0.7
128.03580	1.5
129.01964	1.0
133.01460	4.5
135.03036	0.9
135.04535	1.9
137.09784	0.8
139.00418	2.0
143.03561	2.2
143.10847	1.3
145.01492	2.9
148.07712	0.8
151.00418	1.2
153.09268	0.9
154.98611	1.1
154.99887	22.1
156.00351	1.0
157.01448	4.4
157.12381	0.7
159.03058	1.4
161.04636	3.7
167.10767	1.5
175.02502	43.2
176.02927	2.2
179.03502	1.1
179.05748	1.1
187.13440	3.3
187.71849	0.8
201.15034	0.9
203.52077	0.6
207.10271	0.9
223.13390	8.8
267.12317	4.6
271.13815	0.7
273.11444	0.8
273.20752	0.8
280.43552	0.7
285.04245	1.9
301.24042	2.2
313.24194	1.1
315.25598	1.2
333.26523	11.4
334.27039	1.6
337.12192	0.7
359.28152	2.2
377.29330	1.9
425.14523	28.3
425.19977	1.5
426.15100	4.1
465.08685	0.9
465.16095	0.8
477.30673	72.5
478.31064	12.7
495.31808	17.2
496.32260	1.7
520.32416	1.3
521.33240	27.1
522.33582	4.9
537.32703	4.3
538.33661	1.4
539.34131	6.6
581.27911	1.6
581.35663	4.4
582.35419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01376	2.9
61.98835	2.0
63.96233	1.1
69.03448	1.0
70.96572	1.2
71.01390	6.5
73.02959	1.1
78.95915	4.0
78.98601	5.2
79.00183	0.4
79.95743	9.0
80.96526	59.4
81.03465	0.5
83.29990	0.4
83.30511	0.4
85.02958	2.0
87.00896	3.1
94.98104	13.9
95.01408	0.4
96.96023	2.7
97.02959	2.0
99.00885	0.5
100.98489	0.4
101.02451	2.3
106.98131	2.3
118.96725	0.4
122.97618	4.8
125.02444	3.2
127.04049	0.9
134.97609	4.7
136.99152	1.3
148.15332	0.3
148.99174	4.6
152.98636	6.7
152.99644	0.6
164.98650	11.0
167.00160	0.6
168.04329	0.5
182.99730	2.2
206.99706	2.8
224.06894	1.5
225.00749	17.8
226.01111	0.8
243.01761	1.6
255.23286	1.0
281.24792	3.1
283.26437	12.2
299.04367	2.6
355.24997	0.4
396.56360	0.4
480.30927	0.5
508.34073	8.7
576.55731	0.5
581.30060	100.0
582.30408	20.2
582.37927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87261	0.5
55.01878	1.4
57.01921	0.7
57.03439	1.1
59.01381	73.2
60.01717	1.5
61.01800	1.0
61.98832	24.5
69.03470	1.0
69.73230	0.5
70.98643	0.5
71.01388	18.2
71.72873	1.2
72.01703	0.8
72.99287	1.0
73.02949	8.4
74.02467	0.7
74.03274	0.8
75.00881	1.4
75.94711	0.6
77.34300	0.6
79.95724	1.9
80.96530	6.6
81.03445	0.7
82.99732	0.6
83.01396	4.5
85.02956	9.2
87.00876	1.5
88.98782	1.1
89.02458	3.6
95.01389	1.2
99.00892	2.7
101.02454	14.9
102.02795	1.1
111.00896	0.9
113.02475	7.3
115.00376	2.5
119.03484	0.8
119.05011	1.4
120.01257	1.3
125.02429	0.8
129.09213	0.7
131.03490	0.8
133.01460	1.5
133.03018	0.6
134.03714	0.8
135.02991	0.7
135.04558	1.1
143.03519	0.9
145.44489	0.6
146.03712	0.9
149.02513	3.3
149.04564	0.6
150.03230	2.8
151.03641	0.6
154.99913	0.8
159.03110	0.9
161.04567	3.9
162.03241	1.5
163.03908	1.7
164.04820	1.8
165.05565	3.8
177.05539	1.1
178.05916	0.6
179.07191	1.3
180.07449	1.1
187.93463	0.6
191.34158	0.7
195.06631	1.4
195.13991	1.4
211.17079	1.0
223.06242	0.8
236.16602	0.7
262.18079	1.4
273.16986	0.7
281.09103	0.8
299.10364	0.8
327.08679	1.0
327.12189	0.8
344.29587	0.6
346.38223	0.8
373.94467	0.6
375.20520	1.2
417.21085	2.2
425.55103	0.6
435.22284	2.9
459.22272	1.1
473.18195	4.5
475.25464	0.9
477.23392	12.5
478.23764	1.8
491.19232	1.1
495.24277	2.3
519.24664	5.8
521.33344	1.5
533.20264	1.8
537.25476	100.0
538.25818	18.8
581.24664	0.9
581.32495	5.0
582.33405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1829
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
54.25780	0.5
56.61889	0.5
59.01367	1.7
61.98824	0.9
62.96415	1.3
69.84940	0.9
69.85355	2.4
71.01392	1.7
78.95908	100.0
82.39537	0.5
83.02252	0.7
96.96001	1.5
96.96967	6.0
97.02930	0.6
98.20585	1.1
98.95607	0.9
99.92593	12.8
100.93386	1.4
115.92090	37.4
116.92123	2.4
116.92870	31.1
117.92870	1.0
120.96954	1.5
134.98491	0.7
135.11728	0.5
138.98053	0.7
142.94420	0.5
150.98039	4.8
152.99606	27.2
153.99947	0.8
155.95183	1.5
156.95950	0.6
163.89729	1.5
164.90540	3.1
171.00650	14.2
172.95500	5.6
178.88469	5.8
178.91951	0.6
179.89235	45.2
180.90059	27.6
181.90996	3.8
194.87895	2.3
194.89499	0.6
195.00648	1.1
196.89500	59.7
197.89513	3.0
204.90012	1.5
205.90776	5.8
206.91580	3.6
207.53506	0.5
208.89552	3.1
212.88982	0.8
218.91545	1.1
219.92274	1.4
221.90248	2.6
225.22214	1.0
234.91037	1.6
235.91806	11.3
236.92615	27.5
237.92789	2.7
245.04279	3.2
252.92061	3.6
253.21776	1.4
253.92899	2.3
270.93167	1.9
276.95563	2.4
278.93756	4.3
281.24878	6.6
282.25183	1.8
291.94492	0.7
292.95111	2.9
308.94669	0.9
309.95532	1.8
310.96307	8.0
326.95789	0.8
331.16760	0.7
353.14337	0.9
402.70920	0.6
407.21893	0.8
409.16949	0.6
473.14169	5.5
474.14133	1.1
481.25894	4.0
490.14352	6.6
491.14566	1.5
506.32263	3.6
507.32693	3.1
515.15277	0.9
533.16034	4.3
534.16229	1.1
545.16034	6.1
546.16028	1.3
547.14441	0.7
563.17285	7.3
564.17487	0.9
567.70874	0.6
581.18274	96.8
582.18542	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66671	0.3
51.21338	0.3
59.01380	21.3
61.98830	4.5
63.99252	0.8
69.61365	1.0
69.61797	1.4
71.01391	0.5
72.43190	0.3
73.02953	0.4
78.95910	28.0
78.98605	0.3
79.95717	0.6
80.96519	3.5
82.96098	0.3
87.00896	0.3
94.98077	0.8
96.96024	1.2
96.96968	0.8
98.20692	0.5
99.92589	1.0
100.93375	0.3
115.92094	3.5
116.92906	2.6
134.97601	0.4
148.99168	0.5
152.98535	0.5
152.99622	5.2
163.89670	0.3
164.98576	0.7
168.04344	3.2
171.00623	1.1
172.95441	0.6
178.88533	0.4
179.89247	3.6
180.89993	3.2
181.90837	0.4
196.89488	5.3
205.90675	0.5
218.91577	0.4
220.00696	0.3
221.90321	0.4
224.04811	0.5
224.06943	8.6
225.00813	0.9
225.07179	0.5
235.91864	1.3
236.92676	2.1
242.08017	2.0
243.57762	0.3
252.92017	0.5
278.93668	0.4
281.24850	100.0
282.25186	11.8
310.96289	1.0
402.79257	0.3
473.14124	0.6
490.14120	0.8
506.32492	71.2
507.32849	12.5
533.16071	0.6
545.15936	0.5
563.17285	0.7
580.20660	0.6
580.28918	6.3
580.36859	0.3
581.18378	10.6
581.28400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05457	0.1
59.01379	15.2
60.01712	0.2
60.27919	0.1
61.87040	0.1
61.98830	2.2
63.99265	0.3
68.18332	0.1
71.01395	0.2
71.73914	0.1
78.95909	8.1
78.98592	0.1
79.95752	0.2
80.96519	1.7
82.74341	0.1
82.96120	0.1
87.00848	0.1
94.98098	0.3
96.96024	0.4
96.96977	0.3
99.92598	0.3
107.70917	0.1
115.92104	1.3
116.92863	0.8
148.99203	0.2
150.98087	0.1
152.98523	0.2
152.99619	1.9
164.98680	0.2
168.04327	1.4
171.00655	0.4
172.95490	0.3
179.89252	1.1
180.89998	1.0
196.89500	1.7
205.90791	0.2
206.91493	0.2
224.06920	0.9
225.00816	0.2
226.00987	0.1
235.91873	0.3
236.92641	0.8
242.07979	2.7
243.08380	0.1
263.23672	0.1
278.93732	0.1
281.24847	100.0
282.25183	11.4
310.96326	0.2
490.14481	0.3
506.32492	37.2
507.32840	6.8
507.40591	0.1
508.72882	0.1
521.28766	0.3
533.15674	0.1
540.10596	0.1
545.16125	0.3
563.17456	0.2
580.19647	0.2
580.28760	2.8
580.35986	0.1
581.18396	3.5
581.28448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.91709	0.1
61.98831	100.0
62.98540	0.2
70.46961	0.3
73.91754	0.1
78.95926	0.3
84.56961	0.1
94.13903	0.1
152.99632	0.4
242.08063	0.1
277.21722	2.1
278.22070	0.7
279.22339	0.4
280.22812	0.2
337.94980	0.1
410.70007	0.1
431.22180	0.2
502.29440	0.9
503.29956	0.3
504.29843	0.1
505.30490	0.4
579.30933	0.3
609.16022	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98832	100.0
62.98535	0.2
78.95910	0.6
98.19909	0.2
111.52440	0.1
117.36769	0.1
152.99585	0.4
161.13646	0.1
224.07060	0.1
242.08258	0.1
277.21713	1.0
278.22083	0.6
279.22485	0.3
280.22540	0.1
502.29410	1.1
503.30026	0.2
504.30124	0.2
505.30292	0.5
579.30933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24016	0.1
51.34426	0.1
59.01379	3.2
60.01717	0.2
60.12986	0.1
61.98833	100.0
62.98544	0.2
69.89785	0.3
69.90178	0.9
71.01389	1.8
72.01723	0.2
72.99324	0.2
73.02959	0.7
83.01409	0.2
85.02966	0.6
87.00888	0.3
88.98814	0.2
89.02473	1.1
97.02960	0.2
98.19969	0.3
101.02467	1.0
110.35460	0.2
113.02490	0.5
114.99654	0.1
115.00405	0.6
116.97996	0.1
119.05086	0.4
120.01373	0.1
124.04000	0.1
128.03613	0.2
131.02664	0.2
131.03566	0.2
133.01440	0.6
135.04617	0.1
139.56139	0.1
143.38264	0.2
149.02518	0.4
149.04611	0.7
150.03305	0.8
151.03627	0.3
157.12576	0.1
163.04053	0.5
164.04874	0.3
165.05585	0.8
166.05951	0.3
179.07242	0.2
183.84221	0.1
195.06662	0.6
196.06963	0.3
228.05309	0.2
243.07855	0.4
299.10529	0.5
302.11334	0.2
312.10107	0.2
327.12491	0.4
328.12662	0.7
335.48477	0.2
343.09204	0.2
365.92264	0.1
387.08249	0.3
387.20517	0.2
388.20306	0.2
409.46240	0.2
419.11090	0.6
519.24603	0.4
520.24921	0.4
537.25629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.7
57.03450	4.3
57.08683	0.5
58.00600	1.3
59.01380	100.0
60.01741	2.4
60.02005	0.6
61.31713	0.4
61.98834	21.9
67.01882	0.5
69.03470	1.6
71.01388	42.0
71.05030	1.6
71.73279	0.7
72.01720	0.6
72.99312	2.6
73.02954	15.4
75.00877	1.2
78.95918	0.9
83.01395	15.5
83.01867	0.9
83.05061	1.3
84.01733	0.6
85.02959	16.3
85.06626	0.7
86.00097	0.6
86.03284	0.6
87.00881	7.7
87.04571	1.2
87.69441	0.5
88.98821	2.4
89.02459	11.0
94.06635	0.5
95.01399	4.0
96.01730	0.6
96.96067	0.5
96.96931	0.8
97.02971	1.7
99.00889	4.3
99.04591	0.9
101.02456	21.8
102.02802	0.9
109.02992	0.7
109.06579	0.6
111.00906	3.2
111.08205	1.1
112.98841	1.4
113.02467	21.5
113.09750	0.7
114.02823	0.9
115.00388	7.1
119.03501	4.3
119.05032	0.6
120.01291	1.3
122.06181	1.5
125.02497	1.8
127.00411	2.3
128.03581	0.9
129.01953	1.4
129.09258	1.8
131.03476	1.0
133.01469	1.8
135.03038	0.9
135.08279	0.7
137.09825	0.9
138.05640	0.6
139.00397	0.6
142.99922	1.6
143.03499	2.8
143.10843	1.1
145.01427	2.4
149.04596	1.3
149.09645	0.5
153.09216	1.3
154.99886	55.6
155.10846	0.7
156.00262	2.0
157.12415	0.9
159.02997	1.1
161.04575	6.0
163.11415	0.6
167.10828	1.0
169.12347	0.6
173.00993	3.0
174.01634	0.6
175.02507	6.8
176.02861	1.2
179.03600	0.5
179.05600	2.4
183.14000	0.5
187.13388	1.6
201.14912	1.2
217.14549	0.7
221.06773	0.6
223.13472	2.2
247.13599	0.7
267.12326	1.4
267.19653	0.7
268.12881	0.5
271.13455	0.8
273.11481	0.9
287.22333	3.9
293.21115	0.6
300.03040	0.9
301.23889	1.7
313.23923	1.4
329.23273	0.6
331.24899	7.5
332.25342	1.1
339.25348	0.7
345.26590	2.1
357.26456	4.7
358.26697	0.7
375.27612	4.1
387.05847	0.6
423.13141	3.9
430.82919	0.6
431.26688	0.8
475.29120	46.6
476.29388	8.3
493.30240	12.5
494.30634	2.0
501.30722	1.5
507.15137	0.6
517.30261	0.8
519.31738	50.0
520.32031	9.7
535.31274	2.0
537.32721	11.3
538.33270	1.8
561.33221	1.3
579.14069	0.6
579.24524	0.5
579.33978	12.1
580.24872	0.7
580.34418	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	579.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68760	0.7
54.55642	0.6
59.01377	3.6
61.98833	28.2
71.01389	7.2
71.72367	1.0
73.02933	1.0
78.95914	10.6
78.98602	5.2
79.95732	8.7
80.96524	58.7
81.03481	0.9
85.02959	3.2
87.00887	3.3
94.92709	0.7
94.98100	14.7
96.96015	17.7
97.02927	1.4
99.00853	0.9
101.02458	2.1
105.94125	0.7
106.98108	3.3
113.15771	0.8
113.92615	1.3
114.93402	1.6
122.97585	2.6
125.02466	1.2
134.97653	4.0
143.38234	0.7
148.99146	5.6
152.32481	0.7
152.98566	5.3
152.99635	2.9
164.98633	12.8
165.98836	0.9
167.00264	0.8
171.00694	0.7
188.98463	0.7
194.90004	1.1
194.93851	0.8
206.99712	3.2
224.06978	1.1
225.00757	13.4
245.04245	2.9
253.21655	0.9
255.23302	2.2
267.46692	0.8
269.24939	0.9
279.23260	2.3
281.24863	18.9
299.04263	3.6
300.20428	0.7
341.11172	0.8
343.00992	0.8
481.25613	3.7
506.32407	11.7
579.28455	100.0
580.28864	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	579.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00425	1.1
55.01872	2.1
57.03444	2.9
58.00581	2.7
59.01377	100.0
60.01710	1.7
61.98826	18.3
64.98039	0.9
69.42223	10.0
69.42623	2.7
71.01385	85.7
72.01713	1.5
72.99294	3.4
73.02950	15.6
80.00478	1.0
83.01394	5.8
85.02950	18.1
86.03241	1.1
87.00875	5.2
88.98830	2.1
89.02450	81.5
90.02782	1.7
95.01389	5.0
97.02986	1.6
98.20583	2.2
99.00878	4.3
101.02454	57.3
102.02779	1.3
113.02457	24.7
115.00401	3.0
119.03518	17.1
119.05034	1.2
125.02453	3.7
131.03522	19.7
133.01434	4.4
135.01866	1.8
143.03487	4.2
146.03786	1.3
148.46063	1.1
149.04565	49.6
150.03224	3.2
150.04964	1.4
156.10185	1.0
159.03017	2.9
161.04565	16.9
165.05577	2.8
179.05659	7.2
189.12871	17.8
190.13167	1.6
191.05617	9.0
195.06631	2.7
207.13867	4.0
233.06642	1.3
267.06522	1.2
282.08838	1.6
293.08585	2.0
297.11282	2.3
302.11264	1.2
303.11420	1.4
311.09814	1.5
327.12347	7.5
347.10385	1.4
375.14532	1.9
387.20239	62.4
388.20657	8.0
472.03857	1.2
504.92639	1.1
519.24432	87.8
520.24792	14.6
599.32758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03436	3.1
58.00591	2.5
58.64616	0.8
59.01380	65.2
61.98832	31.1
69.03452	2.5
71.01386	77.4
71.07784	2.0
71.62247	0.7
72.01717	1.7
72.99316	4.7
73.02953	24.1
75.00895	1.1
76.70459	0.7
81.03449	1.1
82.81666	0.9
83.01408	8.4
84.72843	0.8
85.02962	24.5
87.00885	4.0
88.98788	3.9
89.02454	38.7
90.02787	1.0
93.03448	2.3
95.01385	3.3
96.00908	1.6
97.02949	3.1
99.00897	6.3
101.02459	45.5
111.00867	1.4
113.02467	22.6
115.00391	9.0
116.00749	2.0
117.00771	1.2
119.03525	7.2
119.05015	1.9
120.05331	1.0
122.03771	1.7
125.02458	5.1
129.01926	1.6
131.03523	9.2
133.01462	14.8
134.01775	2.3
135.01909	1.8
136.01683	1.4
143.03548	3.8
146.03734	2.8
149.02570	4.7
149.04565	19.0
150.03250	6.1
151.04050	2.0
154.99878	1.8
159.02979	2.9
161.04599	15.0
161.05978	1.3
162.03210	0.9
163.03967	1.1
163.11343	0.8
164.04768	1.9
165.05563	8.5
175.02470	1.3
179.05667	1.3
179.07130	1.4
181.12347	2.1
191.05627	4.8
195.06631	4.9
197.09712	2.6
198.09906	1.2
207.13887	2.0
209.25868	0.8
213.12859	0.8
223.07788	1.1
225.14946	2.0
233.06650	1.2
255.10847	1.6
273.44501	0.9
278.09308	1.0
283.09778	1.5
284.10059	0.9
293.08862	4.3
294.08939	0.9
301.10803	2.7
302.11157	3.2
303.11380	2.8
311.09671	1.0
312.10016	1.9
327.12436	10.5
330.31131	0.8
339.12421	5.4
345.09531	2.0
347.10199	3.3
369.18906	1.4
375.14642	1.7
387.20251	64.6
388.20734	6.4
463.11307	1.9
501.23877	2.3
519.24463	100.0
520.24731	15.1
555.75635	0.8
579.20038	1.7
579.28882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01450	0.7
57.03466	1.1
59.01382	13.9
61.98828	6.2
68.84811	0.8
70.77421	0.8
71.01387	7.2
71.20184	1.9
73.02956	9.1
78.95914	11.2
83.01392	3.2
96.96050	0.9
101.02442	9.4
113.02447	1.6
124.08006	0.9
125.86164	0.8
152.99643	2.0
161.04547	1.8
161.09824	0.8
171.00684	2.2
201.12846	6.7
214.84196	0.8
269.19101	16.9
270.19427	1.3
287.20087	5.1
313.18100	53.6
314.18488	6.7
331.19150	100.0
332.19449	12.8
345.20697	4.0
373.20197	14.8
374.20306	1.7
475.23270	3.0
535.25452	25.8
536.25732	4.9
579.31354	5.9
580.30426	1.2
583.42633	1.0
598.47815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03452	1.3
58.00594	2.6
59.01379	83.2
60.01701	1.5
61.98843	3.2
69.03458	0.8
69.65603	3.7
71.01385	78.1
72.01725	2.2
72.99311	4.0
73.02954	11.0
78.95903	1.1
83.01402	3.7
85.02959	12.6
87.00894	3.2
88.98818	2.4
89.02453	100.0
90.02799	1.5
90.70817	0.5
93.03471	1.5
93.04975	0.6
95.01372	0.9
96.96011	1.4
96.96986	1.2
97.02953	0.9
98.19921	1.3
99.00872	1.6
99.04499	0.6
101.02454	51.2
101.15749	0.6
102.02793	0.8
107.90462	0.6
109.02973	0.9
111.00913	1.4
113.02463	13.3
115.00391	12.7
115.01086	0.4
116.00726	2.1
117.00839	1.3
119.03522	7.0
119.05006	1.5
121.03001	0.7
122.39517	0.5
125.02470	2.0
128.03522	0.7
131.03525	33.3
132.03799	0.9
133.01451	19.6
134.01770	4.1
134.03674	0.5
135.01892	4.0
135.04524	2.4
143.03496	2.6
143.04555	0.7
146.03709	0.6
149.02539	2.5
149.04572	88.8
150.03258	4.4
150.04887	2.8
151.04051	1.2
154.99928	0.6
161.04585	7.9
162.03256	0.7
163.04010	1.0
164.04784	0.8
165.05617	3.8
175.02480	1.8
177.05530	1.2
179.03505	1.4
179.05621	1.1
179.07039	0.7
191.05624	13.8
192.05919	0.6
195.06580	2.1
195.08159	1.0
197.09735	2.7
198.10033	1.6
199.10306	0.9
205.03595	0.9
209.03009	0.6
212.11723	0.5
221.06642	1.0
223.04457	1.3
223.07780	0.6
239.07747	0.5
239.10667	1.3
241.08757	0.9
251.07645	2.4
257.11841	1.2
258.12140	0.6
267.06631	0.6
281.08780	1.6
282.08963	0.9
283.09656	1.3
284.09857	0.6
285.10532	0.8
293.08762	4.5
297.11295	1.5
301.10764	3.8
302.11279	2.9
303.11414	3.3
306.07483	0.6
311.09842	13.7
312.10114	3.1
327.12283	4.8
328.12692	0.7
331.12781	0.8
345.09888	3.4
345.13425	1.2
346.10178	3.8
347.10431	5.0
375.14532	1.0
387.20334	0.7
409.55280	0.6
417.13788	0.7
462.10849	0.8
463.11243	1.3
471.16626	1.4
501.23395	0.6
519.24487	8.9
520.24677	1.3
579.19550	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	579.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.18774	0.8
57.03445	3.8
58.00592	2.7
59.01382	100.0
60.01714	1.2
61.98835	68.7
69.39445	8.9
71.01390	53.3
71.05033	1.4
72.01733	1.9
72.99300	3.7
73.02952	9.0
75.00872	1.5
78.95928	1.8
83.01376	6.1
85.02451	1.0
85.02959	14.9
87.00879	6.0
87.04509	1.4
88.98818	1.1
89.02456	47.3
90.02795	1.1
95.01409	3.2
97.02956	1.7
97.06590	1.1
99.00906	2.5
99.04567	1.0
101.02464	29.8
110.46255	0.8
111.00910	0.9
113.02473	25.5
115.00375	5.6
116.92908	1.8
119.03524	19.7
119.04965	0.9
125.02518	2.0
127.07711	0.8
129.09235	0.7
131.03535	2.3
133.01476	3.9
135.04536	1.1
137.09781	0.7
141.61342	0.7
143.03529	6.9
145.02951	1.1
146.24490	0.7
149.04587	2.3
154.99869	3.7
155.10872	1.2
157.12363	1.8
161.04601	7.9
163.04025	1.0
169.12355	1.4
173.11850	1.8
175.02423	2.1
179.05643	15.8
179.80637	0.7
180.05769	0.8
187.13423	2.1
203.19576	0.7
221.06308	1.8
222.06625	0.9
235.07626	2.4
253.08629	2.3
263.07166	5.7
264.07675	1.3
281.08194	11.2
291.06647	2.7
292.07327	1.6
293.08249	4.3
294.08960	1.7
296.10580	1.9
300.02927	1.3
301.10873	0.9
308.10553	3.4
309.07697	47.0
310.08041	3.3
323.09225	7.2
324.10025	24.8
325.10410	3.6
335.17258	1.9
339.12390	46.8
340.12665	6.4
345.26108	1.0
357.13391	1.3
357.26471	2.0
375.27551	5.5
377.18097	2.2
389.25470	1.3
405.18015	1.1
501.30569	1.9
519.31708	59.5
520.32129	6.2
535.20050	5.6
537.32690	16.6
538.33154	1.4
579.23199	1.3
579.34528	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	578.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49039	0.3
59.01379	22.7
70.04436	1.3
71.01389	0.7
74.08059	0.3
78.95909	18.8
78.98596	0.6
79.95750	0.5
80.96519	5.2
82.96074	0.5
83.36089	0.3
94.98070	1.3
125.02432	0.3
134.97595	0.5
135.57204	0.3
138.45068	0.3
148.99135	0.5
152.98640	0.3
152.99628	3.2
164.98613	0.9
168.04326	3.0
177.13423	0.3
224.06927	9.3
225.00714	1.2
225.07207	0.3
226.01015	0.5
242.07964	2.4
261.22266	0.8
279.23279	100.0
280.23627	12.6
304.32028	0.3
389.60910	0.3
405.89038	0.4
504.30930	74.9
505.31281	12.6
528.09589	0.3
578.27271	9.7
579.27216	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	579.1363
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
57.03438	0.3
59.01378	7.2
61.98827	4.4
65.00326	0.4
67.62772	0.2
69.95621	1.9
71.01387	3.3
72.99322	0.4
73.02961	2.1
83.01384	1.0
85.02948	0.6
89.02449	1.3
93.03493	0.3
101.02471	2.7
107.01388	1.0
108.02193	1.1
109.02932	0.3
113.02451	1.2
115.00382	1.8
116.00697	0.4
117.09464	0.3
119.03537	0.4
121.02969	0.4
131.03500	0.4
133.01450	3.6
134.01830	0.4
135.00890	0.6
135.01868	0.7
146.03833	0.4
148.01733	1.3
149.04559	0.3
151.00365	3.0
153.01881	0.3
161.04593	0.6
162.03242	0.4
163.00359	0.6
164.01186	0.5
164.04778	0.6
178.99898	2.2
192.00613	0.3
193.53168	0.4
197.09686	0.4
199.04027	0.6
203.03561	0.3
205.60704	0.3
211.03705	0.4
215.03561	0.4
226.02696	1.5
227.03606	1.7
243.02977	10.2
244.03404	1.0
249.55482	0.3
254.02211	1.8
255.02966	24.0
256.03284	2.0
271.02457	51.2
272.02911	6.0
285.04059	0.4
287.20023	0.3
299.02094	1.9
300.02750	100.0
301.03201	12.3
301.10791	0.7
302.11240	0.5
303.11310	0.8
327.12686	0.6
345.09720	0.7
346.10068	0.4
347.10403	1.1
387.20135	0.4
408.43787	0.3
519.24194	0.9
579.13580	70.7
580.13904	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	579.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03451	1.0
58.00592	1.3
59.01381	100.0
60.01717	1.4
60.51830	0.4
61.98831	16.3
65.69139	0.3
69.03456	1.4
71.01386	41.8
71.72773	0.5
72.01719	1.3
72.99322	2.0
73.02951	52.2
74.02467	0.5
74.03297	1.1
75.00881	1.5
81.03479	0.8
82.25597	0.4
83.01395	15.8
83.57475	0.4
84.01729	0.4
85.02959	7.1
87.00871	2.4
88.98819	0.4
89.02451	10.3
93.03461	1.5
95.01381	1.9
96.00889	0.4
97.02962	0.9
99.00883	1.3
99.04506	0.4
101.02456	48.8
102.02784	0.7
108.02184	1.8
110.47073	0.4
111.00888	0.7
113.02463	19.2
115.00382	4.4
116.00671	0.5
117.00759	0.6
117.03466	1.2
119.03519	4.7
119.05000	1.6
121.02911	1.3
122.03767	1.9
123.04494	1.4
125.02480	2.4
126.90440	1.5
129.01956	0.8
131.03525	5.3
133.00594	0.4
133.01456	5.8
133.02934	0.7
134.01735	1.0
134.03748	0.7
135.01869	0.9
135.02951	0.8
135.04510	1.8
136.01703	0.4
137.02382	0.7
143.03496	4.1
145.02962	4.3
146.03764	21.4
147.04514	2.1
148.59190	0.4
149.02483	4.4
149.04576	6.3
150.03249	13.1
151.03728	0.7
155.03470	1.1
161.02521	4.8
161.04504	11.5
161.06021	5.0
162.03262	14.7
162.04599	0.6
162.06296	0.6
163.03703	1.5
164.04817	13.9
165.05589	12.7
166.05840	0.7
166.12183	0.4
175.02367	1.2
175.03886	0.5
177.04056	0.6
177.05591	10.5
179.03549	0.9
179.07144	20.7
180.04163	1.7
180.07509	0.7
189.58960	0.4
191.05405	0.4
193.04932	0.7
195.06625	9.4
196.06850	0.6
197.09590	1.2
198.09973	0.6
203.05502	1.2
209.02983	0.6
213.12810	0.5
219.06580	1.0
221.06462	1.5
223.04483	0.5
227.03571	2.0
239.10757	0.5
255.02966	4.1
256.03220	0.5
273.44055	0.4
283.09695	1.0
284.03253	4.7
285.03906	2.2
285.06458	0.5
301.10532	1.1
302.10837	1.1
303.11221	1.1
309.07428	1.0
312.09821	1.1
324.09897	0.5
327.12402	7.9
328.12384	1.1
339.12363	3.2
345.09525	0.9
346.09729	0.8
347.10056	1.6
357.11499	1.7
375.14227	0.7
387.19940	0.6
463.11179	0.9
471.16528	2.0
489.17062	0.6
519.23572	1.6
531.18152	0.6
535.22540	0.6
537.18878	0.5
579.12537	3.8
579.20465	1.3
579.28217	0.7
580.12988	0.5
589.19171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00272	0.2
59.01375	0.4
59.67274	0.1
61.98832	100.0
62.98540	0.3
66.38412	0.2
67.72327	0.1
71.01400	0.8
71.74054	0.2
73.02933	0.2
78.95920	2.7
78.98618	0.6
79.95758	1.1
80.96526	7.4
85.02984	0.4
87.00890	0.5
94.98095	1.8
94.98568	0.2
96.96020	2.6
96.97005	0.2
99.00867	0.2
101.02470	0.4
106.98122	0.3
114.91913	0.1
114.96812	0.2
115.92104	0.4
121.26524	0.1
122.97624	0.3
125.02441	0.4
129.72343	0.2
134.97632	0.6
148.99155	0.8
152.98653	0.5
152.99654	0.6
164.98676	1.5
177.89771	0.2
179.89290	0.3
196.89549	0.6
206.99736	0.4
225.00757	1.7
245.04385	0.3
255.10182	0.2
255.23277	0.2
279.23431	0.7
280.23746	0.6
281.24472	0.8
282.24326	0.3
289.83173	0.2
299.04648	0.5
481.25732	0.5
578.21802	1.0
579.19659	0.6
579.28479	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	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61562	0.2
59.01380	15.3
63.96268	0.3
71.00529	0.5
71.01389	1.1
72.01697	0.2
78.95908	5.5
78.98616	0.7
79.95742	1.3
80.96519	9.1
81.96465	0.5
82.96125	0.8
83.85544	0.2
85.02968	0.4
87.00891	0.2
94.98102	1.8
96.08007	0.2
97.02968	0.3
106.98113	0.4
113.69111	0.2
122.97582	0.6
125.02448	0.6
134.97589	0.7
137.36209	0.2
148.00697	0.2
148.99147	0.9
152.98560	0.4
152.99612	0.9
160.54707	0.2
164.98666	1.3
164.99814	0.2
167.00104	0.3
168.03088	0.2
168.04218	1.2
205.29062	0.2
224.06944	1.2
224.83786	0.3
225.00780	2.0
226.01074	0.6
242.07988	3.0
261.22131	0.3
279.23282	100.0
280.23636	11.6
281.28290	0.2
300.04916	0.3
438.38220	0.2
504.30930	38.7
505.24060	0.4
505.31265	6.2
578.27209	15.7
579.27130	3.8
589.39307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07884	0.6
59.01382	10.1
61.98829	1.0
68.41428	0.6
69.56232	1.5
69.56634	4.5
71.01388	2.7
72.90061	0.6
85.02932	0.7
89.02455	1.8
98.20664	1.1
101.02456	2.0
108.94617	0.6
113.02492	0.8
115.00336	0.7
118.89013	0.7
123.78997	0.6
133.01508	0.7
144.06227	0.6
161.04561	0.8
184.94133	0.6
235.08232	2.4
253.09293	11.6
281.24857	100.0
282.22250	0.8
282.25244	11.3
455.44855	0.6
532.64874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	13.4
65.07072	0.3
69.68359	2.1
69.68768	0.9
70.46431	0.4
71.01386	10.0
71.01763	0.8
72.05093	0.4
72.99317	1.5
78.95910	0.5
80.82263	0.4
87.00894	0.7
89.02460	1.3
96.96037	1.1
102.68219	0.4
107.05054	0.7
112.27728	0.4
115.00391	29.7
116.00741	0.6
133.01453	100.0
134.01767	2.3
134.03760	1.7
135.04546	25.2
136.04869	1.4
136.94019	0.7
148.20825	0.4
150.04257	0.6
173.44336	0.3
178.96085	0.4
179.03517	27.5
180.03911	2.2
192.97629	0.5
236.96542	1.7
237.08835	2.1
295.04578	5.6
296.04950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03438	1.7
58.00597	0.9
59.01379	41.2
60.01707	0.9
60.56702	0.5
61.98834	5.2
64.65313	0.5
69.03448	0.6
71.01386	15.0
71.07257	0.9
71.07599	0.7
72.99306	1.3
73.02943	5.6
74.02470	0.9
75.00890	0.9
83.01388	2.0
83.05038	0.6
85.02964	5.2
87.00882	4.1
89.02458	3.5
93.03455	0.5
95.01364	0.8
96.96032	0.6
97.06579	0.8
98.20477	0.5
99.00903	1.5
101.02457	8.4
111.08293	0.6
113.02463	4.6
115.00368	3.2
119.03507	1.1
120.01282	0.5
123.08198	1.0
125.02470	1.1
125.09759	2.2
127.11317	1.1
133.01436	5.5
143.03534	0.7
149.04599	0.5
157.12369	0.8
161.04532	1.3
169.12427	0.5
171.10272	5.1
172.10712	0.6
185.11790	0.6
188.55943	0.4
197.09735	1.5
233.40707	0.5
267.19580	0.6
276.13098	0.4
276.16092	1.3
283.09784	1.1
291.25659	0.5
301.10831	2.1
309.45712	0.5
311.22324	3.2
329.23343	12.9
330.23676	1.3
341.23343	0.6
343.25085	0.5
345.09769	1.7
371.24313	0.7
391.39526	0.5
417.28693	0.7
473.27164	5.7
474.27661	1.1
491.28543	23.1
492.28925	4.1
517.29883	2.5
526.57996	0.5
533.29620	100.0
534.29932	15.6
535.31281	0.7
559.32800	0.5
577.32178	12.7
578.32477	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	577.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03445	2.9
58.00599	1.3
59.01379	100.0
60.01722	1.1
61.98832	3.9
68.99862	0.3
69.03461	0.7
71.01385	37.1
71.05024	0.8
72.01742	0.6
72.99311	2.0
73.02951	19.1
74.03304	0.5
75.00874	0.5
78.79856	0.2
78.95895	0.4
81.03467	0.3
83.01390	8.5
83.05029	0.6
85.02959	10.9
85.06612	0.6
86.00096	0.3
86.03294	0.4
87.00888	2.7
87.04521	0.5
89.02454	15.1
90.02796	0.5
93.03476	0.3
95.01403	3.4
96.96021	0.4
97.02972	1.1
97.06602	0.6
99.00886	2.1
99.04530	0.6
99.08154	0.3
99.63625	0.3
101.02457	31.2
101.06106	0.8
102.02789	1.1
106.47130	0.2
111.00909	0.4
111.08192	0.7
112.01727	0.3
113.02464	22.2
114.02821	0.7
115.00378	2.4
119.03518	8.5
119.04929	0.4
123.08192	0.7
125.02502	1.4
125.09745	0.4
127.07700	0.3
127.11310	0.6
128.03592	0.3
129.02000	0.3
131.03517	2.4
133.01453	3.2
137.09747	1.0
141.09206	0.2
143.03532	4.4
149.04585	3.5
151.11328	0.6
153.09241	0.3
153.12926	0.4
154.99901	0.3
155.03423	0.4
155.10835	1.3
159.02968	0.6
161.04575	9.8
162.04929	0.6
165.12845	0.3
169.12340	0.6
171.10304	0.7
171.13940	0.6
179.05635	4.6
183.13933	0.4
185.11874	0.4
195.13942	0.4
197.09781	0.8
201.14938	1.3
203.05646	0.9
213.14880	0.3
221.06644	2.4
223.13371	0.3
229.81041	0.3
239.10947	0.3
251.43811	0.2
257.17581	1.4
259.19110	4.5
260.19583	0.4
267.19708	0.8
271.19119	0.9
277.21597	1.5
283.09863	0.8
285.20670	1.8
295.22919	0.9
301.10834	1.3
311.22391	0.5
313.24020	0.4
329.23410	2.7
330.23541	0.3
334.46741	0.2
337.23807	0.8
344.18387	0.3
345.09607	1.3
355.24918	5.4
356.25314	0.8
373.25873	1.9
374.26120	0.3
403.23407	3.9
404.23846	0.4
415.23361	0.6
417.28601	0.5
421.24710	1.1
439.26999	1.6
440.27957	0.3
441.24854	0.6
445.24930	0.3
457.28210	2.2
458.28268	0.5
459.26297	0.3
461.10672	0.4
463.25848	0.5
473.27722	0.4
475.29666	1.4
491.28345	0.4
499.29053	0.7
515.28613	0.4
517.30127	11.2
518.30536	2.4
533.29486	2.9
534.29669	0.3
535.31195	5.2
536.31482	1.0
541.29492	0.3
559.31757	0.6
577.32318	68.1
578.32654	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	577.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05176	0.5
55.01880	0.8
56.34338	0.6
57.03458	1.8
57.61478	0.5
58.00590	0.6
59.01381	100.0
60.01722	1.6
61.98830	5.4
69.03460	1.1
70.29795	2.4
71.01387	25.4
72.01752	0.7
72.99323	1.9
73.02953	16.2
75.00892	0.6
83.01411	4.8
85.02962	5.8
87.00863	2.8
89.02454	8.2
93.03455	1.2
95.01417	1.2
96.68775	0.4
96.96037	1.1
97.02956	0.7
98.20600	0.7
99.00911	1.6
101.02460	15.3
105.27026	0.5
111.00887	0.7
113.02483	6.2
115.00378	4.3
119.03516	3.0
123.08135	0.5
125.02444	1.2
125.09728	0.5
127.11298	0.8
128.71205	0.5
129.09221	0.5
131.03534	0.9
133.01442	6.9
135.04579	0.9
143.03508	1.2
149.04637	0.6
154.64355	0.6
154.99860	0.7
155.10727	0.6
161.04573	1.9
164.07259	0.5
171.10277	1.7
179.05627	0.5
185.11879	0.8
195.08247	1.0
197.09761	0.7
198.09967	0.5
217.14426	0.9
229.14372	0.6
257.12909	1.1
267.19730	0.9
283.09686	1.5
285.20639	3.7
293.21332	1.0
301.10773	2.3
311.22296	1.9
329.23312	1.8
345.09766	2.1
355.24924	1.7
373.26083	4.8
374.26068	0.6
380.31143	0.6
409.42062	0.5
433.55807	0.6
438.17722	0.5
457.27966	0.8
461.10928	0.6
472.95020	0.5
473.27545	1.8
491.21988	0.8
491.28424	3.8
492.29248	0.6
497.34726	0.6
515.28528	2.0
517.30151	6.0
518.30560	0.7
533.29620	87.4
534.29901	13.5
535.31189	5.7
536.31244	1.1
549.21637	0.9
577.21881	2.1
577.32318	46.2
578.23883	0.8
578.32642	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32059	0.4
59.01379	12.9
61.98837	1.0
63.96245	1.2
64.97047	0.4
68.72794	0.4
69.03466	0.8
69.40318	3.9
71.01389	7.6
73.02947	1.6
78.95911	12.2
78.98590	5.8
79.95744	10.9
80.96523	67.7
81.03461	0.8
83.01402	0.6
85.02953	3.4
87.00874	3.2
90.90829	0.4
94.98096	15.7
95.01416	0.4
96.96021	1.5
97.02965	1.6
98.19923	0.9
101.02486	1.9
106.43529	0.4
106.98090	3.4
114.55096	0.4
122.96951	0.3
122.97626	3.2
125.02488	3.2
127.03986	0.9
134.97623	4.9
136.99162	1.8
148.99167	7.0
152.98634	6.4
152.99658	1.2
164.98643	13.9
165.98863	0.4
167.00194	0.5
168.04289	1.7
185.19429	0.4
206.99725	3.2
224.06920	5.2
225.00745	15.5
226.01067	0.7
242.07951	0.8
277.21719	1.6
279.23282	62.4
299.04443	3.4
504.23007	0.8
504.30942	48.5
577.26917	100.0
578.27222	20.8
581.11395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97926	0.3
57.03424	0.4
59.01380	17.6
63.96242	1.2
69.03458	0.5
70.87699	0.9
71.01386	7.5
73.02943	1.7
75.32639	0.2
78.95914	6.4
78.98592	5.9
79.95741	10.9
80.96524	68.5
81.03461	1.1
83.01391	0.6
85.02966	2.9
87.00893	3.0
93.75675	0.3
94.98100	17.3
95.01411	0.4
96.96033	1.3
97.02943	1.9
99.00893	0.6
99.04546	0.5
101.02462	3.3
106.98100	3.3
113.02490	0.3
114.54624	0.3
122.97593	4.9
125.02453	3.2
127.04025	0.9
134.97601	4.9
136.99162	1.6
148.99178	5.9
152.98613	6.7
152.99615	0.8
161.04480	0.3
164.98645	11.5
165.98999	0.3
168.04330	1.7
182.99701	2.0
188.98654	0.5
206.99661	3.5
224.06950	1.1
225.00751	17.9
225.31900	0.3
226.01038	0.6
242.08055	2.7
243.01796	1.6
261.22180	0.3
277.21719	2.9
279.23288	100.0
299.04407	3.5
300.04999	0.4
317.05457	0.3
387.81339	0.3
496.93286	0.4
504.30933	38.4
512.42395	0.3
577.26917	96.4
578.27264	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	577.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03459	2.4
58.00573	0.6
59.01380	100.0
60.01719	1.7
61.98832	6.7
69.03487	0.8
69.74998	4.2
71.01387	24.0
72.01752	0.5
72.99303	1.1
73.02954	15.0
74.92933	0.4
82.95416	0.5
83.01397	5.1
85.02968	6.7
85.06596	0.5
87.00879	2.9
87.04551	0.9
89.02454	7.9
93.03472	1.1
95.01403	1.2
95.25770	0.5
97.02966	0.5
99.00880	1.3
101.01791	0.9
101.02454	15.6
113.02460	9.6
115.00394	4.4
119.03507	2.4
123.08183	0.7
125.02441	0.7
125.09812	0.5
131.03490	1.3
132.77481	0.5
133.01431	4.4
137.09726	1.0
143.03513	1.0
145.45453	0.5
149.04564	0.7
151.00418	0.9
152.86247	0.5
155.10820	1.0
155.24742	0.5
161.04588	2.2
171.10316	1.7
179.05676	1.1
185.11848	0.5
197.09688	1.0
203.12947	0.6
239.10765	0.9
251.27405	0.6
257.11835	0.5
293.21167	0.7
301.10828	2.1
311.22443	0.9
345.09808	1.8
355.24948	5.8
356.25546	0.9
367.04776	0.8
373.25961	16.7
374.26263	1.7
385.14987	0.8
393.10202	0.6
415.26981	0.9
457.28015	1.2
461.09036	2.0
473.27402	2.4
474.30783	1.0
491.28638	2.6
492.29248	0.6
499.29269	0.9
515.28571	2.2
517.30072	8.5
518.30676	1.3
533.29620	75.8
534.30005	13.0
535.31018	4.9
536.31525	0.7
559.31488	0.9
577.32385	34.2
578.32764	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	577.17
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27032	1.0
59.01379	95.9
61.98840	5.7
71.01385	100.0
71.05019	2.1
72.01682	1.1
73.02948	4.2
73.24072	1.1
83.01390	3.6
84.50251	0.9
85.02951	4.5
87.04523	2.3
88.98849	1.1
89.02444	3.3
89.06089	5.9
93.03464	1.6
94.72204	1.0
95.01382	1.5
97.02959	1.0
98.20725	2.2
99.00867	1.2
101.02444	4.6
113.02449	5.5
115.00410	5.7
121.02953	12.2
125.02397	1.3
127.11516	0.9
133.01445	9.7
134.03716	1.3
143.03516	1.6
152.36026	0.9
165.01927	2.7
197.09720	2.3
219.06618	1.1
221.08110	1.8
227.83740	1.0
230.30524	1.7
233.10312	4.9
237.07697	2.8
257.11807	1.2
283.09723	1.1
291.08694	10.2
292.09207	1.7
301.10797	5.3
345.09763	4.4
381.11893	37.6
382.12186	4.4
423.12915	13.2
424.13129	1.3
571.29901	1.2
576.34741	2.2
577.36670	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	577.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41002	0.5
59.01084	1.0
59.01381	19.0
61.98833	0.8
66.44321	0.4
69.54819	2.1
69.55243	2.5
71.01387	23.2
72.99319	2.7
87.00866	0.7
89.02445	2.6
93.03475	12.6
93.22938	0.5
111.00872	2.8
115.00388	55.2
116.00715	1.1
119.05032	2.9
133.01450	100.0
134.01825	2.8
149.06096	1.5
169.06622	1.1
182.07396	2.1
183.08115	0.8
195.08163	5.7
196.08850	1.2
197.09732	24.5
198.10095	2.1
211.07643	1.2
211.11302	2.3
212.11722	0.6
213.12865	4.1
223.07726	1.2
225.09056	0.8
227.10742	1.4
230.88846	0.5
239.10786	7.6
240.11147	0.7
241.08746	1.1
245.11818	1.0
257.11823	3.5
283.09760	13.7
284.10086	1.5
301.10812	42.6
302.11136	3.8
327.08795	1.4
345.09799	33.1
346.10117	4.7
443.09964	2.9
461.10974	8.5
462.11133	1.3
523.92950	0.6
577.12335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.157
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01876	1.3
57.03454	0.8
59.01382	12.7
61.98833	2.7
66.85443	0.3
69.45367	1.6
69.45792	1.2
71.01387	5.3
72.99315	0.5
73.02949	2.3
75.00892	0.5
78.95904	0.3
83.01392	2.4
84.42461	0.3
85.02976	2.4
87.00906	0.9
88.98832	0.9
89.02458	2.0
93.03502	0.6
96.96028	0.5
99.00906	0.5
101.02467	2.7
107.01419	0.9
111.00887	0.3
113.02476	1.9
115.00391	3.0
116.92910	0.3
119.03542	0.7
119.05038	0.4
120.78900	0.3
121.71725	0.3
127.00426	0.3
132.02205	0.8
133.01463	4.3
134.01884	0.3
135.00914	1.0
135.03064	2.2
137.09642	0.3
143.03581	0.4
149.04637	0.4
151.00412	1.8
154.99896	8.4
159.04544	0.3
161.04692	0.6
163.00407	0.6
164.01213	0.6
171.04544	0.4
175.02478	0.3
178.99904	1.3
179.05688	0.4
183.04568	0.9
187.04031	0.5
197.09784	1.0
211.04021	1.3
213.09738	0.3
223.13402	1.1
227.03517	43.5
228.03870	3.5
229.05084	0.8
239.03511	0.8
239.11064	0.4
255.02989	70.6
256.03488	9.7
257.04276	1.5
257.11768	0.3
267.12338	1.1
283.02481	0.7
284.03268	100.0
285.03796	14.3
286.04391	0.5
301.10767	2.3
345.09790	1.9
385.15033	3.5
386.15411	0.6
413.08722	1.3
461.11264	0.3
514.32257	0.8
517.30206	5.9
535.31250	1.5
577.15680	65.0
578.16040	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	577.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.6
71.01386	27.8
72.99297	3.7
73.02955	0.7
85.02947	0.7
87.00893	1.2
87.09763	0.6
88.99583	0.5
89.02447	5.7
90.47919	0.6
93.03471	6.3
101.02448	2.5
111.00875	0.9
113.02486	1.1
115.00387	56.0
116.00714	1.4
119.03556	0.8
119.05022	9.1
120.05404	0.7
131.03528	0.8
133.01450	100.0
133.06631	0.8
134.01790	4.3
135.01904	1.3
135.04559	1.7
136.04865	1.0
145.06534	0.8
149.04581	3.7
149.06052	1.6
154.99963	0.6
163.04079	3.1
169.06587	1.7
170.39084	0.6
179.03506	1.3
180.03824	0.8
182.07367	2.7
183.08125	0.8
185.09708	1.0
195.08162	3.8
196.08873	0.7
197.09738	22.0
198.10138	2.4
198.82841	0.6
209.09769	0.6
211.07698	1.5
211.11307	2.4
213.12862	4.9
223.07639	4.3
224.08264	0.7
227.10844	1.2
237.09283	1.3
239.10732	6.8
240.11107	0.7
241.08690	8.3
245.11801	1.0
255.10304	0.7
256.10828	1.2
257.11835	13.2
258.12073	1.2
283.09750	11.3
284.10190	1.5
301.10825	38.8
302.11151	4.6
327.08740	2.3
328.09262	0.7
343.08237	0.9
344.08762	0.7
345.09799	50.8
346.10110	5.5
443.09784	1.7
461.10883	9.6
462.11298	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	577.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40930	0.3
59.01379	22.9
60.01704	0.4
64.18122	0.3
69.45350	2.8
69.45757	0.6
71.01385	22.6
72.01727	0.7
72.81724	0.3
72.99307	3.5
87.00851	0.5
89.02460	3.2
93.03468	12.8
94.03828	0.4
98.20614	0.6
107.05045	0.5
111.00907	2.4
115.00388	54.9
116.00700	1.7
119.05044	2.6
126.94939	0.3
133.01448	100.0
134.01768	2.9
145.06599	1.0
147.04620	0.3
149.06093	1.6
156.20038	0.3
159.08127	0.3
169.06615	1.2
171.08247	0.7
182.07381	2.4
183.08037	0.6
185.06021	0.6
187.52945	0.3
195.08156	7.7
196.08864	1.2
197.09721	26.9
198.10063	3.2
211.07770	1.6
211.11281	3.0
212.11790	0.4
213.12837	5.0
214.13248	0.4
215.07176	0.3
223.07671	1.0
227.10837	1.6
237.09341	0.5
239.10780	8.3
240.11086	0.7
241.08762	0.8
245.11790	0.8
257.11795	3.5
258.12021	0.4
283.06561	0.5
283.09741	13.6
284.10065	1.6
301.10803	39.8
302.11206	3.9
327.08884	1.4
345.09799	33.4
346.10117	4.7
380.76822	0.3
443.09747	2.3
444.10107	0.5
461.10889	8.9
462.10956	1.7
577.12311	0.6
581.75208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39312	0.5
59.01381	25.8
61.98816	1.0
66.73359	0.5
68.38599	0.5
69.81854	3.4
69.82253	1.2
71.01386	25.1
72.01741	0.5
72.99313	3.7
73.02960	0.8
85.02962	0.9
87.00879	0.9
89.02454	6.0
93.03471	7.6
101.02464	2.6
111.00920	1.0
113.02460	0.9
114.19834	0.4
115.00388	58.0
116.00771	1.7
119.05055	2.0
131.03529	1.0
133.01451	100.0
133.06676	0.9
134.01805	3.0
149.04539	2.7
149.06102	1.4
159.78758	0.5
169.06625	1.2
172.75233	0.5
182.07393	2.3
183.08160	0.9
185.06155	0.7
191.05728	0.8
195.08185	5.6
197.09729	24.1
198.10133	2.7
211.07635	1.0
211.11285	2.9
213.12852	5.5
223.07655	6.2
227.10756	1.4
239.10797	6.2
240.11208	0.9
241.08701	6.6
257.11816	11.7
258.12189	1.1
283.09760	13.3
284.10248	0.8
301.10812	43.3
302.11166	5.1
327.08649	2.7
345.09808	47.9
346.10049	4.9
443.09723	2.1
461.10828	9.6
462.11353	1.8
493.38446	0.7
517.22705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.9
60.01714	0.3
64.25571	0.2
70.92537	0.8
71.01394	0.3
78.95909	28.6
79.02457	0.2
96.96961	0.4
122.98519	0.6
152.99614	4.0
168.04317	4.3
182.13165	0.3
224.06934	12.2
225.07338	0.5
233.22729	0.5
242.07961	3.4
259.20670	0.4
275.20163	0.8
277.21713	100.0
278.22058	11.8
502.29373	87.4
503.29749	17.1
503.35468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68279	0.1
59.01380	20.1
60.01714	0.3
61.98820	0.3
70.09944	0.6
71.01380	0.2
78.95908	7.0
83.05048	0.2
83.34177	0.1
96.89708	0.1
96.96970	0.2
98.04258	0.1
105.02187	0.1
139.76146	0.1
152.99602	1.6
168.04320	2.0
171.00710	0.2
197.11823	0.1
224.06964	1.1
232.25775	0.1
233.22766	0.4
242.07993	3.2
259.20676	0.4
275.20123	0.4
277.21713	100.0
278.22064	11.6
319.66641	0.1
329.24411	0.1
475.26868	0.2
501.05432	0.2
502.29361	39.9
503.29697	7.4
576.18726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02111	0.1
59.01378	0.2
61.98831	100.0
62.98536	0.2
70.34818	0.4
78.95931	0.1
80.96512	0.2
91.02920	0.1
101.32719	0.1
133.94118	0.1
141.27655	0.1
214.05032	0.1
232.88084	0.1
277.21854	0.4
278.22095	0.8
279.22473	0.4
280.22742	0.2
322.62653	0.1
367.54120	0.1
460.32278	0.1
576.20740	0.1
577.27228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99895	0.2
58.07220	0.2
59.01384	12.3
60.01697	0.2
61.98830	0.5
71.01392	3.0
71.01993	0.2
71.07172	0.3
71.07528	0.4
73.02953	0.7
78.95899	0.5
79.08652	0.2
83.01417	0.3
85.02962	0.9
87.00866	0.4
89.02452	2.2
96.96004	0.3
101.02465	3.3
113.02454	1.4
119.03562	0.9
120.14740	0.2
125.02483	0.3
133.05119	0.3
161.04541	1.2
179.05626	0.3
235.08223	1.4
253.09302	14.0
254.09642	0.9
279.23294	100.0
280.23651	11.3
325.58359	0.2
326.40182	0.2
515.32220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98831	100.0
70.40325	0.6
71.01391	0.9
73.02963	0.2
78.98605	0.4
79.95744	0.8
80.96522	5.0
80.97005	0.3
87.70986	0.2
94.98102	0.8
101.02460	0.3
114.80513	0.2
122.97595	0.2
133.01419	0.1
134.97600	0.4
148.99101	0.3
152.98650	0.5
164.98666	0.9
172.50508	0.2
178.30853	0.2
202.09277	0.2
206.99530	0.1
222.29675	0.2
225.00790	1.1
277.21600	0.8
278.22101	0.8
279.22476	0.5
280.22781	0.2
433.76099	0.2
577.26953	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
61.34447	0.2
61.98824	0.9
69.04662	0.2
69.41944	2.4
70.81615	0.2
71.01389	2.8
73.02948	0.8
78.95918	0.3
80.05196	0.2
83.01373	0.4
85.02958	0.6
87.00937	0.3
89.02439	1.9
101.02470	3.2
113.02474	1.1
117.07017	0.2
119.03509	0.9
125.02482	0.2
133.05099	0.3
143.03516	0.4
161.04599	1.1
179.05640	0.2
235.08247	1.6
253.09291	14.6
254.09586	0.6
261.22150	0.3
271.31305	0.2
279.23288	100.0
280.23639	12.3
315.98068	0.3
343.08463	0.2
390.07681	0.2
450.61597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3207
Annotation	2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
Peak:m/z	Relative Intensity
57.03450	0.6
58.02142	0.4
58.02968	0.4
59.01381	12.8
61.98827	5.1
66.03497	0.5
71.01390	8.0
71.02541	1.3
71.04974	0.4
72.00884	0.5
72.99311	1.1
73.02953	2.4
73.04074	14.3
74.02473	1.8
81.03453	0.5
81.07069	0.5
81.15845	0.4
82.03004	1.1
82.06635	0.9
83.01393	0.7
83.02517	0.8
83.05029	1.0
83.06150	0.9
84.04556	3.1
84.30688	0.4
85.02948	2.6
87.00905	1.0
88.98836	0.6
89.02444	3.1
95.01413	0.6
96.00928	0.7
96.96029	1.0
98.02503	0.7
99.00916	0.5
99.80688	0.3
100.33755	0.4
101.02462	4.2
101.07236	1.6
109.04082	3.9
111.00920	0.5
112.07700	1.0
113.02454	2.2
113.03563	0.5
115.00387	3.5
116.92896	0.9
119.03518	0.6
119.05050	2.5
125.03638	1.9
127.05152	13.8
128.03561	6.7
129.10359	9.0
130.08746	1.5
130.10736	0.5
131.05042	0.6
133.01457	2.6
134.03728	0.7
135.03050	0.5
135.04552	3.6
139.08772	1.7
140.07214	2.0
143.03554	0.6
145.06213	30.4
146.06134	14.8
147.06499	0.7
149.04585	0.8
154.99861	0.6
155.08307	3.7
155.11945	0.8
161.04553	1.0
163.04018	2.8
163.08858	0.4
164.07309	0.5
167.08179	0.5
169.09933	0.5
175.02502	0.8
175.08655	0.4
179.03479	1.7
179.05649	0.5
183.06540	0.9
190.05148	0.4
193.05086	1.4
195.15143	0.5
196.14554	17.5
197.04507	0.6
197.14882	1.0
197.16621	0.6
198.12843	0.5
203.08405	0.9
207.14920	0.9
208.13394	1.0
213.10280	1.2
214.12343	1.7
214.15630	5.0
216.13924	0.5
220.10915	12.3
221.11348	0.4
222.12482	0.6
225.14061	0.5
225.16075	2.4
231.11453	1.1
240.13519	4.3
241.04964	0.4
241.13782	0.6
242.11838	2.0
242.18723	0.6
255.10265	0.8
258.14484	1.8
259.14566	1.7
261.04013	0.5
267.06558	0.6
271.09766	0.7
309.22873	2.1
311.21231	1.9
323.05496	0.4
327.24109	2.2
333.19421	0.6
338.07788	0.6
341.10657	0.5
343.04547	0.6
343.08243	1.3
353.10275	1.7
353.23178	0.4
354.21695	0.5
357.09982	1.0
371.23337	0.8
385.26096	1.0
424.43414	0.4
429.25339	0.5
441.89996	0.4
457.28375	1.3
474.30829	0.8
512.34570	0.9
515.28607	1.6
531.27106	0.8
533.29523	0.6
557.31274	2.8
558.30664	0.7
575.32043	100.0
576.32446	18.8
598.32379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04038	0.5
60.25904	0.5
68.89995	0.4
69.46037	0.4
69.68118	1.7
69.68533	1.7
71.01385	10.9
72.99317	2.0
89.02447	1.0
93.03490	0.6
115.00397	26.1
116.00692	0.6
119.05042	17.1
120.05399	0.9
128.30948	0.5
133.01453	100.0
134.01802	2.0
134.03741	0.7
135.04546	11.7
136.04852	0.8
138.69676	0.5
153.19144	0.4
157.60114	0.4
163.04028	29.5
164.04420	1.4
179.03514	14.2
180.03732	0.8
187.61055	0.5
279.05118	3.4
295.04535	1.4
363.65607	0.5
498.95520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08460	0.4
53.83524	0.4
63.14463	0.3
71.01389	13.0
71.31293	0.7
71.31618	0.5
72.99308	1.7
80.68842	0.4
83.01672	0.4
89.02460	1.4
91.45912	0.4
115.00391	29.6
116.00719	0.9
119.05041	17.9
120.05362	1.1
133.01450	100.0
134.01799	2.4
134.03729	1.0
135.04547	11.9
136.04874	0.9
163.04027	32.9
164.04390	1.8
177.30824	0.4
179.03508	14.7
265.70142	0.5
274.60287	0.5
279.05081	3.1
295.04703	2.1
330.29327	0.4
343.08115	0.5
397.01993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16771	1.2
57.03431	4.4
58.00597	2.5
59.01381	100.0
59.67704	1.1
61.33162	1.2
61.98823	5.5
69.03439	1.3
69.29782	1.4
71.01386	39.1
71.18835	3.1
72.99303	3.4
73.02951	28.6
75.00887	1.4
81.71812	1.1
83.01385	9.9
85.02954	7.8
87.00890	2.0
89.02453	14.0
95.01405	1.9
99.24944	1.2
101.01779	2.0
101.02455	38.7
102.02865	1.4
102.05670	1.2
103.00379	1.5
113.02468	14.4
113.99123	1.2
115.00383	12.7
116.92921	1.5
119.03527	7.0
119.05035	3.0
131.03491	2.7
133.01450	38.6
135.04565	5.9
137.09735	2.2
143.03468	3.6
149.04555	5.6
156.02052	1.5
160.11351	2.7
161.04596	10.7
163.03975	3.2
178.12395	23.3
179.03543	7.0
179.12891	1.4
203.05452	1.7
204.13837	1.2
221.06670	3.0
230.15483	1.5
248.16551	10.4
324.21518	1.3
343.08197	3.5
392.20724	6.0
393.21143	1.8
410.21924	7.2
452.10709	1.2
452.22937	33.7
453.23224	7.2
479.81116	1.3
488.19867	2.3
496.21942	7.9
530.20618	64.8
531.20837	11.4
563.03265	1.4
574.32788	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	574.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95917	0.7
59.01374	1.3
59.47041	0.7
61.98830	6.4
62.04849	0.7
62.96402	1.5
77.84978	0.8
78.95909	100.0
81.97720	0.7
96.95998	2.2
96.96980	7.0
98.20643	1.8
98.95573	1.2
99.92596	8.4
114.94936	2.6
115.92101	20.8
116.92859	10.4
117.92897	1.4
127.60300	0.9
140.01202	1.0
141.96048	5.2
150.98109	1.3
152.99622	23.3
154.00024	0.8
163.89804	2.1
171.00633	2.3
172.95534	1.5
178.88469	2.2
179.89235	23.1
180.90086	12.6
181.90764	3.4
194.87959	1.2
196.03851	1.8
196.89510	37.0
197.89517	2.1
204.92433	1.6
205.90784	1.2
205.93193	2.5
206.91600	0.9
208.89497	0.9
222.93486	1.8
235.91759	2.8
236.92697	4.0
277.21704	13.9
277.95071	1.0
400.22595	1.9
431.22162	2.6
465.13818	1.6
466.14590	2.9
474.26257	10.6
483.14886	3.5
497.13956	1.6
514.14392	2.4
538.16589	7.7
539.16669	2.6
540.13861	0.9
556.17822	9.7
557.18030	2.2
570.15668	3.3
574.18811	35.9
575.18976	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	573.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52628	0.5
51.95486	0.6
55.01881	0.8
57.03439	0.7
59.01378	100.0
60.01714	1.0
61.98833	10.1
63.32340	0.6
63.86449	0.7
69.03474	0.6
71.01385	22.5
71.72342	1.4
72.99311	0.7
73.02950	19.4
81.38712	0.6
83.01401	5.0
85.02940	3.6
87.00896	1.5
89.02456	5.4
89.06110	1.1
95.01363	0.8
97.02981	1.2
99.00891	1.4
101.02455	14.9
101.03091	1.2
102.02842	0.7
113.02482	6.2
115.00394	1.1
115.04044	0.6
116.92854	1.0
119.03515	2.2
121.02979	1.1
122.68411	0.6
125.02480	1.1
129.05600	0.7
131.03516	1.3
133.10237	1.8
137.09688	0.8
143.03549	1.5
149.04567	1.2
155.07159	0.8
161.04572	2.0
179.05588	1.5
221.06656	1.0
237.07649	2.0
289.17947	1.4
307.19174	7.9
308.19400	0.8
325.20099	0.7
381.12021	1.2
423.13135	0.8
456.78796	0.7
469.24448	2.1
487.25406	3.9
511.25632	4.6
512.25568	1.0
529.26489	83.1
530.19049	0.9
530.26892	15.2
573.29279	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	572.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03447	5.2
58.00595	0.8
59.01380	100.0
60.01717	0.8
61.98832	85.8
69.03454	1.0
70.43218	0.9
70.43613	1.0
71.01387	33.6
72.01749	0.7
72.99330	2.0
73.02951	30.7
75.00878	4.2
81.03477	0.6
83.01400	10.2
83.05022	1.1
85.02959	6.0
86.06136	1.7
87.00896	2.8
87.04512	0.7
88.13830	0.4
89.02458	10.5
95.01392	1.7
96.96015	3.4
96.97010	0.6
97.02962	1.0
99.00922	2.1
99.04522	0.9
99.92580	1.1
101.02457	34.7
102.02784	0.8
111.00912	0.8
113.02464	15.5
114.01980	0.5
115.00372	1.9
115.04072	0.6
115.92074	2.5
116.92877	7.4
119.03524	5.7
119.05018	0.6
120.01263	1.7
121.02988	0.8
122.06125	0.5
123.08183	0.9
125.02455	1.8
127.05099	0.6
128.03549	0.9
130.08702	2.0
131.03540	3.2
131.04402	0.7
133.01451	1.1
133.10210	0.7
135.03020	13.3
135.04541	0.6
137.09743	0.6
141.01982	2.9
143.03552	4.3
147.02925	0.5
149.04582	7.4
154.99863	1.1
155.03481	1.5
159.02980	1.0
160.07683	0.9
160.08925	1.4
161.04579	14.4
161.09714	0.6
163.03983	0.5
165.01926	0.5
173.08318	0.5
174.09210	1.3
175.02409	1.4
176.10851	2.9
176.97018	0.5
177.12808	0.5
179.05582	1.7
180.10298	1.2
186.10504	1.8
186.12488	0.4
187.11206	0.8
188.10738	2.4
189.12828	1.9
190.12366	1.3
203.05618	2.5
203.10757	1.6
204.14005	2.2
205.14268	0.6
212.14047	0.6
217.11043	0.5
221.06680	7.1
228.13931	3.3
230.15457	0.7
237.07529	0.5
246.14998	17.1
247.15305	1.4
248.16580	3.9
251.11438	0.8
262.12711	2.6
289.17932	0.6
293.12305	1.1
307.19073	4.4
372.17624	0.5
375.27307	0.6
381.11639	1.2
381.16263	0.6
390.19171	3.5
408.20065	2.1
423.13086	0.6
430.21948	0.5
450.21204	2.0
463.66425	0.5
469.23788	0.6
484.19644	1.5
486.17865	0.7
487.25122	0.9
494.19366	0.5
528.18982	4.5
529.26538	9.9
572.33795	4.5
573.13074	2.2
573.20789	0.7
573.29132	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	572.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03448	4.0
58.00597	1.0
59.01379	93.2
60.01718	1.5
60.99300	0.5
61.98831	100.0
69.03458	1.5
71.01387	30.7
71.05012	0.4
71.72512	0.6
71.72914	0.5
72.01723	0.9
72.99321	2.4
73.02950	26.2
74.03270	0.4
75.00866	2.7
78.95906	0.7
81.03479	1.0
83.01393	9.3
83.05035	0.9
83.64481	0.4
85.02966	6.4
86.06132	1.9
87.00892	3.2
87.04517	0.8
88.98816	0.9
89.02448	8.5
93.00446	0.4
95.01409	1.9
96.96020	2.8
96.96960	1.0
97.02966	1.1
97.06629	0.6
99.00898	1.4
99.04473	0.6
99.92619	1.1
101.02456	31.4
111.00932	1.3
113.02470	14.7
114.51350	0.4
115.00406	1.8
115.04019	1.0
115.92101	1.5
116.92886	6.9
119.03504	5.3
120.01273	1.6
122.06199	0.5
123.08174	0.9
123.34824	0.5
125.02445	2.0
128.03546	1.4
130.08736	2.1
131.03534	3.3
133.01427	1.0
135.03021	8.3
137.09760	0.7
138.19756	0.4
141.01994	2.6
143.03528	4.0
145.05064	0.7
149.04582	6.7
154.99864	0.9
155.03506	1.5
159.03006	0.7
160.07742	0.6
160.08940	1.5
161.04568	12.7
161.09691	0.8
163.03896	0.6
172.07657	0.6
174.09222	1.1
175.02400	1.3
176.10811	2.6
177.12889	0.6
179.05589	1.5
180.10281	1.2
186.10493	2.0
186.12671	0.5
187.11305	0.6
188.10797	2.7
189.12794	1.7
190.12341	0.9
202.12300	0.6
203.05634	2.3
203.10742	1.2
204.13927	3.0
213.51947	0.5
220.11841	0.5
221.06674	5.9
228.13818	2.1
237.07544	0.5
246.14961	15.8
247.15242	1.4
248.16556	3.3
251.11307	0.8
262.12653	3.1
279.80750	0.5
289.17944	1.3
293.12350	1.4
307.19122	4.4
321.43134	0.5
331.76749	0.5
354.20187	0.8
375.27432	1.2
381.11667	1.4
381.16547	0.7
390.19208	2.8
408.20334	2.3
409.20651	0.5
430.21335	0.5
450.20990	2.0
469.24142	0.7
482.19162	0.5
484.19775	1.5
486.17416	0.7
487.25250	0.6
494.20172	1.2
509.27429	0.8
528.18738	4.1
528.25464	1.0
529.26654	9.0
572.33826	5.1
573.12286	1.3
573.28796	1.7
592.07098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2894
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
70.14845	1.7
73.25822	0.4
78.95908	52.0
84.04089	0.3
96.96349	0.6
96.96976	11.7
134.98499	0.4
150.98021	0.6
152.99606	50.3
153.99936	0.9
181.44757	0.3
223.00117	1.5
241.01189	28.2
242.01552	1.1
255.23288	64.9
256.23621	6.3
259.02066	0.4
315.04877	7.1
333.06000	0.4
391.22559	3.7
392.22940	0.8
441.29578	0.4
544.59363	0.4
571.28931	100.0
572.29248	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63129	0.3
59.01381	6.6
63.96231	0.9
64.97016	0.5
70.74356	0.6
70.74722	0.7
71.01387	6.6
72.01739	0.3
72.99303	0.5
73.02947	1.4
74.99103	3.3
75.00884	0.4
79.95744	12.2
80.96523	2.9
83.01406	0.4
85.02956	2.1
87.00926	0.4
89.02455	4.9
95.01416	0.6
95.95245	31.1
96.96022	100.0
97.95992	0.3
98.20532	0.3
99.00896	0.4
101.02451	5.6
104.74770	0.3
111.92961	0.3
113.02470	2.3
119.03492	1.5
125.02441	0.4
129.01962	0.6
131.03535	0.8
138.97076	0.9
143.03571	0.5
161.04585	0.7
166.03331	2.0
179.05626	1.0
212.00252	0.5
214.98535	0.3
218.70337	0.3
221.06659	6.9
403.05530	0.4
421.06573	1.1
569.18774	0.7
570.09644	63.6
571.09998	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
61.59715	0.3
61.98833	2.5
71.01385	2.3
72.99311	0.8
73.02961	1.7
78.95928	0.7
83.01395	0.7
85.02959	0.7
87.00869	0.5
89.02475	0.6
96.96028	5.5
96.96979	0.5
98.95609	4.8
98.96426	1.0
98.99702	0.3
99.00900	0.9
99.92599	26.1
100.92618	2.0
100.93388	2.2
101.02451	1.7
101.93479	0.4
103.00365	0.6
111.00909	0.4
113.02469	1.0
114.94930	0.5
115.00384	0.9
115.03860	0.3
115.92098	35.5
116.92879	100.0
117.92904	6.5
117.93668	0.6
119.03602	0.4
126.94949	1.0
127.05181	0.4
128.03551	0.7
132.92348	0.5
133.01421	0.5
135.04573	0.4
140.92885	0.4
141.93689	1.8
142.94464	1.8
149.09808	0.3
154.94511	0.4
156.92387	0.4
158.93913	0.7
161.04597	0.5
165.05557	0.3
167.95284	0.4
168.95992	0.6
169.93175	0.7
170.93982	1.1
171.94743	0.5
174.93459	0.7
175.02518	0.9
179.10732	0.4
180.55185	0.3
183.94659	0.4
184.91861	1.3
184.95418	0.9
185.92630	0.4
196.81384	0.4
196.95551	0.7
198.93526	0.4
224.94980	0.4
226.96521	1.7
242.96037	0.7
244.97574	2.1
252.27599	0.3
259.96255	0.7
345.96381	0.6
409.07495	0.4
449.09079	5.6
450.09378	1.2
467.10147	19.8
468.10397	4.1
468.16788	0.5
485.11371	2.2
486.11328	0.5
491.10074	2.4
492.10721	0.5
509.11426	1.2
510.12024	0.5
527.12274	4.2
528.12543	1.3
535.09070	23.7
536.09406	5.6
548.13013	0.3
571.11249	7.8
571.25439	0.5
572.11554	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	569.1903
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
50.62008	0.5
55.01895	0.6
56.22554	0.5
59.01385	9.0
61.98826	0.7
68.99822	0.5
69.85969	1.6
69.86382	1.9
71.01390	8.9
72.99323	2.7
73.02956	1.1
75.00880	4.4
79.95757	1.7
83.01400	2.2
85.01044	4.8
85.02980	3.8
87.00893	1.9
87.04519	0.5
88.98824	2.8
89.00693	1.2
89.02465	4.0
95.01406	0.5
95.95240	4.0
96.00956	0.5
96.96028	14.8
97.02938	0.7
98.02440	0.6
98.99106	0.6
99.00880	1.2
99.04534	0.6
99.08170	0.8
101.02457	5.2
103.00394	1.7
112.98843	6.1
113.02484	5.0
113.03632	0.6
115.00409	2.8
115.02113	1.1
117.00168	2.3
117.01942	1.0
119.03491	1.1
119.05019	0.7
123.00859	0.6
123.04470	0.5
124.98829	0.9
125.02473	0.9
127.02145	0.8
128.03581	0.9
129.01979	1.1
133.01443	2.3
134.03773	1.4
135.04552	1.4
136.01692	2.4
143.03528	0.7
143.05219	1.9
145.01451	11.3
145.03108	1.5
149.06108	0.7
151.04044	4.2
157.01462	1.7
157.03136	0.7
162.03287	1.4
163.04018	1.1
169.03085	0.9
177.05527	0.9
178.02635	0.6
179.05603	1.0
181.01462	8.6
187.02579	0.9
187.04236	1.4
187.07858	1.7
196.03798	12.5
211.06129	18.4
212.06473	1.1
263.05890	0.6
331.12277	0.7
333.06482	2.7
349.13120	11.7
350.13232	1.2
363.14783	2.1
377.14380	0.7
389.12231	0.5
391.14313	1.4
421.11661	1.8
425.11087	0.8
433.15390	0.5
537.16077	1.2
569.19037	100.0
570.09637	8.0
570.19360	14.2
570.28210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.3
59.01380	5.4
61.98829	0.3
67.01865	0.2
71.01385	4.3
72.99329	0.4
73.02955	0.3
83.01393	0.3
85.02948	0.7
87.00892	0.5
88.36544	0.1
89.02456	3.2
95.01402	0.9
96.96043	0.2
97.02958	0.1
99.00887	0.2
101.02462	1.6
109.02959	0.4
111.00884	0.2
112.70290	0.1
113.02470	1.1
115.00372	0.3
119.03529	1.2
119.05045	0.2
123.00901	3.0
124.07748	0.1
125.02431	0.9
127.05198	0.2
128.03571	0.3
131.03499	0.2
133.01451	0.5
133.02982	0.3
133.06573	0.2
135.00900	0.4
136.01558	0.1
137.02451	1.3
139.00389	0.4
143.03537	0.3
145.03053	0.2
149.04587	0.1
151.00394	1.5
151.03996	0.2
152.01125	0.5
152.04790	1.9
153.01953	2.7
154.99924	0.2
161.04633	0.2
162.03238	5.2
163.00414	0.5
163.03748	0.4
166.02510	0.2
167.03473	0.3
176.07222	0.2
177.05580	2.8
178.02711	0.5
178.05881	0.2
179.03506	0.3
179.05617	0.7
179.06947	0.1
181.01443	41.0
182.01776	2.0
183.06631	0.1
184.03813	0.5
186.10851	0.1
193.05083	0.2
195.03024	0.9
196.03784	63.8
197.04138	3.6
204.06740	0.1
211.06128	100.0
212.06470	5.7
313.81937	0.1
465.26917	0.2
548.61646	0.1
569.30682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
57.03452	6.1
57.30170	1.0
58.00605	1.6
59.01379	90.8
61.98830	43.0
69.03448	1.9
70.49342	4.7
70.76192	0.9
71.01385	68.3
72.99316	2.5
73.02950	26.2
75.00874	1.9
75.13831	0.9
77.94962	1.0
78.50352	1.0
83.01401	13.9
85.02958	33.0
86.00133	1.2
86.03268	1.2
87.00886	6.0
88.98825	1.6
89.02460	15.0
95.01380	4.6
97.02963	2.7
99.00902	9.1
101.02454	49.2
102.02763	1.8
109.02943	1.1
111.00864	1.9
113.02466	27.0
114.02788	1.6
115.00368	4.1
119.03510	2.4
125.02438	4.0
129.01929	2.7
131.03520	3.9
133.01509	1.4
135.03018	2.0
135.04541	2.2
143.03500	3.5
149.04558	3.4
155.10765	3.0
159.02989	5.0
159.06618	1.5
161.04565	22.5
170.30504	1.0
175.07596	1.2
177.14267	1.1
179.03549	2.4
199.09749	2.9
223.25467	1.1
243.12306	2.5
256.03754	1.3
271.06152	9.4
286.08533	6.1
299.18744	6.6
301.10767	8.3
302.11026	1.9
329.13763	1.7
330.14282	1.6
331.14590	2.4
345.09729	3.5
373.22308	92.4
374.22650	12.4
385.22693	1.1
403.10559	2.5
445.24408	1.6
461.23935	2.3
503.24692	2.0
505.26486	100.0
506.26782	17.7
521.19147	1.5
521.26025	36.4
522.26141	6.5
565.20709	4.2
565.29529	11.1
566.30212	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	567.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27739	1.1
57.03446	2.4
59.01378	67.6
60.21565	1.1
61.98831	99.7
69.03436	1.7
69.61916	6.2
69.62341	3.6
71.01383	15.7
72.99304	1.8
73.02959	5.5
75.00871	1.2
83.01385	2.3
84.91515	1.2
85.02955	6.9
87.00887	2.1
89.02452	7.0
91.70163	1.0
97.00510	1.1
97.02959	1.5
101.02448	12.6
113.02458	7.9
119.03497	3.9
126.12311	1.2
128.03600	1.4
131.03461	1.1
139.11308	34.4
153.54445	1.2
163.11287	1.7
172.49600	1.2
181.12352	17.5
183.10291	40.2
184.10558	3.4
197.11827	1.3
199.13416	5.4
204.71272	1.1
225.11298	15.3
243.12370	78.3
244.12772	4.6
285.13394	5.2
297.13391	1.4
315.14508	2.8
387.16666	26.9
388.16980	2.6
403.23389	1.9
479.65536	1.4
505.26715	1.4
523.27521	31.7
524.27887	6.3
557.25012	1.7
567.22961	100.0
568.23273	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03447	1.8
58.00591	1.0
59.01381	42.2
60.01699	0.7
61.98836	7.8
69.03452	0.8
71.01390	16.8
72.00764	0.6
72.99312	1.5
73.02953	4.9
78.95930	0.6
83.01389	2.6
85.02969	6.8
86.00085	0.7
87.00881	6.5
88.17468	0.6
88.98808	0.9
89.02457	3.7
95.01413	1.0
97.02959	0.8
98.20684	0.9
99.00896	1.6
99.15953	0.5
101.02464	8.9
102.02781	0.8
109.06549	0.6
111.00883	0.6
112.01723	0.8
113.02467	6.0
113.09729	1.0
115.00387	1.5
119.82043	0.6
121.28562	0.5
124.01676	1.2
125.02463	1.8
125.09799	0.8
127.11317	0.9
133.01483	0.9
134.27255	0.7
143.03519	1.4
161.04549	1.0
175.02481	0.6
201.78439	0.6
205.16245	0.6
211.16902	0.5
237.18524	1.2
239.14330	1.0
239.16454	5.2
244.07306	0.5
249.41954	0.6
255.19623	8.3
256.20004	1.2
257.17572	25.5
258.17966	1.4
269.17603	1.3
299.18460	1.6
317.19443	0.7
361.29453	1.3
399.24005	1.8
401.21777	6.4
403.19714	2.3
405.09946	1.4
417.24942	8.3
418.25363	1.1
419.22885	22.8
420.23215	2.7
420.84064	0.6
443.22839	1.4
459.26120	0.9
461.23889	12.4
462.24231	1.7
462.91187	0.6
479.24884	3.1
503.24988	4.8
505.33984	8.9
506.33813	1.4
518.66168	0.7
521.26038	100.0
522.26434	14.9
523.34760	2.8
565.29840	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	565.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65957	0.8
53.06019	0.7
55.01881	1.1
55.58314	1.0
57.03454	4.6
59.01381	100.0
60.01725	4.4
61.98834	22.6
69.03466	1.8
69.37672	1.6
69.38011	9.7
71.01389	28.2
71.05016	0.8
72.01723	1.3
72.99305	2.2
73.02954	10.0
75.00871	0.7
78.95924	1.9
83.01400	5.1
83.05018	0.9
85.02960	12.1
87.00889	2.7
87.04528	2.3
88.98799	1.1
89.02451	8.5
95.01416	2.6
97.02985	1.4
99.00897	1.7
99.04572	1.9
101.02457	16.4
102.02776	1.0
104.05110	0.9
106.06644	32.2
106.31355	0.8
107.06987	0.9
111.00876	1.2
113.02461	14.9
113.45563	0.9
114.02845	1.2
115.00385	2.5
115.29741	0.7
116.05092	4.0
116.92879	1.7
118.06636	0.9
119.03529	2.2
120.01286	1.2
122.06126	1.6
125.02465	1.6
130.94057	1.0
133.01500	1.0
134.06117	1.7
135.04588	1.2
138.05626	5.2
140.07182	1.7
143.03529	2.5
144.08209	3.8
150.05637	15.5
156.08290	1.4
157.08987	1.6
158.09755	1.3
161.04555	3.9
164.07172	4.0
167.05919	4.0
170.09787	3.7
173.11914	1.3
179.05603	1.7
184.11331	3.2
186.12914	19.1
187.13376	1.4
188.14481	1.2
192.06750	2.3
200.07213	1.7
201.07954	4.0
202.12482	1.0
213.10361	1.0
214.08687	0.9
215.09494	2.5
225.06575	2.0
226.07472	6.4
228.10304	4.0
229.10963	2.5
230.11879	16.4
237.10400	1.8
239.08186	5.0
240.08961	3.3
244.13425	2.0
245.06935	1.0
248.12871	1.8
253.09659	1.2
254.10570	7.9
255.11397	24.6
256.09625	6.8
256.12112	1.3
257.10263	1.1
269.12793	1.2
272.09320	1.7
273.12445	7.5
274.10809	32.7
275.11212	2.8
281.09225	1.9
297.12424	1.7
299.10342	11.3
313.11963	1.4
315.25214	1.4
316.11932	9.1
317.11450	23.4
317.26883	1.1
318.11816	2.7
341.11349	4.7
359.12549	2.7
359.28033	1.2
360.28406	2.7
361.29565	7.6
398.11133	2.4
461.15448	1.1
461.31155	9.0
462.31827	1.0
478.17276	1.9
479.32181	3.3
488.32919	1.0
503.16632	10.8
503.32291	1.4
504.17340	1.6
504.32489	12.2
505.33725	55.5
506.34012	6.3
521.17657	31.8
522.17914	6.2
522.33850	4.5
523.34839	11.2
524.35394	1.1
565.21692	1.8
565.35797	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03441	0.5
59.01085	0.8
59.01380	16.0
61.98841	3.5
62.91079	0.4
71.01389	6.7
71.72434	0.4
71.72822	0.7
72.72916	0.4
72.99310	0.6
73.02942	3.6
73.34932	0.4
74.02489	0.7
75.00885	0.4
80.05085	0.5
83.01389	1.4
85.02970	2.8
87.00890	0.6
88.98822	0.7
89.02458	2.2
95.05022	0.5
96.95975	0.6
99.00873	0.7
101.02448	4.1
108.04543	0.5
113.02430	2.3
113.03571	0.5
116.05053	0.5
119.03526	1.0
120.04555	0.5
122.06148	2.2
125.02460	0.5
130.02940	0.6
131.03525	0.5
132.04585	3.9
133.01518	0.8
135.03078	0.6
135.04517	1.2
137.09734	2.4
146.06107	0.5
147.03207	1.1
148.03999	0.5
149.04517	0.9
150.05602	1.1
158.02531	2.6
160.04074	3.3
161.04611	1.3
162.05634	0.9
163.07565	0.8
174.05595	0.4
176.03555	3.9
176.07195	1.0
179.03546	0.9
179.05562	0.4
179.10878	1.1
181.08710	1.0
184.07716	0.9
190.05118	10.0
191.05789	0.6
192.06676	1.4
196.11394	0.7
197.11838	1.0
198.04408	0.4
211.12369	0.7
212.05760	0.6
212.10745	0.9
215.11836	1.4
220.02451	0.8
223.04726	0.9
224.09515	3.2
226.07504	0.8
227.08237	1.8
228.09009	0.5
234.04036	1.0
235.04854	0.6
237.10519	0.5
238.08757	0.6
239.04694	0.4
239.08350	0.6
239.11891	8.5
240.10214	1.8
240.12398	0.8
241.10104	2.9
250.07466	1.0
253.06117	6.8
254.06653	0.8
255.07748	1.4
255.11310	2.1
264.25320	0.4
265.09781	1.7
267.07697	3.1
268.08533	5.5
269.09076	0.5
281.09253	3.5
283.10876	34.4
284.11264	3.4
285.08673	0.6
287.10236	0.9
299.18622	1.4
301.10892	0.6
309.08783	9.6
310.09094	1.1
313.12866	0.8
315.13412	1.1
327.09842	18.3
328.10144	1.8
341.11374	3.8
353.07956	0.6
359.12439	1.8
371.08884	12.0
372.09149	1.3
385.10474	0.8
385.15002	2.0
403.11478	100.0
404.11816	13.3
461.23956	1.0
479.25204	0.6
504.26596	0.5
521.26007	8.2
522.26160	1.5
533.14001	1.8
535.97607	0.4
565.15887	10.8
565.28986	1.8
566.17090	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	565.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03441	0.5
59.01085	0.8
59.01380	16.0
61.98841	3.5
62.91079	0.4
71.01389	6.7
71.72434	0.4
71.72822	0.7
72.72916	0.4
72.99310	0.6
73.02942	3.6
73.34932	0.4
74.02489	0.7
75.00885	0.4
80.05085	0.5
83.01389	1.4
85.02970	2.8
87.00890	0.6
88.98822	0.7
89.02458	2.2
95.05022	0.5
96.95975	0.6
99.00873	0.7
101.02448	4.1
108.04543	0.5
113.02430	2.3
113.03571	0.5
116.05053	0.5
119.03526	1.0
120.04555	0.5
122.06148	2.2
125.02460	0.5
130.02940	0.6
131.03525	0.5
132.04585	3.9
133.01518	0.8
135.03078	0.6
135.04517	1.2
137.09734	2.4
146.06107	0.5
147.03207	1.1
148.03999	0.5
149.04517	0.9
150.05602	1.1
158.02531	2.6
160.04074	3.3
161.04611	1.3
162.05634	0.9
163.07565	0.8
174.05595	0.4
176.03555	3.9
176.07195	1.0
179.03546	0.9
179.05562	0.4
179.10878	1.1
181.08710	1.0
184.07716	0.9
190.05118	10.0
191.05789	0.6
192.06676	1.4
196.11394	0.7
197.11838	1.0
198.04408	0.4
211.12369	0.7
212.05760	0.6
212.10745	0.9
215.11836	1.4
220.02451	0.8
223.04726	0.9
224.09515	3.2
226.07504	0.8
227.08237	1.8
228.09009	0.5
234.04036	1.0
235.04854	0.6
237.10519	0.5
238.08757	0.6
239.04694	0.4
239.08350	0.6
239.11891	8.5
240.10214	1.8
240.12398	0.8
241.10104	2.9
250.07466	1.0
253.06117	6.8
254.06653	0.8
255.07748	1.4
255.11310	2.1
264.25320	0.4
265.09781	1.7
267.07697	3.1
268.08533	5.5
269.09076	0.5
281.09253	3.5
283.10876	34.4
284.11264	3.4
285.08673	0.6
287.10236	0.9
299.18622	1.4
301.10892	0.6
309.08783	9.6
310.09094	1.1
313.12866	0.8
315.13412	1.1
327.09842	18.3
328.10144	1.8
341.11374	3.8
353.07956	0.6
359.12439	1.8
371.08884	12.0
372.09149	1.3
385.10474	0.8
385.15002	2.0
403.11478	100.0
404.11816	13.3
461.23956	1.0
479.25204	0.6
504.26596	0.5
521.26007	8.2
522.26160	1.5
533.14001	1.8
535.97607	0.4
565.15887	10.8
565.28986	1.8
566.17090	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	565.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
56.78742	0.4
57.03453	0.5
59.01382	13.6
61.98822	2.4
71.01382	5.9
73.02952	3.2
80.05071	0.6
83.01396	1.3
85.02959	2.8
87.00902	0.7
88.98791	0.7
89.02462	2.9
95.01424	0.6
99.00888	0.5
101.02464	3.7
111.00896	0.9
113.02464	1.9
115.00422	1.2
119.03577	0.6
119.05042	0.8
120.01266	0.6
122.06143	2.3
123.08167	0.8
129.01978	0.5
131.03572	1.0
132.04591	2.9
133.01428	2.7
135.04546	1.3
135.37663	0.5
137.09747	1.2
143.00397	0.5
147.03235	1.4
148.04008	1.0
150.05618	1.4
158.02483	1.8
160.04092	3.0
161.04646	1.9
162.05644	1.0
163.03976	0.7
174.05623	0.8
175.02429	0.5
176.03537	3.0
176.07140	1.2
179.03571	0.6
179.05719	0.9
179.10789	0.6
184.07669	0.7
186.12764	0.5
190.05122	7.0
191.05756	1.1
197.11963	0.7
209.02946	0.5
211.12372	1.2
212.10928	0.8
215.11864	1.3
223.04691	1.0
223.08801	0.8
224.09526	1.8
225.07947	0.8
227.08278	1.7
234.03966	0.8
238.08540	0.7
239.08260	0.8
239.11914	7.4
240.10199	2.0
240.12375	1.0
241.09657	2.7
250.07674	0.6
253.06229	5.6
254.06728	1.2
255.07611	0.8
255.11418	1.9
263.07797	0.7
265.09821	1.2
267.07809	3.1
268.08545	4.1
271.06021	0.7
281.09418	3.3
282.09793	0.7
283.10895	33.9
284.11246	3.4
287.10352	1.0
301.10904	0.7
309.08823	11.4
310.09271	1.5
315.13531	0.9
327.09866	18.7
328.10208	2.1
331.73273	0.7
341.11362	3.7
353.07666	1.4
359.12216	1.2
371.08871	10.3
372.09024	1.4
385.10126	0.7
385.15082	1.2
385.68515	0.5
403.11490	100.0
404.11810	12.6
461.24054	1.2
479.25220	0.6
521.26080	4.3
533.14398	0.7
565.16742	5.9
565.22058	2.7
565.28894	1.2
566.17383	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	564.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01848	0.1
57.03458	0.2
59.01379	2.6
61.98833	100.0
62.98522	0.2
68.38927	0.1
71.01398	1.0
71.08178	0.1
71.08521	0.3
73.02953	0.5
74.02478	1.2
83.01421	0.2
85.02968	0.3
87.00881	0.4
88.98814	0.4
89.02460	0.6
98.02270	0.1
101.02477	0.7
113.02486	0.4
115.00395	0.2
133.01451	0.2
135.04570	0.2
138.84683	0.1
149.04593	0.3
161.04599	0.1
166.31715	0.1
171.64290	0.1
179.03535	0.1
184.86542	0.1
269.04684	0.1
270.05023	0.2
271.06256	0.6
299.18567	0.1
417.24966	0.2
432.84552	0.1
461.23624	0.1
478.26880	0.2
506.14130	0.2
520.27600	1.6
521.26160	0.9
564.30298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0485
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
61.98816	1.0
62.96403	0.5
67.47022	0.3
69.87227	2.2
71.01381	0.4
78.95911	100.0
85.02942	0.4
96.96072	2.4
96.96974	38.7
98.20231	0.9
111.02017	9.2
115.00364	1.5
120.96971	1.6
133.01439	2.3
133.06639	0.6
135.04544	0.6
138.98045	3.6
150.98035	3.4
158.91214	0.7
158.92555	15.4
165.72136	0.3
173.39581	0.3
174.98053	1.2
175.02472	1.2
176.02762	0.4
176.93568	1.5
179.03493	0.7
180.00986	0.3
183.87955	0.3
192.99168	1.5
198.35384	0.3
211.00150	4.5
223.06479	0.4
226.01871	0.3
241.01195	7.6
242.01619	0.4
259.02365	0.5
272.95688	5.2
280.02246	1.8
297.06158	0.3
300.67502	0.4
305.01837	1.0
320.97821	3.3
323.02869	62.0
324.03180	3.8
337.09192	0.3
384.98480	5.1
402.99670	1.8
442.93753	0.4
565.04828	29.9
566.05139	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	565.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29959	0.2
50.87525	0.2
53.85450	0.3
61.49249	0.3
61.98814	0.3
62.96404	0.8
70.07127	1.5
71.01407	0.6
78.95909	100.0
86.65971	0.3
92.74355	0.3
96.96085	2.2
96.96975	38.3
98.20415	0.7
102.21261	0.3
105.82485	0.3
106.29741	0.3
111.02024	8.6
115.00404	0.8
120.96981	1.9
128.03632	0.3
133.01419	1.0
134.01767	0.3
135.04646	0.4
138.98056	3.4
150.98045	3.5
158.92558	15.7
162.98029	0.5
174.98027	1.1
176.93597	1.5
179.03563	0.6
192.99098	1.5
211.00114	4.9
223.00044	0.5
241.01199	8.3
242.01550	0.4
272.95712	4.8
280.02243	1.8
305.01770	1.1
320.97913	2.4
323.02869	59.6
324.03159	4.5
369.85065	0.3
380.74832	0.3
384.98499	4.4
385.98547	0.4
402.99368	1.5
433.04059	0.3
467.07431	0.3
501.68124	0.3
565.04846	26.4
566.05225	3.0
566.22498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0487
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
62.96416	0.8
69.68432	0.5
69.68845	1.5
70.23804	0.2
78.95909	100.0
82.65572	0.2
96.96076	2.6
96.96973	38.4
98.95634	0.4
99.37074	0.3
111.02018	8.4
120.96984	1.6
134.82053	0.2
136.96477	0.3
138.98044	3.7
150.98039	3.1
158.92560	15.5
162.98004	0.4
164.03479	0.3
168.98984	0.4
174.98039	0.7
176.93578	1.7
182.04613	0.4
192.99091	1.8
211.00122	5.6
241.01181	8.9
242.01398	0.3
272.95706	5.2
280.02368	2.3
291.44186	0.3
305.01779	1.1
320.97794	2.5
323.02853	59.4
324.03137	3.9
378.80960	0.5
379.81628	0.3
380.80630	0.6
384.98462	4.2
385.98840	0.3
402.99454	1.8
420.82422	0.6
421.82144	0.4
422.82007	0.9
510.41098	0.3
565.04803	28.3
566.05109	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	564.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64542	0.1
55.01881	0.2
57.03445	0.2
59.01382	8.4
60.01720	0.3
61.98833	100.0
62.98532	0.3
62.99271	0.1
64.30650	0.1
69.82008	1.0
71.01389	3.7
72.01721	0.3
72.99329	0.2
73.02954	1.5
83.01401	0.6
85.02957	1.3
87.00896	0.4
88.98820	0.5
89.02458	3.1
90.02808	0.2
96.00948	0.2
98.19896	0.2
99.00909	0.3
99.04514	0.2
101.02458	2.6
102.02818	0.3
103.02909	0.2
111.00911	0.2
113.02468	1.2
114.02819	0.1
115.00434	0.5
116.92875	0.1
119.03548	0.5
125.02570	0.2
131.03525	0.8
132.03886	0.2
133.01454	0.2
135.04539	0.5
143.03488	0.2
149.04594	2.5
150.04965	0.6
155.10858	0.4
161.04585	0.6
175.02568	0.2
178.30923	0.2
179.03558	0.2
179.05696	0.2
191.05617	0.4
199.09814	0.2
203.34743	0.1
243.12399	0.1
271.06213	0.5
271.92679	0.1
286.08420	0.3
299.18933	0.2
301.10886	0.5
329.13898	0.4
330.14484	0.4
369.39066	0.1
373.22211	1.4
403.10596	0.2
405.17010	0.1
443.23062	0.2
503.25839	0.2
504.25610	0.4
505.26572	1.8
521.25946	3.7
521.33356	0.2
564.19867	0.3
564.28156	0.4
565.21021	0.3
565.29871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63589	0.2
57.03462	0.3
59.01379	8.7
60.01709	0.6
60.36718	0.2
61.98831	100.0
62.98565	0.3
63.61979	0.2
66.01534	0.2
67.60509	0.2
71.01386	2.8
72.01736	0.2
73.02966	0.7
74.02465	1.5
74.17966	0.2
78.95882	0.2
83.01408	0.7
85.02970	0.7
87.00901	0.8
88.98811	0.5
89.02443	2.5
90.02801	0.4
95.40422	0.2
97.06722	0.2
101.02451	1.6
107.01419	0.3
110.06124	0.2
113.02477	0.6
115.00382	1.5
116.00775	0.3
119.03488	0.3
119.05034	0.6
131.03534	0.8
135.03081	0.3
135.04518	0.3
139.00371	0.3
149.04565	1.8
150.04958	0.5
151.00424	0.8
157.01491	0.5
175.02443	1.2
176.02762	0.3
177.02003	0.2
179.05635	0.2
183.73083	0.3
185.05885	0.2
191.05672	0.3
207.13976	0.2
207.50101	0.2
210.12177	0.2
212.04373	0.2
225.14999	0.3
226.15408	0.3
227.03500	2.7
227.12939	1.3
228.03818	2.5
228.13274	1.3
255.02948	5.3
256.03336	5.9
257.03882	0.5
269.13907	0.3
270.14325	0.4
271.06058	1.4
273.12405	0.3
284.03253	7.9
285.03622	10.0
286.04105	1.3
287.15082	0.7
288.15369	0.9
361.26035	0.2
366.28064	0.2
400.07745	0.2
406.18307	0.8
428.44894	0.2
445.17456	0.2
446.17584	0.9
478.27286	0.2
504.25406	0.7
505.20480	0.3
520.27771	1.5
521.18567	0.3
521.26477	1.0
564.14655	12.3
564.21045	3.1
565.14050	2.5
565.29724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03444	1.1
58.00590	0.1
59.01381	28.1
60.01708	1.3
61.01809	0.2
61.98832	100.0
62.98527	0.2
69.03469	0.4
69.59361	1.1
71.01387	6.6
71.05030	0.2
72.01720	0.6
72.99323	0.5
73.02953	1.9
78.95924	0.2
81.57610	0.1
82.87895	0.1
83.01405	1.5
83.05029	0.2
84.01724	0.1
85.02965	3.6
85.12167	0.1
86.03307	0.4
87.00905	0.7
87.04520	0.3
88.98832	0.2
89.02460	2.2
95.01398	0.6
97.02978	0.3
97.06590	0.1
99.00879	0.7
99.92593	0.1
101.02461	4.2
102.02798	0.5
106.06627	0.2
111.00935	0.6
112.01752	0.2
113.02467	3.7
114.02814	0.3
115.00414	0.2
119.03516	0.4
120.01260	0.9
125.02470	0.6
125.06115	0.1
127.11331	0.2
129.01968	0.2
133.01454	0.2
135.04562	0.2
137.09740	0.4
138.10098	0.1
141.09267	0.1
143.03528	0.5
145.43338	0.1
149.04591	0.3
155.10789	0.5
157.12503	0.1
159.03026	0.3
161.04572	0.9
169.71635	0.1
171.14034	0.1
173.11853	0.2
175.02409	0.2
179.05618	0.1
201.15016	0.6
202.15367	0.2
214.41634	0.1
230.15178	0.3
231.15511	0.1
251.20224	0.3
252.20477	0.2
267.11267	0.2
271.22778	0.2
277.21796	0.1
281.19141	0.2
293.09277	0.1
311.10562	0.2
341.27032	0.2
343.28601	0.2
359.28021	1.7
360.28400	1.6
361.29489	0.5
382.33075	0.1
457.24194	0.1
461.31091	1.0
479.32285	0.3
485.30960	0.3
486.31772	0.1
503.21204	0.2
503.32239	7.7
504.32584	16.1
505.33530	4.4
521.33325	2.4
522.33582	5.0
523.34454	1.2
532.13208	0.2
546.34070	0.2
563.34583	0.3
564.25818	0.4
564.34784	1.0
565.25580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00241	0.9
57.03440	2.6
57.87638	0.9
59.01381	67.5
60.01707	1.6
61.98835	25.0
69.03463	1.6
69.50747	7.7
69.51157	1.9
71.01389	16.0
72.99288	1.9
73.02943	6.7
75.00873	1.0
78.95938	1.7
80.05055	5.2
83.01398	3.7
85.02940	7.3
87.00903	2.3
89.02461	6.3
89.54845	0.9
95.01382	1.0
95.81314	0.9
99.04496	1.0
101.02453	9.6
104.05081	2.8
106.06640	32.3
107.07013	1.4
108.08199	1.8
113.02449	9.8
113.06116	1.0
115.00401	2.7
119.03525	2.5
125.02427	1.0
127.05180	2.4
128.03589	1.7
130.06644	1.1
130.08743	1.6
131.03577	1.2
132.04572	17.1
134.06145	3.3
140.07117	1.0
146.18011	1.0
148.04065	2.7
150.05603	1.0
152.07214	4.3
158.02567	1.0
158.06044	1.5
160.04036	4.5
160.07674	5.2
161.04596	3.2
165.93324	1.0
174.05630	2.6
175.02454	2.3
178.05103	2.0
178.41151	1.1
194.04573	2.3
199.12502	2.1
210.08015	3.6
211.08717	3.9
212.56282	1.0
221.10884	1.6
222.12566	1.0
223.08815	11.4
223.12376	2.6
224.09552	14.2
225.10342	20.1
226.10728	1.5
227.14117	2.1
234.04079	0.9
234.08009	2.1
235.08766	4.1
236.05940	2.7
237.06700	1.7
237.10341	3.8
238.10793	1.3
239.08186	1.6
239.11896	11.1
241.13347	1.9
247.08679	1.2
248.09534	1.7
249.06494	1.3
249.10307	6.6
250.07376	8.7
251.08234	40.1
251.11034	1.9
252.08669	5.2
265.09799	22.3
265.24512	1.1
266.10321	3.1
267.11377	45.2
268.11746	4.5
271.22986	1.2
285.12430	6.0
292.07999	1.1
293.09326	58.0
294.09698	4.7
297.18478	1.1
311.10358	36.9
312.10703	3.6
329.11316	1.1
332.17551	1.5
337.08151	2.2
338.16470	1.3
355.09332	33.9
356.09601	3.2
356.13995	3.0
358.15482	1.7
359.28073	4.3
360.28391	2.4
384.13528	5.7
387.12036	2.7
389.74780	1.0
398.15222	6.0
399.15277	1.3
400.16730	3.4
426.14667	15.6
427.14938	2.9
444.15616	18.3
445.16098	3.2
457.24295	1.3
459.29596	2.1
460.29883	2.3
470.13635	4.6
488.14597	39.0
489.14896	6.8
501.27206	3.5
503.32227	9.7
504.32498	7.6
505.33463	3.7
514.12549	3.3
520.17169	8.4
521.25879	1.0
521.33325	4.1
522.33630	3.5
532.13562	100.0
533.13940	19.5
546.14996	1.8
563.34454	15.1
564.15790	2.4
564.23450	3.4
564.34363	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	563.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03448	3.6
58.00598	0.5
59.01381	95.6
60.01715	1.0
61.98834	4.9
68.99808	0.3
69.03461	1.4
71.01388	21.8
71.05021	0.5
72.01727	0.5
72.99324	1.1
73.02951	6.3
74.02502	0.2
75.00882	0.6
78.95921	0.7
81.03473	0.5
83.01395	4.4
83.01863	0.3
83.05053	0.3
84.01725	0.2
85.02960	13.0
86.00120	0.6
86.03312	0.3
87.00885	2.4
87.04530	0.3
88.98792	0.2
89.02457	2.5
95.01403	2.4
97.02972	1.7
97.06616	0.2
98.19821	0.4
99.00896	2.5
99.81315	0.2
101.02455	12.9
102.02812	0.4
106.06633	0.2
109.03020	0.2
111.00887	1.9
111.08179	0.6
112.01692	1.1
113.02464	9.6
113.09721	0.3
114.02814	0.3
115.00397	0.7
115.04027	0.5
116.77639	0.2
119.03532	0.6
120.01293	0.4
123.08221	0.2
124.01685	0.6
125.02481	1.9
125.09772	0.3
127.11330	1.7
129.01993	0.8
130.08829	0.2
131.03580	0.3
133.01456	0.4
135.04565	0.3
137.09744	2.7
139.11314	0.2
141.01999	0.3
143.03513	2.3
153.12892	1.4
155.10802	5.1
157.12372	2.4
158.12727	0.2
159.03027	1.1
161.04568	1.9
169.12383	0.4
171.13916	0.4
173.11816	0.5
175.02466	0.5
179.05579	0.3
181.50044	0.2
183.13962	0.7
186.12607	0.3
187.13333	0.3
197.15428	0.2
201.14960	5.5
202.15434	0.4
217.14418	0.4
229.14449	1.5
230.15242	2.8
231.16066	0.4
283.22943	0.2
295.22986	0.4
301.16583	0.5
302.22116	0.2
311.25974	0.3
313.23935	0.4
323.25717	0.2
329.26999	0.5
330.16867	0.3
335.17252	0.5
341.27014	1.4
342.27179	0.3
357.26434	1.1
359.28043	15.7
360.28323	1.9
383.28217	0.3
386.19986	0.2
401.29272	0.4
413.29041	0.7
433.27911	0.6
455.30066	1.1
456.30557	0.2
459.29669	0.5
467.30191	0.5
473.31305	1.1
485.31134	1.0
501.30530	0.4
503.32224	100.0
504.32590	17.9
521.33264	32.4
522.33667	5.6
545.33282	1.8
546.33716	0.4
563.25330	0.2
563.34802	4.3
564.35547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03451	2.9
58.00595	1.0
59.01381	100.0
59.36172	0.3
60.01712	1.4
61.01806	0.3
61.98833	88.4
68.99838	0.3
69.03468	1.3
69.45795	1.9
69.46203	0.4
71.01388	26.4
71.05030	0.9
72.01723	0.6
72.99306	1.4
73.02951	7.7
75.00884	0.5
78.95933	0.9
81.03466	0.5
83.01395	5.5
83.05044	0.2
85.02962	12.4
85.06600	0.3
86.00101	0.7
86.03322	0.3
87.00893	2.3
87.04518	1.5
88.98806	0.4
89.01911	0.5
89.02457	7.6
89.39119	0.2
90.02791	1.0
91.02882	0.6
95.01401	2.2
97.02413	0.2
97.02952	1.3
97.06572	0.2
98.20629	0.5
99.00900	3.1
101.02458	17.1
102.02791	0.6
109.06580	0.3
111.00887	1.5
111.08186	0.6
112.01714	0.6
113.02470	12.6
114.02815	0.3
115.00409	0.8
115.04047	0.3
116.92892	0.4
119.03520	1.5
120.01260	1.4
121.10249	0.6
123.00877	0.2
123.08098	0.2
124.01699	0.8
125.02466	2.0
125.09772	0.3
127.11317	0.7
129.01945	0.8
131.03494	1.3
132.03848	0.3
135.04646	0.3
137.09741	1.7
139.00475	0.3
139.11356	0.2
141.01910	0.5
141.12903	0.4
143.03513	2.0
143.39694	0.2
149.04562	3.5
150.04912	0.9
151.05032	1.0
151.72449	0.3
153.12891	0.7
154.99837	0.3
155.10812	2.1
157.12364	1.1
159.03050	1.4
161.04581	3.9
163.48773	0.2
167.10860	0.3
169.12413	0.3
171.13937	0.5
173.11838	0.9
175.02538	0.6
179.05690	0.6
183.13904	0.6
186.12683	0.3
191.05688	0.5
201.14957	3.0
229.14420	0.5
230.15240	0.8
251.20192	2.7
253.21646	0.5
265.21710	0.3
271.22726	0.3
277.21793	0.6
281.19061	0.4
295.22800	1.1
313.23792	0.7
327.25449	1.2
329.26987	0.4
341.26892	1.8
345.19095	0.3
357.26343	0.4
359.28021	10.6
360.28293	1.6
374.19553	0.3
383.28091	0.4
403.07803	0.3
455.30194	0.6
459.29593	0.7
467.29907	0.4
470.13248	0.4
473.31198	0.8
485.31210	2.4
501.31018	0.3
503.32227	93.4
504.32596	15.3
521.33295	25.2
522.33636	4.1
545.33209	0.9
563.35272	3.3
564.26300	0.7
564.34186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03445	1.9
58.00602	3.7
59.01379	88.7
60.01707	0.9
61.98836	9.1
70.17236	2.6
71.01386	65.2
72.01730	1.1
72.99313	2.9
73.02954	14.5
83.01405	3.0
85.02962	10.8
87.00892	3.3
88.98803	2.1
89.02454	100.0
90.02781	1.9
95.01385	0.7
97.02958	0.6
99.00894	1.3
101.02456	46.5
102.02789	0.9
111.00955	0.8
113.02464	13.5
114.03908	0.5
115.00399	2.2
119.03526	7.6
119.04945	0.5
121.02963	0.7
122.03716	0.5
125.02507	2.7
126.26392	0.6
131.03525	32.2
132.03850	0.6
133.01421	2.1
135.04535	1.7
137.02441	0.6
143.03529	2.5
149.04576	93.7
150.04900	2.1
158.03908	0.6
159.04517	1.3
160.05348	3.0
161.04553	3.9
161.05949	1.2
163.04053	0.7
173.06111	0.6
175.02400	1.5
175.07677	3.6
177.05605	0.8
178.06372	0.6
179.03535	1.2
179.05585	0.9
191.05641	13.7
205.03505	0.6
205.08720	0.6
221.06616	0.8
223.04482	0.6
231.19550	0.5
251.07681	2.0
256.94189	0.5
281.08832	1.4
287.14944	1.0
293.08679	1.2
311.09897	4.1
312.10049	0.8
329.13934	11.0
330.14291	1.3
341.13803	1.9
359.15112	1.0
383.70547	0.5
405.17276	0.6
405.24942	0.9
447.16193	0.6
473.17917	0.8
500.30505	0.9
503.18512	0.8
503.24747	1.5
519.24396	1.8
526.40710	0.5
563.19397	0.7
563.27112	2.3
564.25397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29859	0.5
55.01886	1.5
57.03455	1.9
58.00595	3.2
59.01379	100.0
60.01709	1.3
61.98833	31.5
69.03441	1.2
69.56200	4.7
71.01387	76.1
72.01718	1.8
72.39959	0.6
72.99306	3.8
73.02953	14.8
74.02480	0.8
83.01395	3.7
85.02958	14.9
87.00898	3.7
88.98822	2.2
89.02452	98.5
89.33853	0.6
90.02788	2.3
91.16914	0.6
93.03427	0.6
95.01406	1.6
96.96024	1.6
97.02957	1.4
99.00887	1.8
99.04512	0.7
101.02456	48.8
102.02801	1.5
113.02473	18.4
114.02726	0.6
115.00376	2.6
119.03522	11.6
121.02953	0.9
125.02485	2.8
129.99651	0.6
131.03523	30.5
132.03821	0.7
133.01428	1.9
134.03766	1.0
135.04558	2.3
136.01692	1.7
143.03505	2.7
147.04361	0.6
149.04575	92.0
150.04907	2.6
151.04022	1.7
152.04393	0.7
161.04578	5.5
163.03979	0.9
164.04773	1.3
172.10863	0.7
175.02481	1.9
179.03532	1.3
179.05608	7.7
179.07121	2.0
191.05614	14.9
192.05968	0.8
193.05017	0.8
219.12550	0.7
223.06091	1.8
251.07587	2.3
255.03018	1.0
275.07614	0.6
281.08701	1.3
284.03217	1.9
285.03882	0.6
293.08719	2.3
311.09854	4.5
315.05295	0.6
323.79968	0.6
325.21783	0.6
357.13419	0.7
359.13855	1.2
371.20624	0.9
443.22641	0.9
447.15674	0.7
462.23947	0.6
474.17770	0.7
503.24985	24.8
503.31903	1.4
504.25385	4.0
519.24316	1.2
563.30939	5.0
564.29382	0.9
589.91919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
56.15044	0.4
56.47388	0.5
57.03469	0.9
58.00593	4.0
59.01381	76.6
60.01727	1.0
60.99313	0.7
64.95246	4.0
71.01386	44.6
71.72208	0.8
72.99313	6.8
73.02956	3.1
74.02462	0.6
75.00873	2.2
78.95902	1.5
83.01395	1.7
85.02946	5.5
87.00887	12.2
88.04060	0.7
88.98828	1.3
89.02454	100.0
90.02776	1.9
93.26873	0.5
95.01394	1.2
96.96030	2.2
96.96995	0.6
97.02923	0.6
99.00903	6.0
99.05591	0.7
101.02464	11.5
102.02776	0.5
110.07233	0.5
111.00908	2.9
113.02464	10.2
115.00393	3.8
117.01955	45.1
118.02295	1.1
119.03495	3.4
125.02436	1.1
128.03563	1.1
129.01949	4.2
131.03497	2.1
133.01457	10.7
134.04744	0.8
135.03020	11.2
135.04512	2.9
138.03195	0.8
143.03476	2.2
143.04559	0.7
145.01427	2.4
147.03004	0.6
149.04527	2.2
150.03149	1.0
150.21648	0.5
153.05551	2.4
161.00943	19.6
161.02335	1.1
161.04572	3.8
162.01250	0.8
164.04788	1.5
173.00906	1.1
176.04828	1.4
177.01765	0.7
177.04231	2.9
177.05522	1.1
179.03517	4.4
179.05573	12.3
179.07108	4.1
181.05009	0.7
191.01857	0.9
194.05898	3.6
203.01802	0.7
209.08215	5.6
220.08223	0.9
221.00583	2.0
221.02998	11.3
221.06523	5.8
222.07741	1.2
235.05986	0.6
247.24664	0.6
263.07498	0.6
264.06375	0.7
265.07175	6.2
287.84753	0.5
306.07599	1.2
323.09741	2.7
341.10950	4.3
401.11102	0.6
427.12366	3.0
428.12955	0.9
503.16153	43.8
504.16556	4.9
529.15759	0.6
563.16144	15.2
564.15918	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	563.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80873	0.7
55.01892	1.1
56.99784	0.8
58.00591	3.1
59.01379	79.0
60.01716	1.1
70.85623	1.7
71.01388	28.9
72.99313	5.9
73.02950	2.5
75.00880	1.7
75.69870	0.8
78.95860	0.7
85.02974	3.5
86.94149	0.7
87.00879	3.8
89.02454	100.0
90.02789	2.2
99.00890	5.7
101.02514	1.8
105.01953	1.2
111.00919	0.8
113.02481	1.2
115.00392	3.6
117.01955	76.5
118.02302	1.6
127.00346	0.9
129.01938	1.5
133.01463	4.5
135.03020	10.9
135.04605	1.1
145.01440	2.6
149.04568	3.0
153.05635	0.9
161.00934	11.9
161.04559	1.0
163.04045	0.7
173.00964	1.2
175.02502	2.6
177.04234	1.5
179.03397	0.9
179.05666	1.2
194.05806	1.1
209.03072	1.9
209.08131	0.9
221.03017	14.9
221.04939	1.5
221.06573	1.1
223.04538	2.0
225.04921	1.5
276.51355	0.9
277.07178	1.5
336.06961	0.9
337.09293	1.3
341.10995	2.7
391.79340	0.8
503.16360	1.9
563.15704	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	563.1411
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
51.47054	0.3
59.01382	13.2
60.99311	0.4
61.98833	16.6
65.00349	0.6
70.59531	0.3
73.02980	0.8
74.02503	0.7
75.00892	0.4
81.47475	0.3
81.79990	0.3
83.01421	0.9
85.02992	1.1
87.00436	0.3
87.00922	1.2
88.98830	3.4
89.02452	4.0
89.02916	0.3
93.03522	0.4
98.20650	0.8
101.02471	2.5
107.01388	1.4
113.02468	0.6
115.00395	3.2
119.03556	0.7
121.03014	0.7
123.04591	0.3
125.02483	0.3
131.03529	1.1
132.02216	0.9
133.01463	0.3
134.03815	0.3
135.00949	0.8
135.03040	0.6
135.04558	1.0
139.00417	0.5
147.04543	0.7
149.04590	3.2
150.03265	1.1
150.85652	0.3
151.00372	2.3
157.01451	1.0
158.03821	0.5
159.04483	1.6
160.05298	4.2
161.06087	1.7
163.00415	1.2
163.04054	0.8
164.01134	0.5
164.04808	0.7
173.06100	0.5
175.02493	3.3
175.07661	4.8
176.08112	0.7
177.05586	1.3
178.06406	1.2
178.99890	0.7
179.03520	0.9
185.06068	0.3
187.03958	0.5
192.07790	0.3
199.03979	0.4
200.04831	0.8
209.11818	1.1
211.04030	1.3
214.31712	0.3
225.14912	0.8
227.03505	34.4
227.12833	3.3
228.03867	2.6
229.04997	1.2
230.30362	0.3
239.03429	0.8
255.02975	66.5
256.03473	8.5
257.04498	1.2
269.13864	0.7
279.95084	0.3
283.02405	1.1
284.03253	100.0
285.03809	17.7
286.04404	0.9
287.15051	3.1
329.13937	16.5
330.14197	1.5
359.14859	0.7
399.07196	1.4
401.15558	0.4
405.17780	1.6
417.07901	0.5
438.86908	0.3
445.17035	2.0
503.24838	0.9
519.24664	0.5
520.27386	0.5
563.13806	75.6
564.14148	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07550	0.9
57.64498	1.0
61.14229	0.9
61.98822	3.1
62.94142	1.0
70.00945	5.3
71.01392	10.2
72.99311	1.7
78.95895	1.3
82.92790	1.0
87.00906	1.0
88.98812	1.1
89.02425	1.1
96.96009	4.2
96.96997	1.0
102.48194	1.1
115.00390	27.0
116.00722	1.3
124.98835	1.0
133.01451	100.0
134.01758	2.8
134.03741	2.2
135.04539	26.2
136.04895	1.4
179.03510	28.8
197.09348	0.9
295.04547	3.1
325.47409	1.1
337.05719	1.0
398.40295	1.0
399.45328	1.1
481.10605	1.3
582.24194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
59.01375	21.9
61.98830	5.9
70.02985	1.5
71.01386	25.7
72.99308	1.5
73.02956	9.3
73.04070	2.4
74.02470	2.8
81.02194	1.5
81.54377	1.0
82.02995	4.6
83.01406	3.4
83.02515	19.2
84.00911	8.6
85.02966	7.8
87.00873	2.6
88.04047	1.7
89.02457	7.8
93.03497	1.0
96.00915	9.4
98.02496	12.2
99.05654	1.8
101.02452	10.4
102.40163	1.1
108.02162	1.0
109.04096	2.4
110.02481	9.2
111.05614	1.5
112.04044	5.8
113.02496	6.6
113.03609	1.3
115.00388	11.3
115.08780	10.8
116.00754	1.8
119.03513	3.3
119.05045	5.8
120.01280	3.3
120.05410	2.1
124.02764	2.6
127.05151	2.3
128.03568	2.3
130.08754	37.6
131.03554	2.1
133.01442	10.4
134.01808	1.8
135.01962	1.1
135.04510	2.5
138.09253	19.2
139.09654	1.2
140.07164	1.6
141.10355	1.6
145.09911	1.3
147.05966	4.0
149.04562	1.8
149.06116	1.8
152.07162	3.3
153.03076	1.9
153.10309	2.2
154.01434	1.3
154.99838	1.3
160.05333	1.5
161.04567	4.4
163.03995	6.1
164.04376	2.2
164.75571	1.0
166.08698	2.2
169.09836	12.0
174.01747	1.9
175.02553	5.4
175.77231	1.4
177.10454	2.6
179.05675	1.9
179.11913	4.1
180.05435	2.8
181.09818	17.2
187.10944	3.0
189.05582	1.7
189.10341	2.4
191.11913	2.8
196.06136	2.4
198.12485	10.0
199.10936	2.2
205.09776	4.8
217.09886	1.2
223.04497	1.8
223.10864	11.4
235.10851	1.6
246.12776	16.5
267.09833	65.0
268.10120	3.6
277.11957	2.2
279.09708	5.7
284.09967	1.7
285.11026	1.4
297.10889	49.4
298.11194	2.8
327.08765	1.9
328.09048	2.4
329.09268	1.3
330.09442	1.4
341.13913	5.3
368.18149	1.2
373.08862	1.2
377.57080	1.3
383.14008	2.1
401.14499	1.7
503.19037	3.1
514.23224	4.8
515.23651	1.2
518.25598	1.4
519.24646	1.5
544.24365	100.0
545.24701	17.0
562.25568	23.5
563.27112	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	561.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52952	0.7
55.01874	1.8
56.89343	0.7
57.03452	2.5
58.00588	3.3
59.01380	90.0
59.34365	0.7
60.01706	1.2
60.99295	2.1
61.98837	5.2
69.82288	3.4
69.82690	1.5
71.01388	63.6
72.01720	1.2
72.99319	3.2
73.02958	11.7
74.02468	0.8
83.01400	4.7
85.02966	9.3
87.00877	3.6
88.98820	10.6
89.02454	100.0
90.02790	2.0
97.02979	1.4
99.00877	2.0
99.04527	0.9
101.02458	50.7
102.02788	1.2
113.02470	13.0
115.00384	4.5
115.97899	0.7
118.72977	0.6
119.03503	8.1
119.05041	2.2
125.02474	2.7
131.03525	30.6
133.01442	3.2
135.02948	0.9
135.04573	0.9
137.38271	0.8
143.03467	1.1
149.04573	91.9
150.04904	2.3
154.99922	2.7
157.01462	0.9
161.04536	3.7
163.04007	1.2
175.02495	3.5
191.05624	15.0
192.06052	0.9
214.77637	0.7
221.06569	0.9
227.12936	2.8
239.10753	1.0
241.09721	1.0
251.07808	1.4
266.14746	0.9
275.07629	0.8
281.08685	1.4
283.10818	2.9
287.15060	5.5
288.15396	0.7
293.08807	2.1
309.08841	0.9
310.11667	0.8
311.09982	4.0
327.09454	1.2
371.08859	1.3
405.17563	6.5
421.20587	0.7
456.54953	0.7
469.23053	0.8
485.12143	0.9
529.10834	6.7
561.26508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78497	0.5
55.01886	1.1
57.03447	1.5
58.00595	3.3
59.01379	92.6
60.01713	1.7
61.98836	5.7
71.01389	63.8
71.04707	1.1
71.05077	1.2
72.01734	0.9
72.99319	3.1
73.02953	11.1
83.01399	3.0
85.02959	10.4
87.00890	2.6
89.02454	96.1
90.02783	0.9
95.01382	1.6
97.02971	0.9
99.00882	1.8
101.02457	47.1
102.02815	1.1
104.64202	0.5
113.02464	14.4
115.00362	1.0
119.03520	7.7
125.02479	2.9
131.03522	29.9
140.59731	0.5
143.03542	3.1
149.04573	100.0
150.04918	4.2
154.34891	0.6
161.04585	5.1
163.04024	0.6
175.02473	0.9
179.05646	1.0
191.05634	14.5
225.65013	0.7
251.07703	1.9
275.07809	0.9
281.08737	1.2
293.08743	2.7
311.09845	7.4
312.10327	0.7
357.26459	1.8
501.23328	2.9
501.30609	10.8
502.24026	0.9
502.30954	2.5
519.31805	4.9
561.32758	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	561.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19261	0.6
55.01883	1.6
55.14483	0.7
57.03449	2.2
58.00598	3.7
59.01378	94.8
60.01714	1.5
60.99318	2.9
61.17542	0.5
61.98831	7.1
69.03458	0.7
69.58936	3.0
69.59364	2.3
69.66772	0.6
71.01385	70.1
72.01715	1.0
72.99314	3.8
73.02956	12.8
73.46613	0.6
75.00887	1.1
83.01411	3.2
85.02956	12.2
87.00888	3.1
88.98252	1.0
88.98817	21.0
89.02451	100.0
90.02773	1.8
97.02980	0.9
99.00886	1.2
99.04530	0.5
101.02455	57.3
102.02796	0.7
107.51454	0.6
108.08228	5.4
113.02463	14.0
115.00391	2.4
115.04009	0.8
116.92823	0.6
119.03510	9.1
119.04997	1.2
125.02458	2.0
128.03568	0.8
131.03519	33.6
132.03853	0.8
133.01430	2.4
137.09792	1.3
143.03522	2.4
149.04575	91.7
150.04871	3.2
152.07198	4.5
154.99899	1.8
161.04582	4.2
166.08720	2.1
174.01645	0.8
175.02493	2.6
181.04091	0.6
191.05627	15.2
196.06157	3.1
206.04343	0.6
227.12764	1.6
251.07713	1.6
281.08691	1.2
287.14957	2.5
293.08694	2.6
297.07608	0.6
311.09833	4.7
312.09979	1.2
327.12292	1.5
339.12531	1.4
357.93832	0.6
358.11108	1.4
367.17554	0.7
400.12357	3.1
405.17453	3.3
490.78979	0.7
561.24860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03453	2.2
58.00599	3.1
59.01379	78.4
60.01711	1.1
61.18802	0.4
61.98833	2.3
62.26735	0.4
69.03450	0.9
69.44852	1.2
69.45266	4.4
71.01385	60.9
72.01728	1.3
72.99303	3.2
73.02541	0.6
73.02953	9.9
75.00845	0.5
83.00970	0.5
83.01387	2.9
85.02957	10.7
87.00887	2.3
88.04044	2.4
88.98814	3.7
89.02451	98.5
90.02810	1.6
95.01403	0.8
96.00934	1.9
97.02955	0.7
98.02506	0.7
99.00902	1.5
99.04506	0.5
101.02454	49.1
102.02782	1.1
113.02467	13.2
113.03619	1.2
115.00401	1.3
119.03504	7.4
119.04967	0.6
122.46841	0.5
125.02480	2.1
128.10878	0.4
131.03520	31.2
132.03859	1.3
133.01431	2.3
137.09746	4.5
143.03534	2.4
149.04572	100.0
150.04854	2.8
161.04549	3.8
163.04027	0.5
179.05605	0.9
191.05624	15.3
192.06073	0.8
196.50369	0.4
221.06575	1.0
251.07826	1.5
281.08875	1.5
293.08722	2.2
311.09821	5.2
388.56308	0.5
501.30786	0.6
527.24823	3.5
544.27478	1.1
561.25153	0.5
562.28125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40931	0.6
59.01367	1.6
60.88525	0.7
61.98831	71.0
70.46439	2.6
73.56969	0.6
78.95910	10.5
83.68355	0.6
140.01183	2.8
150.62109	0.7
152.99608	1.9
171.00690	1.1
188.94531	0.8
196.03802	1.6
214.04842	2.7
255.87909	0.7
279.23288	100.0
280.23669	11.4
354.41403	0.7
364.21127	3.9
476.27814	33.0
477.28305	5.4
561.25659	27.8
562.25928	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	561.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08270	0.6
55.01876	1.8
57.03436	1.8
58.00595	3.4
59.01377	97.8
60.01709	2.1
60.99303	10.4
61.98834	3.7
69.03452	0.8
71.01385	76.0
71.49825	1.6
72.01726	1.8
72.99323	3.6
73.02950	15.5
75.00882	1.7
75.48103	0.6
83.01396	4.5
85.02957	12.8
87.00877	4.4
88.98814	66.4
89.02448	100.0
89.99119	0.8
90.02800	1.7
95.01363	0.8
97.02930	1.4
99.00907	2.2
101.02451	57.2
102.05586	1.4
102.84061	0.7
108.08174	2.4
113.02464	14.6
114.02764	0.8
115.00391	4.6
115.04032	0.9
115.56797	0.6
119.03518	9.3
119.05007	0.7
122.06095	0.7
125.02435	1.5
125.14182	0.8
127.05142	0.6
128.03535	2.7
131.03519	34.8
133.01445	2.4
143.03499	3.0
143.04527	0.7
149.04570	88.2
150.04889	2.5
152.07176	2.7
153.09218	0.8
154.99870	1.3
161.04582	6.1
174.01700	0.8
175.02473	6.4
180.10291	2.3
190.05194	1.1
191.05626	15.1
196.06189	0.7
203.05717	0.8
205.12329	2.0
221.06682	1.3
223.10802	0.8
224.84395	0.7
227.12840	0.7
241.09683	0.9
241.11877	1.3
251.07593	0.7
253.06421	0.7
275.07678	0.9
281.08823	2.0
283.10907	5.5
284.11374	1.1
284.14624	0.8
287.15057	1.4
293.08768	2.4
309.08731	2.8
311.09872	4.0
327.09741	3.0
328.09482	0.9
329.09708	0.7
341.11191	1.2
353.07794	1.5
367.17599	2.2
371.08682	2.8
385.18625	2.1
386.18845	0.9
403.11215	2.2
405.17386	1.8
427.19708	7.3
428.20078	1.3
432.17865	1.4
439.76083	0.6
485.12009	1.9
517.22876	3.8
529.11163	5.7
530.10901	1.0
561.23053	4.4
562.17053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72678	1.2
61.98837	3.3
71.01389	14.6
71.71819	1.5
71.72308	1.7
72.99313	2.0
73.78989	1.2
78.95907	1.4
85.02964	1.2
89.02460	1.7
93.03468	4.8
96.96028	3.9
115.00388	32.2
116.00744	1.4
117.00831	1.3
119.05057	6.8
120.05392	1.7
128.03571	2.0
133.01450	100.0
134.01776	5.5
134.03752	3.3
135.01843	2.8
135.04530	24.6
136.04849	1.9
142.88774	1.1
143.05014	2.2
149.06052	4.1
151.22195	1.0
163.04030	4.5
179.03500	26.9
179.04930	2.4
180.03828	1.5
183.78737	1.1
191.07094	1.7
196.06049	1.3
238.09496	1.9
267.09143	1.5
283.09720	1.8
284.10074	1.7
295.04596	3.9
327.08804	15.0
328.09039	14.8
329.09268	21.2
346.16318	1.2
403.12793	1.3
427.12625	1.7
487.67941	1.4
561.26080	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	559.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.3
61.98825	1.6
71.01381	4.3
71.39607	0.4
71.65488	0.7
73.02938	0.7
74.68694	0.5
85.02965	0.9
89.02449	3.2
96.96040	0.7
99.05581	0.5
101.02459	3.3
103.38974	0.5
113.02460	1.3
115.00381	0.9
119.03535	0.6
119.05013	1.2
133.01457	0.7
161.04561	0.8
163.04042	0.8
193.54764	0.5
235.08195	1.8
253.09274	14.9
254.09656	1.0
263.20142	100.0
264.20468	10.2
327.08737	5.2
328.08987	1.0
490.06125	0.5
559.36658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03443	1.0
58.00591	0.8
59.01380	37.0
60.23381	0.5
60.99307	16.3
61.98834	1.4
69.03467	0.4
71.01387	20.2
71.72590	0.7
72.99329	0.8
73.02950	9.6
75.00851	0.5
78.01881	0.4
83.01389	3.6
85.02963	3.8
87.00877	2.4
88.98815	100.0
89.02452	20.8
89.99149	1.3
95.01388	0.5
101.02455	17.3
102.02745	0.6
106.06670	0.6
108.08196	1.4
113.02460	6.1
115.00386	2.5
118.37627	0.4
119.03507	3.5
119.05054	0.7
131.03523	6.2
133.01416	1.2
143.03502	1.4
149.04578	17.8
152.07202	1.7
153.09239	1.4
154.99954	1.0
161.04532	5.0
163.04034	0.7
175.02509	4.9
190.05034	1.1
191.05655	2.5
205.12383	3.1
221.06676	1.5
223.13310	0.7
224.09464	0.5
227.12967	0.6
239.11954	0.9
253.06329	0.6
281.09061	0.9
283.10831	2.5
287.14981	1.1
309.08646	0.8
327.09692	1.0
341.11267	1.1
359.12473	1.5
367.17737	2.9
371.08823	0.5
385.18604	2.7
403.11520	3.7
405.17831	1.2
427.19727	11.9
428.20029	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	559.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83913	0.7
55.01894	0.8
57.03441	1.8
58.00584	1.5
59.01381	66.1
61.01788	0.9
61.98827	10.9
69.03436	1.1
69.42442	8.3
71.01389	33.4
71.05037	1.1
72.01716	0.9
72.99302	1.9
73.02957	18.0
74.02470	0.8
78.95915	1.0
83.01402	6.7
83.05048	1.1
85.02953	8.0
85.06597	0.9
87.00879	2.7
89.02454	10.7
93.03474	2.4
96.96038	1.0
97.02973	0.8
99.00890	1.7
99.04511	0.8
101.02453	20.6
113.02460	9.4
115.00378	4.2
115.04041	5.4
119.03496	3.0
119.05007	4.3
131.03535	1.9
133.01460	6.6
143.03481	1.3
143.05028	1.0
161.04553	2.0
163.04005	3.0
165.31425	0.8
166.51253	0.7
166.62605	0.8
171.10226	1.7
237.09157	1.5
239.16481	1.1
265.08588	2.3
271.67444	0.9
283.09848	1.4
293.21225	9.4
310.15720	0.9
311.22266	3.2
327.08749	17.2
328.09131	2.3
348.22656	0.9
355.24655	1.9
398.16241	0.8
433.37628	0.8
455.26453	5.8
473.27637	12.0
474.27829	2.2
499.29285	3.8
515.28583	100.0
516.28961	16.4
517.30133	3.3
541.30176	1.3
559.31281	12.1
560.31757	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	559.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
57.38543	0.4
58.00602	0.6
59.01381	100.0
60.01718	1.4
61.98834	4.6
69.03476	0.9
70.46094	0.4
71.00990	0.9
71.01385	17.8
71.71760	0.4
71.72231	0.7
72.99325	1.4
73.02952	11.5
83.01405	3.3
85.02956	4.0
87.00896	1.3
89.02464	5.6
93.03489	0.6
95.01405	1.0
96.96033	1.0
97.02983	0.5
97.46984	0.4
99.00912	1.1
101.02454	12.7
101.03078	0.9
113.02473	5.0
115.00404	1.3
119.03532	2.6
119.04990	2.4
120.00227	0.4
125.02461	0.5
131.03557	0.6
133.01454	2.8
135.40883	0.4
137.09764	0.5
143.03529	0.9
161.04582	1.3
163.04025	1.8
221.06644	0.4
239.10712	0.7
265.08688	1.4
275.20218	0.4
283.09805	0.7
293.21249	2.4
295.42709	0.5
327.08759	9.0
328.09067	1.6
337.23810	0.4
355.24930	0.7
413.25598	0.5
455.26547	2.0
473.27414	3.7
474.28268	0.9
497.27649	4.5
498.27899	0.9
499.28906	1.0
515.28595	87.5
516.28918	16.1
516.36713	0.5
517.30347	1.1
559.31549	4.6
560.31567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
70.53117	0.2
71.01387	5.2
71.01985	0.6
72.01794	0.2
72.99295	0.3
75.22668	0.2
89.02443	0.4
93.03471	18.1
94.03802	0.6
96.99320	3.6
102.11311	0.2
106.04238	0.3
109.27175	0.2
115.00391	6.4
117.03457	1.1
119.05047	12.5
120.05342	0.6
121.02917	0.4
123.04523	1.5
130.04248	0.8
131.05064	3.7
133.01456	6.3
133.02969	3.6
141.22121	0.2
143.05049	15.6
144.05377	0.9
145.02969	1.9
145.06607	0.7
147.04536	0.5
158.03719	0.3
159.04514	0.8
163.04037	8.2
164.04340	0.4
171.04538	1.9
189.90469	0.2
203.03557	0.4
207.27483	0.3
210.06712	0.2
211.07655	4.9
212.08034	0.5
219.08150	0.8
221.09769	1.4
222.06873	0.3
222.10104	0.3
223.07616	0.6
230.48697	0.2
235.07607	3.2
236.08145	0.7
237.09224	5.6
238.09540	0.4
239.10789	0.7
247.07695	0.5
263.07104	0.5
264.07697	0.3
265.08682	20.6
266.09009	2.4
281.08188	0.4
283.09717	0.8
309.07654	6.2
310.08127	0.7
327.08740	100.0
328.09091	11.9
443.09717	1.4
444.10065	0.3
579.51300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26581	0.1
59.01380	0.2
61.98832	100.0
62.98542	0.2
62.99253	0.1
69.49596	0.5
78.95923	0.5
98.19913	0.2
106.98653	0.1
152.99638	0.3
224.06886	0.1
255.23288	1.4
256.23618	0.6
257.24026	0.3
258.24258	0.2
409.23581	0.1
429.49454	0.1
480.30966	1.1
481.31601	0.3
482.31982	0.2
483.31955	0.3
557.32623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
61.98831	100.0
62.98553	0.1
70.14604	0.8
78.95921	0.5
79.50623	0.2
109.49860	0.2
152.99619	0.5
158.45857	0.2
167.01161	0.3
255.23340	2.0
256.23721	0.7
257.23926	0.2
285.88116	0.2
480.30780	0.8
481.31302	0.3
483.32294	0.3
532.84564	0.2
541.15417	0.2
557.32397	0.7
570.97620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.11
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80692	2.7
71.01382	17.4
72.01712	0.5
72.99315	2.7
87.00864	0.5
89.02475	1.0
93.03468	2.9
96.99318	0.5
115.00388	37.4
116.00742	0.9
117.03487	0.4
119.05042	20.6
120.05408	0.7
133.01448	100.0
134.01799	2.7
143.05063	2.0
145.06598	1.3
156.56299	0.4
163.04028	16.4
163.05402	0.8
164.04335	0.7
175.02504	0.6
176.04805	0.4
195.04462	0.6
197.06068	0.5
211.07590	0.8
217.59538	0.4
221.09755	0.5
223.07767	0.7
235.07635	0.7
237.09232	5.9
238.09671	0.7
239.10732	3.3
240.11154	0.4
240.59340	0.4
265.08667	2.2
279.05118	1.6
281.23163	0.4
283.09775	12.4
284.10214	1.3
309.07809	0.9
327.08740	78.7
328.09091	8.6
443.09686	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89481	0.1
59.01380	100.0
60.01714	1.3
61.98841	1.0
68.34963	0.1
69.70220	0.7
69.70636	0.3
71.01389	2.7
71.05030	0.3
73.02973	0.3
75.39152	0.1
77.16270	0.1
85.02972	0.2
89.06133	0.1
101.02464	0.3
113.02510	0.2
121.03013	0.4
134.03755	0.2
139.58835	0.1
153.68385	0.1
160.02730	0.1
221.08212	1.7
222.08481	0.1
381.11877	0.8
423.13135	0.5
447.99335	0.1
513.27216	0.3
557.30322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37172	0.5
51.97895	0.5
58.00602	1.2
59.01377	100.0
60.01718	0.9
61.98826	8.3
67.74660	0.5
69.03468	0.5
69.38670	6.2
71.01386	16.8
72.99304	0.9
73.02948	13.2
73.03337	0.8
73.42428	0.6
83.01399	3.9
85.02958	3.1
87.00897	1.3
89.02464	5.8
96.55733	0.8
96.96029	1.2
97.06606	0.8
99.00899	0.7
99.57845	0.5
101.02453	11.8
110.29266	0.5
113.02456	4.9
119.03545	1.8
125.02434	0.6
131.03575	1.1
159.22536	0.5
161.04668	1.2
162.05624	0.7
171.10287	0.7
183.76233	0.6
291.19638	7.5
292.20074	0.7
353.23602	2.0
433.03473	0.7
453.25174	1.5
468.45670	0.6
471.25674	3.4
472.26666	0.6
495.26044	3.6
497.27246	1.1
513.27026	69.1
514.27338	11.0
515.28943	0.9
557.29724	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	557.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63847	0.6
55.01872	1.3
55.60336	0.6
58.00594	1.2
58.04648	0.5
59.01382	73.7
60.01704	0.7
61.98835	23.2
67.71344	0.6
69.03450	1.1
71.01389	34.9
71.05016	1.0
71.45053	1.0
72.99305	2.0
73.02958	25.1
74.10461	0.6
78.90005	0.6
83.01397	8.4
83.05019	1.0
85.02962	7.1
85.06581	0.8
87.00884	5.5
87.04537	0.8
89.02457	9.9
95.01402	1.2
96.96022	1.5
97.02939	1.3
97.16470	0.6
99.00874	1.2
99.04510	1.1
101.02454	23.5
105.39000	0.6
111.04523	0.8
111.08214	0.7
113.02470	8.8
115.00376	1.6
115.04028	8.4
119.03519	3.2
125.02480	1.1
129.05612	5.7
131.03496	1.0
132.04521	1.7
136.01442	0.5
143.03549	1.3
149.06091	2.3
154.99857	0.7
161.04593	1.9
161.13405	0.9
170.44012	0.6
175.14949	0.8
179.05676	0.9
203.05580	0.7
203.11923	0.7
239.16483	1.1
273.18484	0.9
291.19644	15.6
292.19919	1.8
293.21249	2.0
309.20709	2.5
335.22302	0.9
353.18698	2.7
353.23175	0.9
359.28012	1.8
399.23752	1.3
453.25027	3.8
471.25946	11.9
472.26575	1.8
497.27542	1.3
513.27032	100.0
514.27362	17.2
557.24878	1.8
557.31604	1.9
558.29474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51157	0.6
61.98833	100.0
70.01715	2.0
70.02123	2.4
70.72852	0.7
83.49363	0.7
96.81677	0.7
96.96025	2.2
117.70605	0.6
133.96805	0.8
160.48476	0.7
215.00714	0.8
227.73367	0.7
327.66364	0.8
557.31830	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	556.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.1
59.01381	2.7
59.21163	0.1
61.98832	100.0
62.98560	0.2
62.99247	0.1
69.37754	0.1
69.38158	1.1
71.01386	0.8
73.02957	0.4
74.23285	0.1
75.00865	0.1
82.55927	0.1
83.01403	0.3
83.05020	0.1
85.02972	0.4
87.00893	0.3
88.98812	0.1
89.02470	0.3
96.00946	0.2
96.03302	0.1
96.96035	0.3
98.20663	0.2
99.00929	0.1
101.02462	0.4
109.02934	0.1
112.15691	0.1
113.02472	0.3
113.69770	0.1
115.00423	0.3
119.03503	0.1
121.02950	0.1
127.04052	0.2
128.03598	0.1
129.10414	0.2
135.04576	0.2
143.03569	0.1
145.05095	0.2
154.99854	0.1
161.04613	0.2
175.02483	0.2
195.37276	0.1
204.60730	0.1
257.12881	0.1
282.01901	0.1
408.21463	0.4
449.34979	0.1
556.34558	0.1
557.30188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2851
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03432	0.3
59.01383	0.7
63.96237	1.3
68.50702	0.3
69.03463	0.7
71.01382	7.3
71.18938	0.3
71.19260	0.6
72.99306	0.3
73.02958	1.6
73.85109	0.3
77.90511	0.3
78.98598	5.8
79.95736	8.7
79.96181	0.6
80.96520	66.2
81.03464	0.8
83.01369	0.4
85.02964	2.6
87.00878	3.2
88.64102	0.3
94.98097	16.0
96.96021	0.9
97.02972	1.9
101.02458	2.4
106.98096	3.4
122.97601	3.2
125.02470	3.6
127.04086	1.0
134.97595	5.2
136.99181	1.6
148.99158	5.9
152.98651	5.6
164.98647	13.0
165.99010	0.3
167.00182	0.7
206.99710	2.9
225.00749	17.8
226.01096	0.7
243.42101	0.3
255.23259	2.3
256.23557	0.4
262.84937	0.3
292.10397	0.3
299.04388	3.8
555.28485	100.0
556.28821	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	554.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.4
61.29156	0.2
61.92029	0.1
61.98832	4.9
69.45422	1.2
69.45848	0.6
71.01389	0.2
78.95906	5.6
79.95732	0.2
80.96504	1.0
96.96022	0.3
107.91137	0.2
152.99649	1.1
153.47174	0.2
159.91556	0.1
168.04309	1.1
224.06923	0.7
226.50706	0.2
242.07993	2.1
243.08426	0.2
245.71863	0.2
255.23293	100.0
256.23642	9.9
279.23230	0.2
348.83533	0.2
480.30945	38.4
481.31302	6.3
504.31427	0.2
554.27142	1.3
555.27332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07502	0.3
52.49308	0.3
52.69129	0.3
55.22201	0.3
59.01379	24.3
59.99696	0.3
63.91731	0.3
65.16611	0.3
71.18822	0.8
78.95907	17.6
83.08704	0.3
85.38412	0.4
122.98509	0.4
152.99611	2.7
168.04314	3.0
172.00674	0.4
224.06935	9.1
233.98650	0.3
242.07916	1.7
255.23286	100.0
256.23633	10.1
480.30942	70.0
481.24283	0.7
481.31216	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	554.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90354	0.3
59.01362	1.0
61.82027	0.3
61.98827	5.8
66.03109	0.2
70.04714	0.7
70.05129	0.9
70.50395	0.2
71.01351	0.4
78.95908	22.6
80.34978	0.2
84.49963	0.3
96.97031	0.3
122.32602	0.3
124.07524	0.3
125.48161	0.3
134.98560	0.3
152.99622	3.1
168.04337	3.8
224.06932	8.9
225.07288	0.5
242.08009	2.6
279.23288	100.0
280.23627	11.7
302.62924	0.3
388.02533	0.3
504.30927	76.0
505.31271	13.9
505.37347	0.3
554.27167	0.8
555.27570	0.3
569.39630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98810	0.5
69.52347	1.6
73.29159	0.2
78.95914	6.3
78.96371	0.4
82.40045	0.2
112.94496	0.1
152.99609	1.1
168.04329	1.3
171.00591	0.2
224.06911	0.9
238.34673	0.2
242.07977	2.7
261.22177	0.4
279.23285	100.0
280.23639	11.7
393.61938	0.2
495.16678	0.2
504.30936	38.3
505.31256	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	554.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03433	4.1
57.49190	0.8
58.02972	1.3
59.01379	64.8
60.22945	0.9
61.98831	100.0
65.75703	1.0
69.03442	1.5
70.02960	1.1
71.01387	37.9
71.05018	2.4
71.72733	1.1
72.01769	1.2
72.99306	1.6
73.02956	29.0
74.02483	1.2
75.00893	1.1
79.95765	1.5
83.01393	8.9
85.02953	5.8
87.00883	5.7
88.98817	1.2
89.02458	7.9
94.81651	1.0
95.01410	1.9
96.96022	37.4
98.95592	4.8
99.00893	1.2
99.04523	3.7
99.92603	11.3
100.00382	1.3
101.02453	25.5
109.93406	1.2
111.00859	2.3
113.02469	12.1
115.00393	17.1
115.92088	5.6
119.03517	4.3
121.06625	1.0
122.06047	1.0
125.09740	40.2
125.92865	2.7
126.10052	2.2
127.05157	1.2
128.03571	2.9
131.03513	2.3
131.04619	1.4
132.90599	3.5
133.01398	6.9
135.04492	1.3
139.00409	5.2
140.00705	2.0
143.03503	3.1
143.10651	1.0
145.06279	1.3
149.04559	4.2
149.05766	1.0
151.11304	2.4
154.99881	2.9
157.01376	1.9
161.04587	11.3
165.05573	1.9
173.05678	1.2
175.02507	13.1
177.09155	1.2
203.05667	1.2
207.13913	2.3
208.05614	2.0
221.06628	3.0
225.14960	14.5
226.15111	1.2
230.05043	1.8
230.34778	1.1
231.05107	1.1
239.09268	1.2
273.68469	1.0
283.09698	1.3
307.08008	2.1
325.48465	1.2
325.99106	11.6
345.09567	1.3
349.09235	3.7
350.09525	7.3
381.16843	1.9
387.20303	13.1
388.20428	1.1
397.11426	8.4
399.13025	1.0
405.21118	2.4
447.22357	56.9
448.22794	8.3
450.28061	1.1
518.29803	2.8
553.32275	7.1
554.33020	7.8
555.13483	7.4
555.34912	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	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
61.98831	100.0
62.98534	0.2
65.79924	0.2
71.01416	0.3
78.95908	1.0
79.95724	0.2
80.96522	1.4
94.98102	0.4
96.96060	0.5
97.02970	0.2
98.19903	0.4
113.60680	0.2
124.23907	0.2
148.99168	0.2
152.99686	0.2
164.98650	0.6
191.65463	0.2
225.00813	0.3
253.21750	0.6
254.22147	0.7
255.22289	0.4
256.22754	0.2
552.31927	0.2
553.26361	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	553.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03458	1.6
58.00595	0.6
59.01380	100.0
60.01714	1.3
61.98833	37.1
69.03484	0.7
69.40137	5.6
71.01390	9.7
71.05029	1.0
72.99308	1.3
73.02938	3.9
75.00878	0.7
78.95914	1.5
83.01411	3.2
85.02960	3.8
87.00905	2.4
88.98820	1.2
89.02437	2.6
96.96014	0.8
96.96977	0.5
97.06629	0.7
98.02559	0.6
99.00893	1.0
101.02475	4.8
109.02976	1.2
109.06607	0.6
111.00890	0.9
112.98896	0.8
113.02466	3.2
115.00350	2.9
116.92917	0.6
119.03494	0.7
120.01266	0.7
125.02560	1.0
125.06089	0.7
125.09741	2.5
126.10081	0.5
129.02002	0.5
130.08798	0.7
133.01411	1.4
135.03217	0.5
135.04547	1.1
139.00421	0.6
143.03563	0.7
145.01468	1.6
149.99651	1.8
151.00359	0.7
154.99892	6.9
155.10754	0.7
157.01472	0.8
161.04637	1.1
164.31859	0.5
175.02527	2.5
186.12762	0.5
197.11882	1.4
199.09840	0.7
199.13460	3.1
237.14969	3.5
237.19827	1.6
238.18199	0.7
254.17577	8.3
255.18364	0.7
255.20895	1.6
256.19247	1.0
272.18726	2.8
283.14429	0.7
293.22534	0.9
295.24124	1.1
326.35049	0.5
367.26489	0.9
425.14307	1.1
425.30286	1.2
437.17349	0.7
445.09747	2.8
475.35614	0.9
491.25876	0.9
493.36444	68.5
494.36749	14.6
511.30017	2.1
553.30414	3.1
554.20020	0.6
554.30096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65648	0.2
59.01371	1.1
61.98827	1.7
71.73499	0.3
78.95913	7.7
85.91514	0.2
96.96035	0.4
96.97053	0.2
97.09193	0.2
152.99605	1.5
168.04335	1.6
224.06870	1.4
242.07979	3.3
259.20648	0.5
275.20120	0.6
277.21719	100.0
278.22076	10.7
309.35504	0.3
432.13016	0.2
468.77490	0.2
502.29379	43.6
503.29700	8.3
552.30164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33741	0.3
58.88591	0.4
59.01389	2.6
61.98835	2.1
62.98557	0.4
64.04694	0.4
64.84662	0.4
66.73834	0.4
70.77735	1.4
71.01386	0.5
78.95913	31.7
83.27684	0.4
86.60618	0.4
86.61171	0.4
96.96036	0.7
96.96942	0.7
122.98519	0.5
150.07732	0.4
152.98511	0.4
152.99619	4.2
168.04338	5.5
179.38910	0.4
192.64946	0.4
204.91312	0.4
211.20639	0.4
224.06937	12.1
225.07298	0.9
242.08022	3.4
242.29375	0.4
253.21791	1.7
259.20712	0.6
277.21722	100.0
278.22098	10.2
315.61374	0.4
478.29343	0.5
484.91623	0.5
502.29382	93.8
503.29724	18.0
552.30829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.4
59.01380	16.8
61.98835	2.1
67.28360	0.3
69.53493	1.4
69.53923	2.1
71.01381	2.7
73.02946	0.7
78.95915	0.9
83.01366	0.4
87.00879	0.7
89.02466	2.7
101.02455	2.5
102.70606	0.4
113.02462	1.5
114.21098	0.4
119.03487	0.4
133.05118	0.5
161.04610	1.0
172.26196	0.4
235.08264	3.2
253.09288	13.0
254.09497	0.4
255.23288	100.0
256.23624	9.8
323.73538	0.4
491.32233	1.3
517.36304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
59.12478	0.2
60.01698	0.2
61.98832	100.0
62.98536	0.2
70.03039	0.2
71.01400	2.0
71.73222	0.3
72.01736	0.2
73.02950	0.6
74.02491	0.3
78.95904	0.3
83.01408	0.4
85.02976	0.7
87.00906	0.3
88.98833	0.3
89.02453	1.4
93.03474	0.2
96.96049	0.2
101.02459	1.3
103.80167	0.2
113.02488	0.8
115.00434	0.2
115.62683	0.2
119.03545	0.5
119.05048	0.5
120.01293	0.3
121.03001	0.3
127.05177	0.3
128.03569	0.6
130.08772	0.2
131.03555	0.3
133.01471	0.3
134.03770	0.8
135.04137	0.3
136.01698	0.2
137.02483	0.2
139.04111	0.2
145.09856	0.2
149.02528	0.3
149.04575	0.5
149.06006	0.2
150.03223	0.7
150.06427	0.2
151.03993	0.4
161.04649	0.5
165.05609	0.8
178.02716	0.4
179.05647	0.4
181.05109	0.3
193.05038	1.2
194.05359	0.9
195.06577	0.4
221.06718	0.3
223.04514	0.2
263.07990	0.3
272.09711	0.2
301.10815	0.4
303.59564	0.2
313.11069	0.2
342.10876	0.5
385.18823	0.2
386.50650	0.2
389.12656	0.2
390.12796	1.0
391.13980	0.4
492.20724	0.8
519.82501	0.2
552.18298	0.4
552.31580	0.3
553.20642	1.9
553.33344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
61.98833	21.9
62.96406	1.3
71.59074	0.8
71.72336	1.2
78.95908	100.0
79.95761	0.9
80.96518	3.2
87.13235	0.7
90.20213	0.7
92.78702	0.7
96.96005	3.3
96.96969	4.3
98.95612	1.6
99.92590	13.7
114.94938	7.5
115.92086	18.5
116.92180	0.8
116.92873	4.6
119.98633	1.0
135.98129	0.7
140.01216	1.4
141.96039	12.8
142.95987	1.0
148.76448	0.8
150.98016	3.8
152.99608	50.8
153.99922	1.8
171.00702	2.1
178.88422	1.9
179.89226	16.4
179.90825	0.8
180.90056	9.2
181.90793	4.2
192.00624	2.5
192.02235	0.8
194.02248	2.6
196.03697	1.3
196.89493	42.2
197.89464	3.1
204.92407	2.5
205.91212	1.1
205.93164	4.9
209.68974	0.7
213.57762	0.8
219.92343	1.2
222.93440	3.1
223.94159	1.3
225.00725	1.1
235.91858	5.7
236.92619	3.0
255.23285	40.9
256.23550	2.1
259.94058	1.0
277.95212	1.9
409.23502	7.8
411.18500	1.7
435.12308	1.9
436.13593	0.8
450.26202	2.8
452.27811	13.0
454.27823	1.1
475.15268	4.2
476.15897	1.3
491.14764	1.2
492.15765	5.7
493.15906	1.8
509.16348	1.4
516.18250	13.5
517.18195	3.5
534.19360	8.3
535.19025	1.6
552.20251	51.9
553.19824	9.7
553.27069	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
59.01378	11.4
60.12496	0.2
61.65686	0.2
61.98816	0.4
70.77738	0.2
70.95657	0.6
71.01386	2.3
72.99316	0.2
73.02950	0.8
83.01376	0.5
85.02958	0.7
87.00893	0.3
89.02451	2.1
97.03004	0.2
99.00854	0.2
99.92591	0.6
101.02457	3.0
102.39765	0.2
103.04057	0.2
109.15024	0.2
113.02457	1.4
115.04021	0.2
116.92818	0.2
119.03535	0.9
133.05104	0.2
138.49838	0.2
143.03523	0.4
157.05109	0.2
161.04562	0.8
179.05603	0.3
183.65109	0.2
198.24837	0.2
199.17058	1.0
200.85930	0.6
235.08238	2.6
253.09282	12.0
254.09633	0.8
255.23283	100.0
256.23615	10.2
446.26733	0.2
491.32309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	51.3
69.44096	100.0
74.38567	7.9
77.08779	8.8
78.95910	25.4
81.27442	8.7
83.37012	8.7
96.96031	27.4
146.83383	11.8
152.99571	13.9
208.89508	10.0
258.13190	10.0
279.23392	47.7
551.30109	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	551.3073
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
55.01886	1.1
57.03446	1.2
58.00603	0.7
58.02955	0.2
59.01382	58.1
60.01719	0.7
61.01815	0.2
61.98835	8.1
69.03425	0.5
69.68902	1.7
71.01388	19.5
71.05025	0.4
72.01740	0.6
72.99315	1.4
73.02951	5.5
73.03334	0.3
74.02495	0.7
75.00880	0.6
78.91895	0.2
78.95939	0.4
83.01394	3.0
83.05040	0.3
85.02956	5.7
85.03442	0.4
86.03288	0.2
87.00888	1.6
87.04547	0.8
88.98829	0.8
89.02460	12.8
90.02790	0.3
93.03511	0.4
94.06682	0.3
95.01400	1.3
95.05079	0.3
96.00951	0.3
96.96030	0.3
97.02975	0.4
97.06628	0.7
98.19926	0.2
99.00894	1.5
99.04545	0.6
101.02459	14.0
102.02811	0.4
103.17423	0.2
108.02165	0.4
108.04545	0.3
109.02979	0.3
109.06651	0.3
111.00930	0.6
111.08207	0.3
113.02473	7.9
114.02779	0.3
115.00422	0.8
116.92874	0.3
119.03527	5.6
119.05014	0.5
120.01278	0.9
121.03007	0.4
122.06146	0.3
123.04552	0.4
123.08182	0.8
124.04100	0.2
124.07693	0.3
125.02467	0.5
125.07269	0.3
125.09722	0.4
127.05167	0.4
127.09880	0.2
128.03593	0.9
129.01941	0.4
131.03532	0.7
133.01457	1.0
134.03752	0.2
135.03053	0.2
135.04570	0.6
139.07690	0.2
143.03526	0.6
143.10825	0.3
145.06221	0.6
149.02455	0.2
149.04590	0.6
151.04109	0.2
151.11328	0.2
152.08495	0.2
153.09230	0.7
154.99898	2.6
157.08769	0.3
157.12355	0.3
159.03026	0.5
161.04578	1.4
163.04034	0.4
164.07205	0.4
167.10764	0.4
169.12364	0.4
171.10324	0.5
175.02507	0.3
177.12932	0.2
179.05679	1.1
179.07060	0.3
183.89946	0.2
187.13475	0.6
193.05144	0.4
205.12387	0.3
205.15997	0.3
215.12883	0.4
221.06691	0.7
235.17050	0.3
235.87877	0.2
241.10239	0.2
249.18497	0.4
263.20093	0.2
275.20297	0.4
293.21259	3.4
294.21606	0.4
295.13708	0.3
298.61786	0.6
301.20282	0.3
304.80917	0.2
306.07654	0.3
311.22269	1.7
317.88321	0.3
327.62051	0.2
329.23410	1.2
347.17484	0.2
359.13208	0.4
371.14081	0.3
371.24448	1.2
389.18112	0.8
389.25458	4.9
389.30148	0.4
390.25717	0.5
395.18335	0.4
427.19775	2.1
435.13467	0.2
447.25925	0.8
455.26700	0.4
465.14288	0.3
465.27142	0.4
473.27438	0.6
474.27756	0.2
482.66513	0.7
491.28494	2.9
492.28821	0.4
497.66382	0.3
503.66489	0.3
507.21365	0.3
507.28098	1.0
508.28143	0.2
509.29645	0.3
533.29694	0.6
551.30676	100.0
552.31049	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	551.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
55.01988	0.7
57.03297	1.2
57.03583	1.3
58.00724	0.6
59.01204	23.4
60.01571	0.8
60.01816	0.7
61.98652	6.0
61.99020	5.9
69.03318	0.9
69.03662	0.8
69.22935	0.7
71.01192	11.0
71.01638	7.2
71.04890	0.7
71.74291	1.1
72.99116	1.5
72.99561	1.0
73.02750	3.7
73.03213	2.1
75.00726	0.8
80.37579	0.5
83.01176	3.1
83.01720	1.6
85.02748	5.6
85.03330	2.1
85.06416	0.6
85.99966	0.7
87.00666	2.4
87.01237	0.9
88.98626	1.2
88.99103	0.6
89.02234	4.9
89.02865	1.9
95.01203	1.3
95.04845	0.7
96.00752	0.9
97.02804	0.7
97.06422	1.0
99.00671	1.8
101.02214	11.1
101.02963	3.2
103.11800	0.6
111.00677	0.7
111.07973	0.6
113.02204	5.0
113.03046	1.1
113.09544	1.1
115.00111	1.8
119.03268	1.5
120.01022	2.3
120.01962	0.9
122.05875	0.7
124.01517	0.6
125.02299	1.1
125.09492	1.6
127.11098	0.7
128.03284	2.3
128.04225	1.2
131.03322	0.6
133.01268	0.8
134.03523	1.1
135.04247	1.9
143.10487	1.9
145.05988	0.6
154.99576	2.6
157.08524	0.5
157.12132	0.9
161.04324	1.3
161.05569	0.6
168.91722	0.6
171.10027	1.4
179.03311	1.0
179.05292	0.6
193.04761	0.7
201.11008	12.0
202.11523	0.6
283.19119	0.8
285.20734	5.6
301.19879	1.6
303.21762	7.0
327.21371	0.6
359.13516	0.8
371.24442	3.9
372.24484	0.7
388.51813	0.6
389.25522	3.6
400.48077	0.6
405.13345	0.6
429.24686	2.7
447.20111	1.1
447.25964	15.8
448.26242	2.1
465.27066	21.8
466.27515	3.3
491.28345	1.6
507.28104	100.0
508.21170	0.5
508.28384	13.2
533.29669	1.3
551.30750	59.5
552.31061	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	551.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90253	0.5
55.01874	0.9
57.03446	1.5
58.00612	0.7
59.01382	98.5
60.01701	1.3
61.98841	4.9
67.45147	0.5
70.47867	2.2
71.01386	13.4
71.01762	0.9
72.99342	0.9
73.02959	5.3
78.43426	0.6
83.01403	2.2
85.02962	6.9
87.00892	1.5
89.02460	2.9
94.98109	2.5
95.01416	0.9
99.00920	1.3
101.02455	10.8
108.02180	0.6
111.00916	1.4
113.02467	5.8
113.09705	0.7
143.10814	0.5
159.03017	1.2
161.04578	1.7
170.58504	0.6
179.03790	0.8
179.05548	0.8
196.21581	0.6
198.82404	0.7
243.19569	1.1
256.54361	0.5
283.92780	0.6
301.20303	1.3
329.23257	0.8
371.24268	0.7
387.24023	1.3
389.25433	0.8
405.24969	2.1
447.26096	3.2
465.27026	2.5
489.27115	4.0
491.32178	6.4
492.32266	1.7
507.28085	100.0
508.28442	17.6
551.22736	0.8
551.30701	11.9
552.30713	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	550.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.7
58.60189	0.7
59.01380	41.1
61.98834	30.7
69.03455	1.2
69.98233	3.5
71.01389	11.0
72.99310	0.9
73.02951	8.8
83.01385	3.8
83.05031	1.1
85.02958	5.1
89.02464	3.6
95.01383	1.0
98.19962	1.0
101.02460	9.9
107.05055	1.0
107.40158	0.7
113.02458	4.3
115.00402	1.2
119.03493	1.0
119.05090	1.3
121.06580	0.9
123.04563	2.3
123.08195	5.3
134.03770	12.4
135.04526	5.5
135.08214	1.0
137.02431	1.5
139.04089	0.9
139.07635	1.4
148.05289	1.6
149.02454	1.8
149.04581	1.6
149.06088	2.9
149.09692	1.0
150.03255	7.1
151.04036	3.8
151.07672	19.7
152.07983	1.1
154.99881	1.3
160.08920	1.9
161.04555	4.6
161.09720	7.4
163.07668	17.1
164.04436	0.7
164.08189	0.8
165.05592	8.5
165.09258	6.3
172.77776	0.8
173.09758	2.2
177.09204	4.6
178.02773	5.8
179.10815	13.4
179.27487	0.9
180.11107	1.2
181.05075	2.6
185.09734	1.1
188.08476	7.9
191.07123	0.8
191.10750	1.3
193.03343	1.0
193.05070	15.5
195.06616	2.8
203.05614	1.8
203.10785	64.0
204.11128	5.1
206.56381	0.8
221.11826	100.0
222.12151	9.3
228.10648	0.8
235.06058	1.7
326.03683	0.8
331.02255	0.9
341.10431	0.9
342.50964	0.7
357.09900	0.8
358.09863	0.9
389.12479	11.4
425.18478	3.8
443.19067	3.9
498.42386	0.8
551.17694	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	549.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96584	0.1
53.94606	0.2
55.01863	0.2
59.01378	10.6
61.98840	0.8
66.14059	0.2
69.53942	1.4
70.82845	0.1
71.01382	1.8
72.99308	0.2
73.02947	0.6
78.95900	1.1
83.01402	0.3
84.96909	0.1
85.02958	0.6
87.00871	0.4
89.02454	2.0
101.02448	2.2
101.49492	0.2
103.04071	0.2
113.02452	1.0
113.10324	0.1
119.03529	0.6
129.20148	0.2
133.05104	0.4
141.92802	0.2
152.99603	0.4
157.05122	0.2
161.04573	0.9
179.05612	0.2
196.89426	0.4
217.08456	0.2
235.08250	2.2
253.09302	12.0
253.21713	100.0
254.09633	0.7
254.22061	9.6
356.66830	0.2
374.14392	0.2
421.80634	0.2
431.21704	0.2
489.30734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03442	1.3
58.00605	0.9
59.01381	39.9
60.01712	0.8
61.98833	100.0
69.03468	0.6
71.01387	17.5
71.05026	0.7
71.73874	0.5
72.99321	1.6
73.02955	11.7
74.02494	0.6
75.00902	0.9
78.95900	0.7
83.01384	4.6
85.02958	6.0
86.03291	0.4
87.00875	4.0
87.02782	0.6
87.04508	0.5
88.98829	1.6
89.02448	6.5
93.03479	0.7
95.01415	1.1
96.00946	1.2
96.96015	0.5
96.97031	0.4
97.02958	0.5
98.02493	1.4
99.00890	1.1
101.02460	14.8
102.02860	0.4
108.04585	0.6
109.02986	0.6
109.06637	0.7
111.00904	1.4
111.89854	0.4
113.02450	6.4
113.03596	0.5
113.06143	0.4
114.02802	0.4
115.00376	2.4
116.92918	0.7
119.03513	2.9
119.05011	2.6
120.01255	0.9
121.02982	1.1
123.04491	0.6
125.02480	1.5
125.06104	0.4
127.00392	0.5
128.03589	1.1
129.01970	1.3
130.06172	0.4
130.08778	0.7
131.03572	1.7
133.01466	1.8
134.03796	1.0
135.02971	0.5
135.04558	1.4
137.02525	0.5
137.09810	0.7
138.05630	0.4
143.03545	1.6
143.04596	0.5
147.04550	0.8
147.08186	0.8
149.02515	0.7
149.04605	1.9
149.06136	1.2
149.09802	0.5
151.07690	1.0
154.99899	3.4
159.03139	0.4
161.04576	4.9
163.04056	1.5
163.07782	0.4
163.38849	0.4
164.04808	0.7
165.01964	0.5
165.05655	0.4
165.09248	2.4
170.07355	0.6
174.03287	0.7
174.23964	0.4
175.02605	0.6
175.04053	3.1
175.11328	0.6
176.04820	0.7
177.05554	0.6
177.09230	0.7
179.03551	1.1
179.05656	1.2
179.07091	0.5
180.04358	2.5
181.05086	0.5
185.09760	0.8
185.24982	0.3
186.05508	0.4
189.05568	2.3
190.06377	4.8
191.07144	3.6
193.05106	3.4
194.05849	1.5
197.09863	0.4
203.05695	0.7
203.10791	16.4
204.11134	1.7
205.03632	0.9
205.08736	4.5
207.06682	1.6
208.07375	2.6
220.11078	2.4
221.06773	1.4
221.11797	5.8
222.08965	0.5
222.12425	0.5
223.04497	3.4
223.11726	0.6
236.51570	0.4
249.11311	3.0
275.12851	5.4
276.13361	0.8
277.09650	0.6
293.13882	3.1
294.14462	0.7
300.11349	0.5
328.25034	0.4
344.12842	0.7
346.14142	0.6
346.25995	0.5
359.15018	28.0
365.16226	1.0
383.17120	0.5
389.16272	1.7
389.25296	0.4
414.16647	0.9
421.19357	0.6
425.18167	4.7
426.18436	0.7
434.14639	0.9
435.13272	1.1
443.19131	2.2
446.24747	0.5
447.25998	1.0
463.20316	1.2
465.26907	0.5
483.17081	0.6
490.30206	7.6
491.30267	0.8
507.11481	0.5
508.31256	1.5
512.68048	0.5
532.24341	1.5
549.29187	1.3
550.22607	6.6
550.29639	1.5
551.23157	0.9
551.30725	6.5
569.64355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03449	1.4
58.00594	0.5
59.01380	100.0
60.01695	0.8
61.98835	6.9
64.41323	0.4
69.03451	0.8
71.01384	11.4
71.04985	0.5
72.70387	0.4
72.99326	1.3
73.02948	5.1
75.00873	0.4
76.70258	0.4
83.01397	3.2
85.02953	6.7
86.00124	0.4
86.03355	0.5
87.00896	2.2
87.04536	0.4
88.98830	0.9
89.02462	2.5
89.02926	0.4
95.01369	0.8
97.02952	0.7
97.06557	0.4
99.00887	1.7
99.49859	0.4
101.02448	9.9
101.03075	0.6
106.06645	0.5
111.00921	0.9
112.54629	0.4
113.02465	4.2
115.00368	2.1
119.03521	0.9
122.06076	0.5
129.01939	0.5
133.01428	0.6
143.03555	0.5
159.02966	0.7
161.04564	2.0
162.02309	1.0
175.02515	1.3
183.08093	0.4
183.09555	0.4
215.12999	0.5
223.17081	0.8
257.12973	0.5
301.20230	0.6
327.21722	0.9
345.22595	0.5
352.39563	0.4
367.21561	0.5
385.22351	2.1
387.23691	0.7
391.27060	2.3
427.23230	1.1
445.23840	2.0
446.24817	0.5
463.25272	4.7
464.25879	0.8
487.25455	4.8
488.25717	0.8
489.30527	1.8
505.26517	93.9
506.26871	15.7
549.28784	10.8
550.29181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03433	2.6
58.00600	2.3
59.01380	58.5
60.05624	0.8
61.98822	6.2
69.03484	1.0
69.55210	4.9
69.55637	3.4
71.01385	57.5
72.99294	2.2
73.02957	11.0
80.51203	0.8
83.01400	4.4
85.02958	18.4
85.03449	1.4
87.00895	2.9
89.02454	48.6
95.01376	1.1
97.02932	1.1
99.00889	4.1
101.02457	27.2
112.77016	1.0
113.02470	17.2
115.00373	4.0
119.03509	10.8
119.05048	3.9
121.71947	0.9
125.02465	3.2
129.01875	1.1
131.03522	8.5
133.01469	2.5
143.03514	3.2
147.03107	0.9
149.04590	11.3
154.99837	1.3
159.03008	1.0
161.04573	14.3
163.04033	4.6
165.66817	0.9
175.02550	1.5
177.09241	4.7
179.05630	3.9
179.10670	0.9
186.12489	0.9
191.05614	3.7
195.10236	4.4
203.10733	1.6
221.11868	4.5
233.06670	1.1
293.09003	1.8
299.10349	1.5
309.12848	0.9
320.62323	0.9
357.15546	33.7
358.15967	3.4
371.07660	2.6
473.12100	1.6
489.19775	100.0
490.20081	17.7
549.15704	3.7
549.27643	1.7
550.26178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33265	0.2
53.00992	0.2
53.67173	0.2
55.01875	0.5
57.03452	1.3
58.00594	0.5
59.01380	13.6
61.98830	3.1
69.03465	0.8
70.92999	0.3
70.93357	0.8
71.01386	12.5
71.05020	0.2
72.01758	0.3
72.99304	0.8
73.02951	2.3
81.03481	0.3
83.01412	1.5
85.02958	3.4
86.00108	0.8
87.00378	0.5
87.00884	5.5
89.02455	1.4
95.01405	0.7
97.02963	0.9
97.06586	0.2
99.00879	1.4
101.02460	4.3
107.40276	0.2
111.00906	0.3
111.08126	0.3
112.01678	0.6
113.02463	2.7
113.09743	0.5
116.75866	0.2
119.03522	0.3
124.01686	2.0
125.02470	2.3
125.09743	0.5
127.11284	0.5
134.03534	0.2
141.12805	0.3
142.02805	0.2
143.03529	0.7
156.33020	0.3
156.53525	0.2
175.02487	0.3
198.18108	0.2
211.20682	0.3
221.19104	14.1
222.19487	1.1
224.88261	0.2
232.93053	0.2
237.18570	0.6
239.20164	2.6
251.20195	0.4
257.21158	0.8
265.18066	8.2
266.18329	0.7
267.19656	0.3
279.11365	0.6
280.12036	0.2
281.21228	0.6
283.19119	13.4
284.19376	1.1
297.20657	0.5
301.20203	16.7
302.20657	1.5
315.21802	0.8
325.20172	1.2
343.21320	0.9
355.21289	0.3
415.23843	0.3
427.23438	2.4
445.24420	16.1
446.24707	1.9
463.25488	24.3
464.25854	2.9
487.25055	0.4
505.26517	100.0
506.26855	14.4
549.28119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42230	0.4
55.28397	0.4
59.01380	1.2
59.69456	0.3
61.98832	100.0
68.60520	0.4
71.71648	0.5
73.05779	0.4
94.55903	0.4
108.29146	0.4
116.04185	0.3
116.38027	0.3
119.11570	0.4
121.02993	0.6
152.88332	0.4
376.84833	0.4
549.28571	0.5
554.42566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69126	0.6
53.64051	0.6
55.01874	1.4
57.03443	2.3
58.00591	1.3
59.01384	23.0
61.98819	1.3
63.34157	0.5
69.03460	1.6
69.88477	3.8
71.01388	58.1
72.01722	1.0
72.99306	1.8
73.02532	0.8
73.02951	15.4
75.19019	0.5
80.85546	0.5
81.03468	1.2
83.01399	6.4
85.02963	20.6
87.00887	2.5
89.01908	1.1
89.02459	19.9
95.01400	2.5
96.47141	0.7
96.96010	1.9
97.02990	2.7
99.00893	6.3
101.02458	33.0
108.02144	0.5
109.02957	1.1
111.00892	1.4
111.08174	3.0
113.02470	18.6
114.02792	0.8
115.00409	1.7
115.04039	0.6
116.92868	0.9
119.03514	2.4
119.05101	0.8
120.01199	0.6
125.02465	5.4
128.03539	1.2
129.01959	1.9
130.20058	0.5
131.03540	3.4
133.01468	1.5
134.03741	0.8
135.04556	1.3
137.02467	0.8
139.06596	1.3
139.07674	27.3
140.07999	1.1
143.03514	4.9
149.04591	4.1
149.05608	0.6
154.99872	1.2
159.03026	4.0
161.04587	27.8
162.04901	1.3
165.01906	0.8
173.04617	0.7
175.02588	1.0
179.03455	0.8
179.05640	1.9
180.04199	0.6
187.22383	0.6
191.01990	0.9
191.05655	1.6
195.06651	1.5
195.10271	4.4
203.10835	1.0
205.03421	1.1
217.57344	0.5
221.11839	2.2
223.04591	0.5
233.06613	1.7
248.87563	0.6
257.65439	0.5
289.40088	0.6
293.08804	6.3
294.08902	0.7
297.93848	0.5
317.06671	1.1
357.15536	26.5
358.15814	3.0
401.75082	0.7
443.35947	0.7
489.19769	100.0
490.20145	15.0
549.16064	6.0
549.25330	3.3
550.16534	1.1
550.24622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03440	2.8
58.00592	1.9
59.01381	100.0
60.01715	1.4
61.98831	13.8
69.03473	1.9
69.57744	2.2
69.58178	2.6
71.01386	39.2
71.05025	1.0
72.99308	3.6
73.02950	15.2
73.03338	1.0
75.00887	5.0
78.95983	0.5
81.03426	0.7
81.07090	0.6
83.01396	7.1
83.05044	1.3
85.02957	8.2
87.00890	5.0
87.04545	0.6
88.98824	1.2
89.02454	24.4
95.01409	2.3
96.96056	0.6
97.02988	1.9
99.00904	1.9
99.04554	0.8
101.02459	24.0
101.62218	0.6
102.02772	0.7
107.05014	0.6
108.02232	0.9
109.06630	0.7
111.00926	0.8
111.04538	0.8
111.08232	0.8
112.98791	0.9
113.02460	10.8
115.00401	3.5
119.03525	8.9
119.05012	3.1
121.02940	0.7
121.06604	0.8
123.00726	0.6
125.02478	2.3
125.06133	0.9
128.03500	0.8
131.03551	2.4
133.01477	4.0
133.10196	1.0
134.03738	0.7
135.03018	14.2
135.04063	0.8
135.04555	1.3
135.11823	8.2
137.09790	0.7
139.07684	0.8
143.03525	2.6
149.04585	5.0
155.00006	1.5
156.98965	0.5
159.06731	0.7
159.08206	1.0
159.11842	1.4
161.04625	5.1
161.05783	0.8
161.09729	5.0
163.04074	1.6
163.11313	1.5
163.12672	0.7
175.02533	3.0
177.12888	0.8
179.03468	0.7
179.05699	4.6
179.10797	41.8
180.11142	3.4
181.06836	0.6
189.12875	1.3
203.10809	5.3
205.08743	0.8
207.16168	0.5
215.99895	0.6
219.13995	0.8
221.06689	1.1
221.11972	0.8
223.09781	26.0
223.13451	3.0
224.10176	2.0
233.11897	1.5
265.10843	2.3
267.12457	1.3
277.10959	1.3
295.11871	13.3
296.12189	1.0
315.08844	1.2
325.20343	2.3
341.11053	1.6
349.13245	0.6
367.13983	20.2
368.14438	2.6
385.14975	6.7
389.25916	0.6
431.17340	1.2
443.22955	1.0
487.18527	0.7
487.25729	2.2
503.24936	3.6
505.26767	1.8
529.19031	0.7
529.26282	3.4
547.20343	33.7
547.27844	72.6
548.20697	6.3
548.28217	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	547.2029
Annotation	Kunzeaphlogin F
Peak:m/z	Relative Intensity
55.01874	1.1
57.03436	2.2
58.00594	1.7
58.40408	0.5
59.01379	100.0
60.01729	1.1
61.98828	11.2
69.03461	1.5
69.53265	1.2
69.53687	3.2
71.01384	37.0
71.05025	1.1
72.01727	0.8
72.99315	4.2
73.02950	19.4
74.02467	0.8
74.03284	0.5
75.00449	0.9
75.00876	16.0
78.95905	0.4
81.03468	0.6
83.01392	8.4
83.05016	1.2
85.02962	9.1
87.00890	4.8
87.04532	1.0
88.98827	1.5
89.02452	22.4
93.27488	0.4
95.01385	2.0
95.05022	0.7
96.00941	0.7
96.96063	0.8
97.02962	1.2
97.06615	1.1
99.00890	2.2
99.04548	1.0
101.02457	24.7
102.02795	0.6
107.08646	0.5
109.06585	0.5
111.00919	1.0
111.04552	0.5
113.02461	11.9
114.02785	0.8
115.00382	3.5
115.04001	0.5
116.92914	0.6
117.01962	1.3
119.02721	0.8
119.03519	7.0
119.05055	1.8
123.08172	0.8
125.02486	1.7
125.06110	0.9
128.03615	0.5
129.01952	0.5
130.08714	0.6
131.03540	3.2
133.01468	2.5
133.10289	0.6
134.03755	1.3
135.03014	57.5
135.08165	0.6
135.11823	4.7
136.03328	1.3
137.09697	1.0
139.07684	1.2
143.03542	2.5
143.04486	0.4
149.04555	4.1
149.06013	0.7
150.03276	0.5
151.03929	0.5
154.99883	1.1
155.10777	0.5
159.06593	0.6
159.11826	0.7
161.04581	4.4
161.09732	3.0
163.04031	0.7
163.11304	1.1
165.05595	0.7
175.02478	2.4
179.03526	0.6
179.05608	2.5
179.10793	26.9
180.11101	1.9
181.05045	0.5
187.11258	0.6
189.12956	0.6
193.05042	1.0
203.10786	3.4
205.12398	0.6
215.10750	0.9
221.06607	1.0
221.11792	0.6
223.09787	16.6
223.13303	10.0
224.10060	0.8
224.13557	0.8
233.11751	0.9
265.10745	1.0
265.14438	0.6
267.12393	2.4
277.10782	0.7
285.90836	0.4
295.11899	7.1
307.19089	0.6
325.20068	2.0
341.10825	0.9
367.13968	13.2
368.14096	1.4
380.38873	0.5
385.15021	17.6
386.15289	1.9
389.12271	0.5
389.25351	0.6
425.76184	0.5
427.15833	1.3
427.22696	0.5
431.17029	1.1
432.23788	0.9
470.91922	0.5
484.31815	0.5
487.25281	2.4
503.24844	2.4
505.26730	2.3
525.80255	0.6
529.19208	0.5
529.26111	2.7
547.19983	29.5
547.27399	79.2
548.20258	5.3
548.27728	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	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14600	1.9
57.92055	2.3
59.01382	37.7
60.24908	2.3
61.98837	26.8
71.01385	6.8
72.99316	2.7
74.02470	2.5
75.00877	2.6
82.06222	2.2
85.02962	6.3
88.98811	15.9
89.02466	3.0
96.96042	11.4
97.02989	2.7
101.02477	3.0
108.02161	7.8
111.00882	8.4
115.00393	4.7
119.05058	9.6
123.04543	12.0
128.03583	3.2
133.01443	8.1
134.01660	2.4
134.03770	12.8
135.04553	4.1
145.02945	5.3
147.04509	3.4
148.05305	9.5
149.06120	24.5
153.05623	2.5
159.04562	3.3
160.05324	3.4
162.03055	2.1
162.06873	3.4
163.04076	14.4
163.07616	8.1
173.02432	4.0
175.02586	3.3
175.03963	5.9
176.04813	51.4
177.05151	3.8
178.06297	2.9
188.04811	33.2
189.05440	3.2
191.07147	70.9
192.07452	5.6
203.07162	25.4
206.05850	29.0
221.06032	5.1
221.08194	100.0
222.08540	6.7
235.06120	64.4
236.06451	3.2
263.09262	5.6
265.07285	2.7
277.21857	2.4
281.10281	4.5
319.80435	2.7
325.09305	88.1
326.09616	9.0
383.13522	10.4
385.13873	11.0
386.14426	2.9
397.11475	11.5
415.12552	8.6
427.12399	13.2
487.14719	3.9
503.25516	3.0
509.08481	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03456	1.6
58.00592	0.7
59.01379	21.6
61.98832	3.4
67.99041	0.6
69.29789	0.8
71.01385	27.1
71.72660	0.9
72.99319	2.1
73.02937	3.3
75.00871	0.7
76.74227	0.7
78.95942	0.8
83.01402	4.8
85.02963	4.5
87.00884	32.3
88.01258	1.0
88.98853	1.5
89.02464	2.7
93.03467	0.8
96.96033	1.0
99.00897	1.2
101.02454	3.2
109.36700	0.6
111.00893	8.6
112.98828	0.9
113.02467	3.6
115.00390	63.4
116.00689	1.3
119.03538	1.2
120.01270	7.0
121.01728	0.8
122.06060	0.7
127.00410	1.9
128.03564	1.2
129.01935	1.0
131.03477	0.7
133.01442	6.5
135.02960	0.7
135.04594	1.6
139.00398	16.2
140.00740	0.8
149.04732	0.7
149.09639	0.8
154.99791	0.6
157.01447	30.3
158.01784	1.4
161.04561	1.1
161.06006	0.7
175.02498	100.0
176.02861	3.2
179.03452	1.2
179.05740	0.8
193.05103	0.7
211.07779	0.8
225.02049	0.7
227.10930	0.7
236.16772	0.8
253.09842	0.6
271.09702	1.2
279.07904	0.9
280.08566	2.9
283.10718	1.1
295.10840	7.6
296.11240	0.9
297.07617	0.7
297.12402	0.8
309.12466	1.1
315.08829	3.0
323.10336	1.3
325.12128	2.2
327.09277	1.0
327.13535	3.2
335.10532	0.7
339.09909	3.6
353.11337	0.9
367.08365	0.8
371.12506	9.0
372.12619	1.5
391.12775	0.9
397.10477	1.7
399.11856	1.3
401.13565	2.0
429.12967	5.2
431.14590	1.2
435.12082	1.6
447.14258	0.9
453.13602	0.8
467.14551	6.8
468.14929	0.8
485.15610	10.3
486.15994	2.0
487.13651	4.0
499.13345	1.1
511.13605	0.8
529.14551	0.8
546.36377	1.4
547.15875	2.8
547.26843	2.9
548.16315	1.5
548.26324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.98829	0.3
69.61498	0.9
69.61919	0.4
78.95908	8.1
98.20664	0.3
122.00173	0.4
140.01193	2.2
152.99585	1.0
155.19041	0.2
196.03812	1.1
196.89433	0.2
214.04861	2.9
214.14783	0.1
331.79019	0.1
349.27475	100.0
350.27802	14.4
448.15802	0.2
520.99512	0.2
546.31934	13.2
547.17749	0.3
547.32324	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	546.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85110	0.8
51.84506	0.9
54.88882	0.8
56.64487	0.8
58.02964	1.1
59.01384	11.3
60.51374	0.9
61.98830	3.7
69.36375	0.9
71.01383	22.2
72.99313	2.5
73.02960	2.3
73.04073	0.9
74.02477	4.8
78.83957	0.8
78.95902	0.9
83.01411	1.6
83.96281	0.8
85.02966	3.3
87.00879	1.4
87.05692	0.9
88.04050	74.3
89.02458	6.8
89.04376	1.6
91.05558	2.8
94.48485	0.8
96.00945	1.2
96.96034	1.1
98.02458	1.1
98.19848	2.0
99.00905	1.0
101.02470	6.1
105.71777	1.1
113.02480	2.5
114.01975	5.4
115.00390	38.8
115.08810	2.1
116.00716	1.2
116.92872	1.4
119.03515	2.7
119.04982	1.5
120.01286	4.3
125.02487	1.1
127.05159	1.7
127.08786	1.0
128.03609	1.9
130.03014	3.6
130.08751	1.4
132.03047	97.7
133.01447	76.4
133.03076	1.6
133.03549	1.8
134.01790	2.2
134.03757	1.9
135.04546	22.5
136.04901	1.1
143.04678	2.1
144.07800	1.3
154.99893	1.8
161.04521	1.3
162.05647	1.6
166.82227	1.0
171.07784	2.1
174.01952	10.2
175.02505	1.3
179.03513	17.7
179.05731	1.8
205.03622	1.1
205.12366	1.7
206.04628	2.6
206.08292	2.2
218.01073	4.5
221.06561	1.3
223.04617	2.7
250.03629	4.4
250.07202	100.0
251.07515	9.2
268.13431	1.1
270.11252	1.2
295.04645	3.4
303.34106	1.0
306.07834	1.9
312.12451	3.0
373.54730	0.9
384.10925	1.6
396.18045	1.0
458.20764	1.7
502.23267	2.0
525.62042	1.1
546.26099	4.6
547.24817	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	0.9
59.01380	17.3
59.59275	0.5
61.98822	2.2
71.01389	2.4
71.21389	1.6
73.02956	0.9
78.49008	0.6
84.97061	0.5
85.02959	1.1
87.00894	0.5
89.02459	2.9
101.02475	3.1
113.02454	1.1
115.99187	0.5
119.03519	1.0
133.05058	0.9
143.03563	0.6
148.02986	0.5
161.04575	1.1
179.05667	0.5
205.19350	0.5
235.08241	2.1
249.18599	100.0
250.18942	10.6
253.09274	15.5
254.09570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14855	0.2
55.01883	0.3
57.03438	0.3
59.01381	8.8
60.01696	0.3
60.99308	13.9
61.98832	2.2
62.30003	0.2
64.17501	0.3
69.03468	0.3
71.01384	3.4
71.05028	0.4
72.90163	0.2
72.99306	0.3
73.02952	1.8
75.84729	0.2
83.01383	1.0
85.02938	1.1
87.00898	1.1
88.78111	0.2
88.98815	100.0
89.02423	1.1
89.99146	1.3
98.19770	0.5
101.02447	2.3
111.00866	0.3
112.98830	0.3
113.02477	1.3
115.00391	1.1
115.04053	0.2
119.03516	0.4
131.03520	0.3
133.01421	0.6
135.04512	0.4
137.09744	0.3
154.99866	0.4
157.01418	0.2
160.26106	0.3
161.04575	0.8
164.37773	0.2
175.02451	0.5
221.08241	0.7
229.75935	0.3
258.62469	0.3
321.44479	0.2
352.94321	0.3
383.13260	0.5
387.23831	0.7
501.23608	0.8
545.18188	0.9
545.26086	2.9
546.26379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03446	0.5
57.46591	0.2
59.01381	13.5
60.99308	13.9
61.98831	2.0
69.03474	0.2
69.42461	2.1
71.01390	4.9
72.01675	0.2
72.99321	0.5
73.02950	3.9
73.91446	0.2
74.02477	0.2
74.03285	0.2
75.00898	0.5
83.01411	1.6
83.05044	0.5
85.02968	0.8
87.00904	1.4
88.98816	100.0
89.02448	1.6
89.99154	1.3
92.10197	0.2
95.01388	0.4
97.06593	0.2
98.19874	0.3
99.00903	0.5
101.02454	3.7
102.02838	0.3
111.00874	0.3
112.98805	0.4
113.02485	1.7
115.00400	1.1
119.03539	0.7
119.05038	0.3
125.02428	0.3
128.03549	0.5
130.08795	0.4
131.03519	0.6
133.01463	0.5
134.06120	0.6
135.02972	0.3
135.04547	0.5
137.06082	0.2
143.03526	0.4
149.04564	0.7
151.07680	0.4
152.82693	0.2
154.99863	0.6
161.04565	0.9
175.02477	1.1
178.05132	0.6
179.03470	0.3
179.05557	0.6
206.58615	0.2
221.06706	0.3
252.38348	0.2
263.16559	0.3
279.15878	0.5
323.18616	1.6
375.62808	0.2
383.20587	0.2
389.25336	0.4
501.23325	3.6
501.34464	0.3
502.23788	0.8
545.18164	0.3
545.25830	4.3
546.26495	0.7
546.48199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22786	1.2
59.01371	3.4
61.98824	9.0
69.43355	2.7
69.43742	12.9
71.01369	3.9
78.95911	100.0
96.96955	1.1
99.92596	28.5
100.92628	1.4
110.98546	16.0
112.82004	1.2
115.92074	18.2
116.92097	2.1
116.92865	15.3
144.25970	1.2
150.97995	2.7
151.01604	2.9
152.99583	6.0
155.95229	1.8
163.89737	1.4
164.99603	4.3
167.01173	10.3
178.88435	5.3
179.89241	36.3
180.90042	18.3
181.90739	4.4
193.90788	43.1
194.87917	1.9
194.91614	14.3
195.92366	1.6
196.89491	98.8
197.89494	4.6
206.75233	1.3
210.91006	7.8
236.92520	2.2
248.92630	4.2
249.93376	4.5
250.94150	7.7
251.94785	2.2
252.92107	2.8
266.93658	4.5
267.94415	3.0
277.21628	13.5
306.56201	1.2
377.13959	1.4
389.10681	1.5
445.23654	4.2
455.21478	2.7
458.08197	1.9
527.15027	24.5
528.15015	4.1
541.12848	8.3
542.13354	1.7
545.16083	82.8
546.16241	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	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88423	0.5
59.01380	67.0
60.01714	0.7
61.61045	0.5
61.98830	1.8
63.14120	0.4
65.61976	0.4
65.87221	0.5
71.01397	2.0
71.42229	1.0
76.25925	0.5
78.95930	0.9
89.02464	2.0
96.96003	0.7
101.02454	0.6
131.03535	1.3
135.63074	0.6
149.04550	1.2
180.63683	0.5
194.90132	0.9
221.84665	0.5
223.08228	5.0
277.21722	100.0
278.22073	11.1
360.28448	0.5
435.41916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92310	0.6
55.01874	0.8
57.03445	3.9
59.01380	75.1
60.01717	1.4
60.24118	0.6
61.98836	7.8
62.71058	0.6
63.82178	0.5
69.45072	6.7
71.01387	17.2
71.05019	1.1
72.99303	2.5
73.02951	5.0
74.02466	0.7
75.00880	15.0
83.01395	6.2
83.05035	0.9
85.02960	5.6
87.00883	22.4
89.02454	6.7
98.14495	0.6
99.00896	0.9
99.04514	1.1
101.02458	3.5
109.06604	1.0
111.00892	3.1
112.98768	0.8
113.02465	5.0
115.00387	38.5
116.00759	0.8
116.07178	1.8
117.01936	2.2
119.03518	1.0
125.06094	1.4
127.00369	0.8
129.01997	0.6
131.03511	2.2
133.01436	0.9
135.03018	55.8
136.03349	1.2
139.00383	5.6
150.06801	0.6
154.99866	0.8
157.01431	13.6
161.04556	0.8
161.09758	0.9
161.13400	1.6
163.11288	1.2
175.02495	63.6
176.02853	2.5
179.05569	0.9
187.11253	1.5
189.09189	0.8
205.12305	3.2
207.10274	3.3
223.13396	20.0
223.15599	1.1
224.13747	1.5
229.12219	0.7
249.11293	1.8
267.12372	8.2
268.12500	0.8
279.81470	0.6
367.13913	1.6
385.15036	28.3
386.15405	4.2
386.21710	0.8
407.13528	4.8
425.14587	15.6
426.14795	1.7
427.16260	1.4
525.16199	1.3
542.34369	0.9
543.17126	100.0
543.34326	2.4
544.17462	17.1
544.25470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
56.57242	0.2
57.03445	1.6
58.00599	1.4
59.01379	100.0
60.01701	1.3
61.98829	4.1
63.09805	0.2
66.40095	0.2
68.99812	0.2
69.03465	2.0
71.01385	43.8
71.72617	0.2
71.72996	0.2
72.01738	0.7
72.02127	0.2
72.99317	1.7
73.02952	15.3
74.03294	0.3
75.00871	0.9
81.03472	0.2
83.01392	10.0
84.01732	0.2
84.02203	0.2
85.02959	14.6
86.03299	0.3
87.00897	1.4
87.04501	0.4
89.02453	20.7
90.02799	0.4
94.82196	0.2
95.01392	1.0
95.05083	0.2
96.96044	0.3
97.02982	0.9
99.00900	1.8
99.04557	0.5
101.02456	44.6
102.02796	1.2
108.08224	0.3
110.34264	0.2
111.00924	0.2
113.02466	24.2
114.02069	0.2
114.02769	0.9
115.00389	0.4
115.04018	0.5
119.03514	4.2
123.08228	0.2
125.02470	2.8
126.02817	0.2
128.03520	0.2
131.03519	29.5
132.03864	1.0
133.01399	0.2
139.04092	0.2
143.03517	2.4
149.04568	3.2
154.99908	0.2
161.04575	2.5
167.03476	0.2
173.04573	2.4
175.02498	0.3
179.03426	0.3
179.05643	0.8
191.05621	12.7
192.05972	0.7
197.48975	0.2
203.05591	0.3
215.05563	0.2
217.13031	0.2
218.47987	0.2
221.06705	0.4
233.06654	4.7
234.07040	0.3
236.16490	0.3
254.17612	0.2
257.06735	0.3
261.38135	0.2
262.18045	0.3
263.07724	0.4
275.07657	0.5
293.08755	0.9
335.09906	0.3
455.84955	0.2
483.22958	0.3
483.29538	0.6
483.33627	0.3
496.16785	0.2
501.30820	0.8
511.68661	0.2
543.24945	0.4
543.33777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28599	0.5
55.01883	1.2
57.03444	1.8
58.00603	0.8
59.01380	31.1
59.64391	0.5
61.98835	5.1
63.35058	0.5
67.01890	0.6
68.99838	0.8
69.03455	0.8
69.77051	2.0
69.77480	1.2
71.01387	20.0
71.05010	0.5
72.01707	0.6
72.99318	2.7
73.02952	7.5
74.02473	0.7
75.00881	1.6
79.05549	0.5
83.01398	6.2
83.05029	0.6
85.02959	10.5
87.00883	19.2
87.04525	0.6
89.02452	4.4
91.07743	0.5
95.01402	1.0
95.05061	0.8
96.00914	1.3
96.96080	0.7
97.02937	0.8
97.06623	0.6
98.02509	1.2
98.90965	0.5
99.00916	1.1
101.02457	7.8
104.31342	0.5
107.04999	0.7
111.00892	2.4
111.04503	0.8
112.98843	1.6
113.02460	8.7
115.00386	42.8
115.04037	0.9
116.00761	1.4
116.05070	0.9
119.03542	1.6
119.05040	0.8
121.06635	0.7
121.72219	0.4
124.04055	0.6
125.02473	0.6
125.06116	1.0
127.00397	0.5
127.05180	1.4
128.03529	1.4
129.01964	1.3
129.10400	0.8
130.08786	4.2
131.03522	1.0
131.09055	0.6
133.01448	1.4
133.10277	1.1
134.06158	1.8
135.03023	2.1
135.04512	0.9
135.11829	5.0
136.12263	0.5
139.00421	3.6
143.03539	1.0
146.07372	0.5
149.04633	0.5
154.99881	2.7
157.01450	7.9
157.46248	0.5
159.08168	0.7
159.11795	1.2
161.04578	2.7
161.09760	4.4
170.06004	0.5
174.01807	0.5
175.02493	100.0
176.02850	3.6
177.12790	0.7
178.05096	0.9
179.05600	0.8
179.10786	21.7
180.11140	1.3
189.09346	0.5
203.10785	2.0
205.08672	0.6
211.76703	0.5
221.06625	0.6
221.11859	0.7
223.09769	10.6
223.13420	1.4
224.09947	1.1
236.20518	0.5
265.10809	0.9
311.09201	3.8
337.07730	0.7
363.10739	2.8
364.11404	0.8
381.11899	64.5
382.12314	7.6
385.15097	2.6
386.15811	0.5
425.14438	2.0
507.28128	0.7
524.31067	1.0
525.30566	0.6
542.32391	2.5
543.17078	33.2
543.24249	2.6
543.32678	2.2
544.17493	6.6
544.27429	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	543.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44647	1.1
55.01869	1.1
59.01385	4.8
62.20311	1.1
66.81195	1.2
68.99838	2.5
69.81335	5.1
69.81744	2.8
71.01379	6.4
72.99335	2.2
73.02955	1.8
74.02468	2.2
75.00879	2.2
79.95803	1.2
83.01393	21.6
85.02974	2.1
87.00911	3.2
88.04047	2.3
89.02484	2.6
93.03458	15.5
94.03795	1.6
94.98132	1.3
96.96027	10.5
98.20605	2.2
98.95580	1.3
99.00895	6.6
101.02428	2.0
111.00906	4.4
113.02489	1.4
113.07233	1.9
115.00385	16.5
115.92112	1.3
116.05049	1.9
116.92903	5.6
117.03475	5.6
119.05039	13.4
120.00356	1.1
121.02982	1.9
121.06619	1.8
123.04522	1.4
127.00370	3.6
127.05124	1.8
128.03505	3.1
129.01971	1.5
129.10344	1.3
131.05075	1.9
133.01436	4.4
133.02988	3.4
133.06612	99.0
134.03735	2.9
134.06949	5.3
135.04541	4.2
137.02463	2.2
139.00381	7.1
143.05022	2.2
145.02972	11.8
145.06633	7.2
147.04535	11.9
149.06120	11.9
151.00421	1.9
156.05891	1.6
157.01443	4.7
158.03748	2.1
159.04561	7.6
161.02460	2.4
161.04817	1.3
161.06137	4.8
165.05568	5.3
171.04543	4.5
171.08167	4.5
172.05252	1.7
173.06084	7.2
175.02507	2.6
175.07610	1.6
177.05583	50.8
178.05940	2.7
179.03554	2.2
185.06171	2.4
187.04077	8.0
187.07681	7.5
188.07112	2.0
189.05621	5.8
191.07167	2.1
193.05087	8.1
203.07260	2.6
207.06793	1.5
213.05624	1.9
214.06270	1.6
215.03572	2.5
215.07181	15.1
217.05028	19.3
221.04559	100.0
222.04907	7.4
231.06656	4.1
233.08206	2.3
241.05208	2.1
243.03008	3.8
259.06119	7.0
261.04034	33.4
262.04410	3.1
275.05664	11.5
277.07217	4.8
303.05115	42.2
304.05371	4.4
321.06161	50.9
322.06461	4.3
327.08795	2.9
365.08670	6.0
377.12097	1.6
383.09857	44.5
384.10223	5.8
421.11481	3.6
423.09235	3.0
428.13342	2.2
434.13968	1.3
437.11014	2.6
455.11716	2.1
465.10382	50.9
466.10788	7.3
483.11517	5.0
483.20862	1.3
499.25259	2.9
543.08734	2.3
543.27167	3.7
544.27203	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	541.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34704	1.7
59.01379	100.0
61.98830	28.3
66.87933	1.8
71.00989	4.3
71.01385	87.8
71.05049	1.9
73.02950	10.8
83.01385	4.6
85.02930	4.3
87.00893	3.9
87.04562	3.4
89.02435	5.1
89.06088	4.0
96.95998	5.2
99.85950	2.0
101.02465	13.0
110.48765	2.0
113.02470	8.9
121.02966	5.4
125.02501	1.9
143.03442	2.2
180.94839	1.8
233.10176	3.3
291.08664	5.0
381.11935	25.2
382.12149	3.3
423.12738	8.2
476.70691	2.2
521.99982	2.5
541.33105	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	541.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
57.03434	1.8
58.00591	1.7
59.01381	50.1
60.01697	0.6
61.98825	7.4
69.03465	1.1
70.48235	1.3
71.01387	29.4
72.99303	1.8
73.02960	6.2
78.95912	1.4
83.01403	4.1
85.02959	10.6
87.00886	3.3
89.01915	1.0
89.02451	18.3
95.01415	2.0
96.96021	1.6
97.02956	1.6
98.19942	1.1
99.00887	5.7
99.04515	0.9
101.02455	31.2
111.00878	0.7
113.02461	12.2
119.03527	9.3
125.02451	2.0
131.03439	0.8
143.03503	3.5
161.04498	2.2
161.92313	0.7
179.05597	4.3
179.14659	0.7
185.04575	2.7
214.12308	0.8
221.06853	0.7
263.07901	1.0
319.21249	6.7
320.21323	1.0
481.26526	100.0
482.26825	14.4
541.23743	1.2
541.31769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	14.5
71.72276	3.6
76.25612	1.7
78.95909	26.9
96.96011	3.7
98.00105	1.6
111.43826	1.6
120.24972	1.6
127.77258	2.0
140.01190	6.3
152.99617	2.4
196.03865	10.9
214.04816	3.5
241.21695	2.2
279.23294	100.0
280.23645	11.4
328.80566	2.3
476.27850	71.1
477.28336	11.7
491.70963	1.8
539.25153	3.5
539.33008	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	540.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52022	0.3
57.03444	0.4
58.00610	0.6
59.01379	6.9
61.98811	0.5
63.96225	0.5
64.97025	0.7
65.73575	0.4
70.05421	0.7
70.05830	1.7
71.01383	6.3
72.99313	0.7
73.02962	2.1
74.99105	5.2
75.00860	0.4
78.95929	2.2
79.95746	12.9
80.96522	2.5
83.01399	1.0
85.02950	1.3
86.99140	0.4
87.00897	1.2
88.51770	0.3
89.00674	3.7
89.02452	7.3
95.95245	38.4
96.96023	100.0
98.99133	0.7
101.02457	3.7
104.87772	0.4
113.02461	1.6
115.00375	0.7
117.00181	4.8
119.03550	0.5
119.05022	0.9
126.78313	0.3
127.05163	0.3
127.92463	0.5
128.03458	0.4
128.93217	0.6
129.00171	1.2
131.03540	2.2
133.01433	1.2
133.79298	0.3
134.04773	0.4
138.97137	0.5
148.01799	0.3
149.04568	1.5
158.92554	0.5
163.04001	0.6
166.03345	2.2
179.03445	0.4
185.08055	0.4
188.62593	0.4
191.05632	6.4
212.00385	0.9
268.56287	0.3
272.95642	0.4
391.05560	1.4
407.03162	0.7
539.27081	0.5
540.08484	65.9
541.08716	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	539.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15306	1.6
57.93361	2.0
59.01369	2.4
59.05828	2.4
61.98834	12.0
64.33997	1.8
69.46106	19.1
78.95910	11.2
79.95747	3.0
80.96545	4.5
96.95981	3.8
98.20599	3.1
129.02832	1.8
134.04686	2.2
140.01163	2.6
153.98915	2.4
196.03722	2.3
200.18390	1.8
214.04802	2.8
279.23288	100.0
280.23663	10.8
476.27899	39.0
477.28195	7.9
481.15103	4.8
539.24976	2.8
540.16327	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03446	2.6
58.00596	2.2
59.01381	100.0
60.01720	1.4
61.35816	0.5
61.98830	12.8
63.08611	0.6
64.14751	0.6
69.03466	0.7
69.58205	5.6
71.01387	29.5
72.99329	1.3
73.02950	17.3
73.03339	1.3
74.03335	0.6
77.86161	0.5
78.95927	2.1
80.96530	0.6
83.01394	6.8
83.05058	0.9
85.02964	7.8
87.00905	2.7
88.98826	1.4
89.02451	12.3
95.01420	1.3
96.96010	0.8
97.02995	1.6
97.18460	0.5
98.19875	0.9
99.00889	1.7
99.04553	1.1
100.11093	0.5
101.02457	24.2
109.02951	0.6
111.00926	0.7
113.02469	11.4
115.00417	1.0
119.03532	4.4
123.04585	1.0
123.08194	0.8
125.02462	1.5
125.09752	0.9
131.03517	1.9
135.04561	0.7
135.08122	0.9
143.03526	2.2
147.60820	0.6
149.04610	1.7
151.07701	2.2
161.04593	5.0
164.08440	2.0
167.10867	0.6
175.02498	1.1
179.05675	2.1
207.32512	0.7
263.96420	0.5
291.19797	2.7
337.20398	1.0
417.23001	1.4
435.23859	13.7
436.24292	2.6
453.24948	20.8
454.24994	3.4
481.28250	2.2
495.26062	13.4
495.33627	0.9
496.26486	2.1
497.26221	1.2
503.57236	0.7
507.34714	1.0
508.17294	0.9
539.33099	8.0
540.32947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03448	2.9
58.00597	1.5
59.01380	100.0
60.01706	1.4
60.99318	0.7
61.98832	14.6
69.03462	1.3
71.01387	32.6
72.01740	0.8
72.99319	3.0
73.02952	17.9
75.00848	0.6
78.95925	1.4
83.01398	7.2
83.05040	0.5
85.02958	7.7
86.00138	0.7
87.00903	2.3
87.04559	0.7
88.98826	2.7
89.02454	12.0
95.01417	2.1
96.96014	1.0
97.02969	1.1
97.06588	0.6
98.19920	1.4
99.00910	1.7
99.04539	2.0
101.02454	22.7
102.02834	0.6
113.02469	13.5
114.02834	0.7
115.00414	1.6
119.03516	4.8
123.04548	0.7
123.08212	0.8
125.02502	2.0
125.06144	0.6
125.09789	1.1
131.03569	2.0
131.06271	0.6
133.01474	1.1
134.06128	0.7
135.04572	1.4
137.06174	0.6
143.03513	2.6
149.04619	2.0
151.07693	1.7
161.04579	4.8
164.08504	1.8
165.09187	0.6
168.58572	0.5
175.02563	0.8
178.05119	0.5
178.60497	0.5
179.05626	1.9
210.83759	0.5
255.17654	0.7
273.18741	0.7
291.19754	3.4
295.19290	0.8
337.20059	1.1
337.79614	0.6
417.23047	0.9
435.23883	15.8
435.29562	0.8
436.24393	2.6
439.27350	0.7
453.24982	21.6
454.25293	2.9
464.18250	0.8
481.28369	2.2
495.25961	12.0
496.26620	2.3
497.26254	1.2
507.34384	1.3
508.18292	0.7
538.32697	0.9
539.21753	1.1
539.33154	7.9
540.19965	0.7
540.33221	1.4
547.01440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
56.68568	1.1
57.03440	5.3
58.02727	1.5
58.02979	17.6
59.01383	45.2
59.56308	1.0
61.98838	32.9
69.72649	3.9
69.73061	4.3
70.02977	12.0
71.01389	35.0
72.99313	3.4
73.02942	5.7
75.00864	2.5
78.95903	3.4
79.21788	1.1
83.01379	4.4
85.02969	10.1
86.02505	1.4
87.00878	18.7
87.04506	2.6
87.05642	2.5
88.98787	3.0
89.02462	11.0
93.03483	1.2
95.02546	1.7
96.00935	16.2
96.96021	3.0
99.00898	1.4
101.02454	12.0
111.00864	3.2
111.05639	2.7
112.04038	4.9
112.98817	2.0
113.02457	9.5
113.03589	17.0
114.01989	21.6
115.00390	36.3
119.03494	2.7
119.04996	1.4
120.01252	1.1
120.99653	2.1
125.02477	1.4
128.03601	1.6
129.06693	2.4
131.03639	2.5
131.04645	33.4
133.01442	5.0
135.02980	1.2
135.04510	3.9
135.08194	1.3
139.00409	1.6
143.03482	1.7
143.04570	1.6
154.99889	2.7
155.04643	20.4
157.01431	5.1
161.04601	2.0
161.09708	1.5
173.05696	7.4
175.02509	51.6
176.02827	1.4
196.04314	1.2
207.01495	1.1
207.10323	3.1
215.51601	1.1
303.21512	2.0
319.16809	1.9
337.17636	4.3
363.15625	2.9
377.29257	6.7
381.16678	15.4
382.16824	1.9
391.27136	2.1
423.17758	1.7
424.16031	1.5
477.10388	1.3
479.24786	7.0
481.13608	2.3
497.25729	4.3
521.17603	4.8
522.16364	4.1
538.33508	2.3
539.18781	100.0
539.34460	37.2
540.19214	18.9
540.26923	2.1
540.34784	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	539.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
56.68568	1.1
57.03440	5.3
58.02727	1.5
58.02979	17.6
59.01383	45.2
59.56308	1.0
61.98838	32.9
69.72649	3.9
69.73061	4.3
70.02977	12.0
71.01389	35.0
72.99313	3.4
73.02942	5.7
75.00864	2.5
78.95903	3.4
79.21788	1.1
83.01379	4.4
85.02969	10.1
86.02505	1.4
87.00878	18.7
87.04506	2.6
87.05642	2.5
88.98787	3.0
89.02462	11.0
93.03483	1.2
95.02546	1.7
96.00935	16.2
96.96021	3.0
99.00898	1.4
101.02454	12.0
111.00864	3.2
111.05639	2.7
112.04038	4.9
112.98817	2.0
113.02457	9.5
113.03589	17.0
114.01989	21.6
115.00390	36.3
119.03494	2.7
119.04996	1.4
120.01252	1.1
120.99653	2.1
125.02477	1.4
128.03601	1.6
129.06693	2.4
131.03639	2.5
131.04645	33.4
133.01442	5.0
135.02980	1.2
135.04510	3.9
135.08194	1.3
139.00409	1.6
143.03482	1.7
143.04570	1.6
154.99889	2.7
155.04643	20.4
157.01431	5.1
161.04601	2.0
161.09708	1.5
173.05696	7.4
175.02509	51.6
176.02827	1.4
196.04314	1.2
207.01495	1.1
207.10323	3.1
215.51601	1.1
303.21512	2.0
319.16809	1.9
337.17636	4.3
363.15625	2.9
377.29257	6.7
381.16678	15.4
382.16824	1.9
391.27136	2.1
423.17758	1.7
424.16031	1.5
477.10388	1.3
479.24786	7.0
481.13608	2.3
497.25729	4.3
521.17603	4.8
522.16364	4.1
538.33508	2.3
539.18781	100.0
539.34460	37.2
540.19214	18.9
540.26923	2.1
540.34784	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	537.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86312	3.0
54.35717	3.0
59.01377	6.7
61.98828	33.6
64.50131	2.7
68.86480	2.7
71.73821	3.6
71.74241	3.7
74.28221	3.1
78.95918	29.3
79.95740	5.4
84.28410	3.0
93.49625	3.0
96.96039	11.2
117.65396	2.8
128.03476	2.9
140.01257	7.6
152.99530	4.5
192.86435	3.3
196.03844	11.5
214.04941	3.5
223.39680	2.9
251.22720	3.2
277.21738	100.0
278.22043	14.4
310.77960	2.9
351.81912	3.1
372.85043	2.8
474.26254	93.9
475.26425	14.4
537.29962	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3277
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01866	0.7
57.03441	1.4
58.00579	0.6
59.01379	13.0
60.01717	0.2
61.98832	1.4
63.66159	0.2
65.81496	0.1
68.25965	0.2
69.03465	0.3
71.01386	8.1
71.05026	0.2
72.99308	0.7
73.02939	1.5
75.00875	0.2
80.57775	0.2
83.01376	1.5
85.02959	2.7
87.00871	0.7
87.04511	0.3
89.02451	3.6
95.01395	0.7
97.06601	0.3
98.19836	0.4
99.00861	0.4
101.02452	4.8
109.06622	0.2
113.02458	2.1
115.00356	0.6
119.03517	1.2
123.08167	0.6
125.02448	0.2
125.09706	0.2
135.04457	0.2
135.08209	0.3
139.11246	0.4
141.12901	0.2
143.29942	0.2
153.09244	0.3
153.12878	0.2
154.99881	0.4
157.12357	1.1
169.12335	1.3
175.02475	0.4
185.11867	1.2
215.12877	0.8
229.79904	0.2
251.20163	0.5
255.92981	0.2
311.22308	0.6
327.25385	0.4
329.23270	1.1
339.25394	0.9
355.24994	0.3
357.26471	12.0
358.26810	1.6
373.25955	1.1
374.26349	0.2
375.27509	24.8
376.27817	3.4
381.11682	0.2
389.28674	0.2
417.28360	0.2
433.27954	0.2
471.32361	0.2
505.33078	0.3
519.31812	1.1
520.32391	0.3
537.32727	100.0
538.33087	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	539.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72066	1.0
53.70702	1.0
55.01877	1.6
57.03441	3.0
58.00582	1.9
59.01381	57.9
61.98518	1.7
61.98833	31.4
62.80898	1.3
70.59390	1.0
71.01390	33.9
71.02405	2.2
71.02763	2.2
72.01711	2.3
72.99303	4.9
73.02951	8.4
74.76215	1.1
75.00876	1.1
78.95898	3.5
81.15337	1.1
83.01403	8.4
83.05032	2.9
85.02955	14.3
87.00880	34.0
89.02469	7.9
95.01375	2.0
96.96017	4.8
97.02943	1.2
97.06605	1.4
99.00903	3.0
99.04490	1.6
101.02466	11.6
111.00891	5.6
113.02463	11.0
113.03201	1.3
113.03528	1.0
115.00387	65.2
116.00726	1.3
119.03540	2.5
123.08167	1.9
125.06152	1.4
125.09706	1.7
128.03471	1.2
129.01965	2.2
131.03496	1.6
133.01456	2.2
135.11795	4.8
139.00397	7.9
143.03539	1.3
149.09758	1.8
154.99843	1.1
156.91103	1.2
157.01436	10.6
161.04565	2.4
161.09702	4.9
175.02496	100.0
175.11319	1.2
176.02811	3.6
179.05710	2.4
179.10786	12.6
180.11021	1.8
195.91573	1.0
223.09914	2.4
226.91132	1.1
243.99353	1.1
252.42508	1.0
257.12952	1.2
262.84244	1.2
337.12796	2.2
363.10840	3.1
381.11929	62.2
382.12338	6.6
418.17868	1.6
423.12994	6.0
507.33743	1.8
508.17136	1.4
538.33301	7.0
539.13983	49.9
539.32959	10.2
540.06354	2.1
540.14288	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	537.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23547	3.0
50.48717	3.0
51.87557	2.9
59.01390	7.2
61.98824	26.6
62.36104	3.2
63.12061	3.5
71.72208	4.4
78.95919	10.5
79.95757	7.1
96.96028	10.9
113.99612	20.8
121.17775	3.3
140.01147	3.6
145.38129	3.3
200.78670	3.1
211.43680	3.5
214.04930	4.1
229.35277	3.2
277.21713	100.0
278.22144	10.9
474.26282	39.1
475.26654	6.9
537.28687	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33037	0.7
52.39423	0.5
55.01880	0.6
58.00579	1.0
59.01381	33.4
60.01704	0.8
61.98832	8.2
63.60910	0.6
69.37933	5.4
69.38347	1.8
71.01386	25.7
72.99310	2.6
73.02950	2.4
73.54960	0.7
74.02496	0.7
83.01382	1.8
83.13297	0.6
85.02588	0.6
85.02974	7.2
87.00877	2.2
88.98807	0.9
89.02456	29.8
93.03460	1.1
95.01369	1.6
96.00932	0.7
96.95995	1.1
99.00835	0.9
101.02450	15.3
102.02802	1.0
103.95494	0.6
107.43892	0.7
108.02184	1.5
109.02975	13.9
112.98790	1.1
113.02466	9.2
115.00381	3.3
116.92888	0.6
119.02746	1.0
119.03522	10.7
119.04955	1.2
120.01247	1.6
121.03001	4.3
121.03734	0.7
122.03789	3.1
123.00838	1.0
123.04562	1.3
125.02437	0.9
127.05164	0.8
128.03569	1.3
130.06235	0.9
131.03531	3.6
133.01466	4.4
133.02988	0.8
134.03787	1.1
135.04532	6.2
136.01686	11.6
137.02487	1.7
143.03520	1.2
145.02968	1.5
146.03764	4.0
147.04520	1.3
149.02475	17.0
149.04520	6.5
150.03255	14.2
151.04045	14.0
159.03302	0.6
159.04549	2.5
160.05347	2.0
161.04601	2.6
161.06105	2.4
163.04005	2.5
164.04822	5.6
165.05600	19.4
166.05928	1.0
171.04572	1.4
172.05272	1.9
175.03990	4.7
176.04799	4.8
179.03561	1.9
179.05624	4.0
179.07175	3.2
180.04248	1.1
187.03999	2.6
188.04803	2.1
189.05605	5.0
190.06400	4.8
191.01997	1.0
191.05656	0.9
191.07173	6.7
193.05072	0.8
195.06631	15.7
196.07001	0.9
202.06395	3.0
203.07098	1.2
209.02983	1.9
235.07529	0.7
239.07137	0.6
251.07149	3.3
261.05530	0.9
262.06339	0.9
263.07129	2.3
265.08652	0.8
266.05862	1.3
267.06583	7.6
268.07141	1.3
278.05881	1.7
278.09424	0.8
279.06635	11.4
280.07288	1.8
281.08224	1.3
282.08948	4.3
283.09720	1.4
293.08276	2.2
294.08972	7.0
295.09607	1.5
297.07724	3.0
297.11334	11.1
298.11584	1.8
308.10477	0.9
309.07703	1.9
309.11282	3.4
312.06326	0.9
312.10034	19.0
313.10583	2.1
315.12430	1.6
323.09360	1.6
324.10074	5.2
325.10300	0.9
327.12381	100.0
328.12714	13.3
331.12805	0.8
339.12375	32.7
340.12732	5.0
345.13409	9.6
346.13834	1.7
357.13397	14.7
358.13684	1.8
366.71976	0.6
375.14572	13.7
376.14746	1.8
421.10980	1.6
447.14243	0.8
477.23462	4.0
493.22498	1.8
519.18604	0.8
537.18597	9.5
537.25671	5.2
538.19293	3.6
562.22363	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24964	0.6
55.01882	1.2
57.03450	1.8
58.00567	0.6
58.02972	0.9
59.01381	100.0
60.01715	1.6
60.99310	1.5
61.98832	96.9
71.01383	17.8
71.73351	1.0
72.99301	1.6
73.02944	6.8
74.02483	0.7
78.95923	0.6
83.01387	3.4
85.02960	5.1
85.78751	0.6
87.00882	1.9
88.98811	9.1
89.02445	8.7
93.03454	0.7
95.01363	0.9
96.00907	1.3
99.00866	1.1
101.02458	12.8
113.02467	9.2
114.02003	0.7
114.02745	0.9
115.00335	1.2
119.03469	2.7
125.02342	0.7
128.03511	1.9
131.03493	1.0
131.04575	1.3
132.46951	0.7
133.01367	1.0
135.04416	0.7
137.09651	2.3
140.30396	0.6
143.03502	1.4
149.04466	1.2
154.99872	3.8
155.04607	1.2
159.02969	0.6
161.04596	4.9
175.83562	0.6
179.05460	2.1
190.22244	0.6
205.12209	0.7
207.13875	3.1
221.06624	1.0
225.14983	4.5
255.02629	0.8
271.02316	0.8
300.02365	2.1
301.03024	2.0
369.19125	10.7
370.19098	1.3
381.15909	1.9
387.20294	6.1
388.20212	0.8
389.24539	0.8
418.21304	1.0
429.21295	18.9
430.20816	2.7
447.09518	4.3
535.30261	1.1
536.22870	0.8
537.20801	4.4
537.31580	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	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03453	1.9
59.01379	42.8
59.09241	0.8
61.92664	0.8
61.98833	34.9
69.03455	0.8
71.01386	17.1
71.21010	1.2
71.21323	1.0
72.99301	1.9
73.02950	5.1
75.01804	0.8
78.95919	1.9
81.03429	0.8
83.01402	3.4
85.02947	7.2
87.00894	4.5
89.02446	3.8
95.01394	1.8
97.02945	1.1
99.00903	1.4
101.02466	10.5
111.00858	0.9
112.98836	3.3
113.02480	5.6
115.00429	1.9
119.03574	1.1
124.01637	1.0
125.02453	1.4
133.01419	1.5
149.06036	0.9
154.99886	1.3
161.04555	1.4
185.87599	0.9
223.10646	0.8
269.21255	2.1
287.22272	27.3
288.22617	2.7
313.23859	2.0
348.00150	0.8
431.26501	14.6
432.26929	2.0
449.27545	35.8
450.28040	5.3
473.26993	1.2
475.28842	2.1
491.28592	100.0
492.28937	15.6
535.31445	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	536.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68362	0.4
55.01882	1.5
56.33867	0.4
57.03452	2.0
58.00588	0.4
58.02984	1.3
58.20668	0.4
59.01381	82.3
60.01719	1.4
60.99308	1.7
61.98832	100.0
63.99286	0.4
68.58752	0.3
69.03472	0.5
69.80688	1.3
69.81120	1.5
70.02975	1.1
70.58545	0.3
71.01385	14.3
72.99311	1.0
73.02950	5.7
74.02443	0.5
75.00901	0.4
78.95912	0.9
83.01403	3.3
85.02971	5.2
87.00883	1.9
88.98819	10.4
89.02454	6.1
90.74496	0.4
95.01408	1.0
96.00914	0.9
96.96973	0.8
97.02980	0.7
97.06590	0.7
99.00879	1.3
101.02459	9.3
111.00877	0.6
113.02453	8.2
113.03585	1.2
114.01995	0.9
114.02792	0.4
115.00349	1.3
117.81882	0.4
119.03516	2.6
123.87486	0.4
125.02477	0.9
127.05154	0.6
128.03529	0.7
131.03587	0.7
131.04633	1.5
133.01430	0.6
135.04503	0.7
137.09753	3.7
143.03477	1.5
143.10759	0.5
145.01453	0.5
149.04529	1.2
154.99881	4.7
155.04616	0.6
159.02933	0.8
161.04591	6.5
162.02263	0.4
173.05690	0.5
179.03415	0.5
179.05498	1.3
189.12823	0.8
192.11459	1.1
207.12056	0.4
207.13892	6.7
208.14241	0.5
221.06566	1.1
225.14977	7.3
238.68933	0.4
265.50937	0.4
300.02557	1.2
330.50510	0.4
337.17386	0.9
369.19205	18.1
370.19537	2.5
375.27295	0.7
381.16632	2.5
387.20242	4.9
388.20285	0.8
418.15790	0.4
429.21295	15.3
430.21555	2.6
447.09348	2.8
447.14932	0.5
464.42465	0.4
476.28708	0.5
477.30005	1.0
536.30780	0.9
537.22388	0.8
537.31995	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	534.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59600	0.1
53.33025	0.1
57.03464	0.1
58.99276	0.1
59.01378	2.8
59.19250	0.1
60.01699	0.1
61.98832	100.0
62.98534	0.2
62.99249	0.1
67.36113	0.1
71.01383	0.9
72.99329	0.1
73.02948	0.5
83.01392	0.2
85.02962	0.3
87.00890	0.3
89.02454	0.3
95.01393	0.1
96.96006	0.1
96.97042	0.1
98.20650	0.1
99.00890	0.1
101.02450	0.6
113.02478	0.3
115.00408	0.3
119.03487	0.1
154.99916	0.1
161.04652	0.2
173.37880	0.1
175.02515	0.1
179.05583	0.1
186.12503	0.2
198.04080	0.1
210.12497	0.3
211.83142	0.1
228.13510	0.3
294.21432	0.1
313.11877	0.2
355.24829	0.1
373.21793	0.1
375.27536	0.1
376.27747	0.4
394.84540	0.1
427.25433	0.7
428.25983	0.2
475.28992	0.1
493.30170	0.1
533.29865	0.1
534.29987	2.7
535.31128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77331	0.5
54.76913	0.4
57.03466	0.6
58.02975	6.5
58.03215	0.5
59.01378	12.8
59.01666	0.7
61.98831	18.4
69.97962	2.6
70.02980	22.9
71.01387	4.1
71.02499	5.7
71.02841	0.5
72.00920	1.1
73.02956	2.4
73.04071	9.6
73.04453	0.6
78.95920	0.5
82.01778	0.6
82.06643	0.8
83.01418	0.7
85.02990	1.3
86.02489	0.7
87.00851	0.5
89.02444	2.6
91.05560	0.5
95.02540	3.2
96.00919	16.1
97.04090	2.9
98.02483	5.0
99.02047	0.6
101.02449	3.6
108.08157	0.5
110.03606	2.8
111.02051	2.3
111.04403	0.6
112.07714	1.7
113.02460	2.0
113.03584	15.8
114.01984	45.7
115.00409	1.7
115.02354	1.4
115.05147	19.0
116.05103	1.9
119.03532	0.9
119.05076	1.3
120.01357	0.5
126.93636	0.5
129.10355	24.3
130.08778	0.7
130.10689	1.0
131.04643	33.2
132.04973	0.8
133.01451	1.7
135.04555	1.5
139.08789	1.4
141.10434	1.1
142.06218	0.6
143.11871	0.7
146.06137	21.2
147.06459	0.9
149.04602	0.5
150.08080	0.6
151.08795	7.6
152.04402	0.6
152.07213	2.8
153.05498	1.1
154.59683	0.5
155.08313	1.9
159.07832	1.1
161.04671	0.8
163.08812	1.5
164.04572	0.5
167.05757	0.8
167.10664	5.6
167.11949	4.2
168.11438	27.1
169.09871	1.2
169.11819	1.0
173.07207	1.1
173.11618	0.4
183.11432	0.9
185.44441	0.5
186.12494	17.7
187.12862	0.8
187.22379	0.4
189.06841	0.6
198.07956	2.6
199.08673	1.1
209.06789	3.1
210.12485	40.2
211.10867	2.8
211.12817	2.0
213.83171	0.5
217.09840	2.7
224.13008	0.7
228.13538	9.5
241.13446	17.8
242.11830	2.4
242.13947	1.1
258.16101	13.6
259.16611	1.2
260.10406	2.0
266.13776	3.2
276.17172	7.6
277.17609	1.3
278.11435	1.4
300.02701	0.8
315.18228	5.2
316.18958	0.5
333.19308	3.9
357.19263	14.0
358.19757	1.8
372.11685	0.8
375.20374	61.5
376.20642	7.7
401.22000	1.2
427.19781	1.4
446.24066	1.4
450.61090	0.6
472.15271	0.9
472.22025	12.7
472.28378	0.6
473.22180	2.3
490.23047	100.0
491.23328	19.3
516.24835	3.6
534.25598	59.9
535.25781	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.5
59.38186	0.3
60.40154	0.3
61.98831	100.0
62.98549	0.4
69.84167	1.2
69.84599	1.2
71.01389	2.0
73.02951	0.5
78.95914	0.4
83.01423	0.6
85.02959	0.6
87.00885	0.4
88.00398	0.6
89.02449	0.9
101.02452	1.0
101.34966	0.3
108.08215	0.4
113.02480	0.5
119.03563	0.4
132.42126	0.3
180.36819	0.3
191.85097	0.3
211.13408	0.4
227.82469	0.3
290.61755	0.4
291.19818	0.3
471.26141	4.6
472.26553	0.7
491.28375	1.7
496.98608	0.4
535.31470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12444	0.8
52.13550	0.9
55.01880	1.5
58.00593	1.4
59.01378	100.0
60.01701	1.2
61.98832	82.8
69.03467	2.2
69.81894	5.2
71.01388	27.6
71.01763	1.7
73.02954	37.0
76.15524	0.9
80.79362	0.8
81.03477	1.1
83.01402	9.0
85.02956	4.6
87.00877	1.7
88.30264	1.2
89.02451	10.7
101.02457	40.0
102.02768	2.0
113.02464	15.1
115.00456	0.9
119.03506	5.3
123.08214	0.9
125.02553	1.0
131.03542	3.5
132.98384	0.9
136.05310	0.9
138.06894	2.4
139.07655	2.0
143.03543	5.7
149.04565	9.8
151.07666	3.4
152.08463	4.9
153.09238	22.5
154.09641	1.8
161.04564	20.2
162.05043	1.1
179.05615	2.0
187.11270	1.2
203.05698	3.0
205.12352	16.3
206.12720	2.1
221.06662	7.6
223.13431	7.4
367.17642	9.7
385.18631	3.8
389.42816	0.8
427.19717	23.9
428.20047	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	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03457	0.9
58.00583	1.2
59.01380	100.0
60.01709	1.1
61.60326	0.9
61.98830	95.4
69.03454	1.2
70.68913	0.8
71.01385	32.3
72.99307	1.2
73.02950	43.3
82.42256	0.9
83.01392	13.0
85.02943	4.8
87.00877	1.2
89.02450	13.1
95.01414	1.1
96.39816	0.8
96.87741	0.9
98.19889	3.7
101.02455	48.1
102.02795	1.1
113.02468	16.2
119.03491	8.2
125.02482	1.4
129.01915	0.9
131.03532	3.8
143.03546	5.2
147.08298	1.5
149.04572	9.7
153.09213	8.5
161.04575	18.3
179.05609	1.2
187.11256	1.5
203.05681	2.0
205.12372	13.6
218.74646	0.8
221.06618	5.5
223.13356	2.8
230.32565	1.0
259.75607	1.0
289.24649	1.1
309.78470	0.8
311.16364	0.9
352.74152	0.9
367.17630	12.5
368.17984	2.2
385.18704	13.8
386.18829	1.1
427.19720	40.3
428.20114	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	534.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03450	1.2
58.00597	0.5
59.01380	41.0
60.01713	0.6
61.98831	100.0
62.37039	0.2
68.99844	0.4
69.03462	0.4
71.01385	13.5
71.72450	0.4
72.99319	0.7
73.02534	0.4
73.02950	7.8
75.00860	0.3
78.95916	0.5
83.01398	3.3
85.02962	4.3
85.06599	0.4
87.00889	1.3
87.04496	0.3
88.98805	0.3
89.02446	5.5
95.01395	0.9
96.00900	0.3
97.02960	0.4
99.00886	0.9
101.02454	12.6
102.02795	0.3
106.06650	0.3
111.00873	0.4
113.02464	6.0
113.03633	0.3
114.02806	0.3
115.00383	1.4
116.92911	0.3
119.03545	2.3
119.05008	0.7
120.01263	0.4
125.02426	0.8
125.03529	0.5
127.05159	1.3
128.03558	2.4
129.02022	0.4
129.03836	0.3
130.08698	0.6
131.03529	1.3
133.01407	1.0
134.03734	0.4
135.02943	0.3
135.04553	0.5
136.01614	0.3
143.03513	1.4
143.04530	0.4
143.10783	0.5
146.87228	0.2
149.04611	1.8
149.05769	0.4
149.09726	0.3
151.04021	0.3
151.07587	0.4
153.09264	1.2
154.99904	1.5
159.02991	0.3
161.04584	4.4
161.05927	0.4
163.03912	0.4
167.10764	0.4
175.02437	0.9
175.03949	0.6
175.07558	0.9
177.12787	1.0
178.06259	0.4
179.05626	0.6
180.06625	0.7
186.12367	0.3
187.13405	0.4
190.09929	0.4
201.15062	0.2
203.05562	0.3
204.12526	0.3
205.12344	18.3
206.12668	1.6
210.08768	0.3
221.06558	1.3
223.13300	0.4
236.16409	0.4
285.03992	0.3
296.18683	0.3
301.23676	0.5
313.23633	0.6
320.09216	1.6
321.09308	0.4
322.09024	1.4
331.24969	2.1
355.24872	1.5
367.17661	1.8
373.25470	0.6
385.18341	0.6
419.11826	0.3
427.19839	1.8
428.19812	0.3
431.26416	1.3
449.27136	0.6
473.27310	0.3
474.27350	0.8
475.29169	14.9
493.30237	5.1
505.18100	0.6
517.29547	0.5
533.28827	0.5
534.29901	3.3
535.18671	0.4
535.31299	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	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03451	1.8
58.00587	1.1
59.01381	95.3
60.01717	1.8
61.98833	100.0
69.03462	0.9
70.47711	2.4
71.01390	30.1
72.01731	0.6
72.95549	0.6
72.99307	1.3
73.02955	27.5
74.02470	1.3
74.03285	0.7
75.00880	0.7
75.92868	0.6
83.01403	10.0
85.02952	6.4
87.00883	1.7
88.98812	1.1
89.02456	12.5
95.01407	1.0
97.02954	1.6
99.04534	0.8
101.02458	32.1
102.02702	0.7
113.01698	0.8
113.02464	13.1
113.06094	1.4
115.00365	1.9
116.92865	2.3
119.03529	6.5
122.09748	0.9
122.77705	0.6
123.08168	1.5
125.02434	1.9
125.06115	0.7
127.05121	0.9
128.03513	2.3
130.08656	0.7
131.03529	3.8
133.01407	2.3
135.04433	1.1
136.05293	0.7
138.06902	5.3
139.07614	2.1
143.03487	4.6
143.04509	1.0
146.04503	0.7
149.04596	8.4
149.05862	1.0
151.07680	5.1
152.08458	9.0
153.09238	34.3
154.09499	1.8
161.04575	13.7
162.04855	1.0
165.09160	1.1
166.08673	2.1
167.07047	0.8
175.02490	0.8
179.05521	1.6
179.10704	0.8
180.10141	0.6
187.11255	1.0
189.09055	0.8
190.09904	0.8
203.05646	3.0
205.12350	15.8
206.12584	1.7
221.06680	5.6
223.13391	10.7
224.13570	0.8
278.33334	0.7
306.07336	1.8
367.17590	14.1
368.17432	1.7
370.14505	1.2
385.18597	4.6
427.19730	23.9
428.20068	4.3
534.24292	2.3
534.32025	1.6
535.24207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03449	0.9
58.00602	1.0
59.01381	97.2
60.01716	2.1
61.98833	100.0
69.03465	1.4
70.33063	2.4
70.33448	1.1
71.01386	29.6
72.99303	1.1
73.02953	28.3
74.03313	0.9
78.95899	0.6
81.03452	0.6
83.01395	10.3
84.38767	0.6
85.02960	6.2
87.00910	1.7
89.02450	10.2
95.01379	1.5
96.84560	0.7
97.02965	1.7
99.00909	1.2
99.04537	0.7
99.53587	0.6
101.02457	30.2
102.02789	0.9
102.05722	0.8
104.62679	0.6
108.05846	1.2
113.02467	14.3
115.00381	1.2
116.92878	1.8
119.03521	6.1
122.09745	2.2
123.08153	1.4
125.02458	1.3
125.06099	0.9
128.03563	1.8
131.03557	3.3
133.01434	2.0
135.04535	1.1
136.05296	1.1
137.09612	0.7
138.06892	5.1
139.07623	1.9
143.03539	4.6
149.04588	8.4
149.05751	1.1
150.04825	0.8
151.07646	6.0
152.04881	0.8
152.08452	10.1
153.09236	36.5
154.09578	2.2
155.03432	0.7
161.04584	15.3
161.09859	0.8
163.11307	0.7
166.08752	3.9
179.05576	2.4
187.11261	1.2
190.04932	0.8
203.05646	4.0
205.10510	1.1
205.12337	17.8
206.12596	1.9
221.06679	6.9
223.11330	0.9
223.13390	14.2
224.13681	1.3
306.07465	0.9
367.17651	13.7
368.17792	1.9
370.14896	1.4
373.13092	0.7
385.18622	6.1
386.18668	1.1
427.19742	26.1
428.20111	4.6
431.23016	0.8
534.25269	1.2
535.24469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2966
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01878	0.9
56.65495	0.2
57.03450	1.6
58.00603	0.6
59.01380	52.1
60.01725	0.5
61.98832	75.2
62.76814	0.3
69.45406	2.6
69.45817	0.5
71.01387	16.8
71.05049	0.4
72.01737	0.4
72.99317	1.5
73.02952	5.4
74.03295	0.3
75.00891	0.5
78.95911	0.4
83.01398	3.2
83.05022	0.4
85.02960	8.0
85.06607	0.3
86.00113	0.6
87.00885	8.5
87.04550	0.3
89.02457	4.5
95.01411	1.3
96.46922	0.3
96.96026	0.9
97.02975	0.5
97.06607	0.7
99.00869	1.6
101.02460	10.4
102.02776	0.3
102.36404	0.3
111.00891	0.7
113.02472	5.8
115.00388	5.2
116.23759	0.2
119.03520	1.5
120.01170	0.4
120.08212	0.3
123.08187	0.7
125.02522	0.3
129.01949	0.8
131.03543	0.5
133.01451	0.4
135.04517	0.8
139.00385	0.3
139.07669	0.9
143.03539	0.4
143.10753	0.3
148.46008	0.3
149.04575	0.3
151.11264	0.3
153.09251	0.4
154.99800	0.4
157.01443	0.5
157.12358	0.3
159.03030	0.7
161.04578	2.6
167.10800	0.3
169.12387	0.3
171.10324	0.3
175.02487	1.0
185.11888	0.9
185.88918	0.3
221.06552	0.3
221.15508	0.9
250.15765	1.2
272.84567	0.3
275.20193	1.1
293.21097	1.8
294.21805	0.3
311.22293	1.6
313.12000	0.6
313.24200	0.4
329.23376	1.4
357.26486	1.1
371.24435	0.4
373.25870	0.6
375.27502	16.0
376.27811	1.9
383.24478	0.8
417.28598	0.4
427.20026	0.3
427.25516	0.6
447.25916	0.6
455.26477	0.4
473.26868	1.7
486.76059	0.3
489.27231	0.9
491.28568	1.0
515.28589	0.6
533.29608	100.0
534.29993	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	533.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
58.00592	0.4
59.01384	16.8
60.01710	0.5
61.98835	31.2
69.03470	0.3
71.01392	8.3
71.73729	0.7
72.01745	0.3
72.99319	0.9
73.02952	2.2
75.00868	0.6
83.01404	0.7
83.05044	0.3
85.02972	1.5
85.71444	0.3
87.00881	0.8
88.98827	1.1
89.02464	5.1
90.84328	0.3
93.03471	0.4
95.01417	0.5
95.05092	0.3
96.96037	0.5
96.96945	0.3
97.06566	0.3
99.00923	0.7
99.04529	0.3
100.02661	0.3
101.02456	4.5
102.65194	0.3
105.89915	0.4
106.06659	0.3
109.02954	0.7
113.02468	2.7
113.26699	0.3
115.00381	2.6
116.92852	0.7
119.03517	2.2
119.05009	1.7
121.03021	0.5
122.06077	0.3
123.08219	0.4
128.03571	0.4
129.01965	0.3
130.08730	0.7
131.03549	0.5
133.01466	2.8
133.02992	0.4
134.03783	1.0
135.03018	0.6
135.04565	0.6
139.07721	0.4
143.03464	0.4
145.02992	2.3
147.04521	0.4
149.02556	0.3
149.04594	0.7
149.06152	0.6
150.03140	0.3
154.99907	0.5
161.04581	1.3
163.04057	0.9
164.04659	0.3
164.11406	0.3
175.02551	0.4
178.02675	0.5
179.03571	0.3
179.05612	0.9
179.07072	0.4
179.08659	0.3
179.10789	0.6
192.04204	0.4
193.05109	1.7
195.08279	0.5
203.10823	0.5
205.06706	0.3
205.12335	0.8
206.07391	0.6
207.06552	0.4
207.08183	2.6
209.06099	1.6
210.06500	0.3
219.08174	0.7
221.06345	0.5
221.11819	1.9
222.06851	0.4
222.12250	2.5
223.05867	0.4
223.07797	2.6
223.13533	0.4
233.06134	1.0
234.06783	1.8
235.07669	4.3
236.05119	0.3
236.08188	0.8
236.16501	0.8
238.10027	0.3
238.18149	0.5
239.07153	0.4
245.06171	0.4
246.06702	0.4
247.07512	0.5
249.05650	0.7
250.06352	0.8
251.07121	17.5
252.07538	1.8
256.19049	0.4
261.05405	1.4
262.06256	3.0
263.07108	8.3
264.07825	5.2
265.08545	1.2
267.06631	0.8
267.11414	0.4
276.08148	0.6
277.05194	0.5
277.08539	0.7
278.05780	1.2
278.09302	1.0
279.06638	24.5
279.09872	0.8
280.06979	3.0
282.09015	1.6
283.10004	0.3
284.03488	0.4
293.08231	1.9
294.05609	0.5
294.08960	7.5
295.06155	8.8
295.09308	0.8
296.06470	1.2
297.07678	0.4
299.09415	0.4
306.05450	0.7
307.06039	4.3
308.06720	1.4
309.07642	1.3
309.11102	0.5
310.08508	3.8
312.10123	0.5
313.11438	0.3
320.06995	0.4
321.07736	2.3
322.08490	7.6
323.05627	23.5
323.08984	1.7
324.06006	3.0
329.11020	0.4
337.07016	1.6
338.07971	25.0
339.08255	2.8
341.10577	0.3
353.10315	100.0
354.10666	13.3
354.15097	0.5
375.24094	1.0
415.23801	0.4
417.12082	0.6
470.27539	1.8
473.27753	0.5
489.23459	0.6
533.16669	2.7
533.24188	0.6
533.28778	1.8
533.36646	1.7
534.16992	0.5
547.57349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89993	0.2
54.52548	0.2
57.52037	0.3
59.01373	1.2
61.98832	5.8
62.95080	0.2
69.42498	0.7
69.42919	2.5
78.95908	28.3
90.20718	0.3
91.33162	0.3
96.96015	0.7
96.96974	0.8
98.95583	0.4
99.92618	0.8
102.48256	0.2
106.85761	0.3
114.59941	0.2
115.92095	0.7
116.92849	1.5
138.86531	0.2
152.99611	9.0
163.89854	0.2
178.88440	2.3
179.89247	4.2
180.90030	9.5
181.89983	0.4
194.87955	0.4
194.90030	0.2
196.89499	100.0
197.89532	6.3
198.89966	0.4
212.52383	0.3
234.91019	1.0
255.72720	0.3
269.25632	0.2
279.23300	0.7
280.23624	0.8
299.50012	0.3
305.24680	0.3
325.75470	0.3
361.65616	0.3
433.23666	3.1
448.25378	0.4
457.10861	0.4
533.16095	8.5
533.29095	0.7
534.16235	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
57.03444	0.5
58.66699	0.3
59.01385	16.5
60.01680	0.4
61.98835	28.9
69.03477	0.4
69.78470	1.1
69.78905	1.3
71.01389	7.1
72.99335	0.6
73.02962	3.0
78.95929	0.3
83.01385	1.3
85.02959	1.7
87.00874	0.8
88.98817	0.5
89.02460	3.6
89.10743	0.3
95.01423	0.7
95.04979	0.3
96.96054	0.6
99.00922	0.4
101.02470	4.7
102.05544	0.4
109.02964	0.3
113.02432	2.0
113.60131	0.3
115.00410	2.3
116.92871	0.8
119.03477	1.1
119.05025	1.5
120.01281	0.6
128.03564	0.4
130.08746	0.5
131.03522	0.6
133.01456	3.6
133.03000	0.3
134.03758	1.2
134.21272	0.3
135.04558	0.7
143.03555	0.5
145.02966	2.1
145.05098	0.3
149.04570	0.8
149.06093	1.2
154.99857	1.1
159.04521	0.5
161.04605	1.8
161.05809	0.4
175.02536	0.6
179.05649	0.4
185.26534	0.3
187.11252	0.8
193.05067	1.8
195.08197	1.1
205.12292	1.0
207.06474	0.5
207.08150	2.0
208.03764	0.9
208.05516	0.4
208.08800	0.7
209.06041	0.9
217.06668	0.4
219.08163	0.7
222.06917	0.5
223.06058	1.5
223.07996	1.9
233.06168	1.6
233.11905	0.4
234.06735	1.5
235.07657	3.5
236.04810	0.4
236.08330	0.9
246.06871	0.5
247.07445	0.6
249.05469	0.6
250.06245	0.7
251.07132	14.5
252.07423	1.1
255.02788	0.4
256.19220	0.8
257.19565	1.0
261.05539	1.4
262.06363	3.2
263.07129	7.7
264.07858	4.9
265.05029	0.4
265.08505	1.2
266.09351	0.4
267.06790	0.6
274.14468	0.8
275.14685	0.5
277.08755	0.7
278.05847	1.2
278.09415	1.4
279.06644	21.5
279.09924	1.2
280.07043	2.8
282.08820	1.8
292.07419	0.4
293.08243	2.2
293.15726	0.6
294.08972	6.8
295.06125	7.5
295.09201	0.6
296.06348	0.8
305.04651	0.4
306.05344	1.1
307.06113	3.4
308.06845	1.2
309.07727	1.0
309.11191	0.6
310.08423	3.1
311.08774	0.3
320.06726	0.6
321.07681	2.6
322.08463	6.1
323.05643	19.3
323.09018	1.4
324.05945	2.2
337.07104	1.6
338.07962	25.0
339.08267	3.0
353.10315	100.0
354.10687	12.4
354.15125	0.6
415.23285	0.4
427.19931	1.1
473.27466	0.9
489.23312	0.5
532.34912	3.9
533.16986	3.2
533.28815	1.8
533.36853	2.0
534.17084	0.8
534.24567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.8
61.98833	100.0
66.12175	0.4
71.01373	0.6
71.72311	0.7
78.95908	11.3
83.01424	1.1
87.00891	1.7
96.96024	4.7
111.00922	0.5
112.98833	12.8
116.92864	0.7
134.07368	0.5
142.99863	0.6
152.99631	3.6
154.99872	9.2
161.02538	0.8
178.88463	0.8
179.89235	2.3
180.90063	3.8
194.90074	0.9
196.89499	46.7
261.72247	0.5
277.21805	3.2
289.21817	1.5
307.26367	0.7
433.22665	2.2
434.23483	0.9
533.16113	6.6
533.29974	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	531.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07628	0.2
59.01371	1.6
61.98833	4.9
65.63655	0.2
71.71988	0.4
78.95908	28.4
94.44807	0.2
96.96030	1.0
96.96973	0.8
98.95605	0.7
98.96428	0.2
99.92624	0.7
115.92110	0.7
116.92858	1.3
130.45335	0.2
141.09268	0.6
141.14639	0.2
150.98032	0.4
152.99612	8.7
153.99919	0.3
165.20337	0.2
175.44371	0.3
178.88422	2.8
179.89238	4.3
180.90019	8.9
181.89862	0.5
185.61082	0.2
194.87851	0.4
196.89494	100.0
197.89507	6.7
197.91357	0.4
198.89972	0.3
234.91106	1.0
248.26222	0.2
255.23209	0.4
431.22079	3.5
453.08032	0.3
455.09409	0.7
471.34808	2.6
483.32458	0.3
495.12891	0.3
513.13409	0.8
527.10883	0.3
531.14532	6.8
531.22437	0.5
532.14722	1.7
556.20917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03450	1.6
58.00606	0.9
59.01379	100.0
60.01709	1.2
61.98832	29.4
64.72834	0.3
69.03460	0.6
69.39384	0.6
69.39789	3.2
71.01385	19.9
71.05019	0.8
72.99317	1.6
73.02953	14.9
75.00897	0.7
78.96909	0.3
83.01389	5.0
83.84766	0.3
85.02958	4.2
87.00884	6.0
87.01368	0.6
89.02457	7.7
95.01388	0.9
96.96025	0.6
97.02969	0.7
97.06561	0.5
99.00903	1.0
101.02457	13.8
103.08633	0.4
106.14508	0.3
109.06583	0.3
111.04535	0.4
111.08183	0.4
113.02468	6.0
115.00388	6.1
115.25933	0.4
116.92907	1.0
119.03529	2.4
119.05046	0.4
121.02998	0.7
123.04578	0.4
123.08171	0.9
125.02471	0.7
125.09724	0.4
127.11324	0.5
131.03513	0.8
133.01410	0.4
134.03792	0.9
137.09824	0.4
139.04095	0.4
143.03522	1.4
149.04568	0.6
153.12903	0.4
155.03581	0.4
157.01436	0.8
159.03079	0.5
161.02443	3.9
161.04488	1.9
171.10298	1.4
175.02498	2.1
179.05563	0.7
185.11778	0.4
189.01932	1.3
215.12808	0.5
221.08156	3.3
222.12526	0.5
231.13924	0.4
240.13751	0.4
265.18124	1.0
309.20648	0.7
355.24884	0.7
373.25955	15.2
374.26361	1.9
385.22424	0.5
399.23309	0.4
427.23447	1.3
445.24365	3.7
446.24628	0.4
469.24396	3.2
471.26044	0.8
487.25470	68.2
488.25845	10.7
489.26801	0.7
513.26990	0.8
531.28015	39.4
532.28442	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	532.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15751	0.6
57.03451	1.2
59.01379	32.1
60.01698	1.4
61.98832	43.0
66.97794	0.6
69.03468	0.6
69.74039	4.1
69.74454	1.3
71.01389	17.8
72.01728	0.7
72.08682	0.6
72.99310	1.7
73.02954	8.4
74.02477	1.5
74.03284	0.7
79.90711	0.7
81.04596	1.3
82.02982	1.7
83.01389	2.4
84.00913	2.5
84.04533	0.8
85.02968	3.3
87.00882	1.8
89.02455	4.6
93.67778	0.7
95.01379	1.0
97.04086	1.9
98.02515	1.5
98.19875	1.3
99.00906	1.3
99.05651	1.1
101.02464	9.8
111.05652	0.7
113.02477	3.2
113.03590	1.0
115.00386	7.5
115.04031	0.9
119.03575	0.9
125.03586	23.3
127.05157	37.9
128.03560	66.1
129.03873	1.1
130.08737	1.0
133.01450	9.7
135.04514	2.1
143.03464	0.7
145.06210	4.2
149.88289	0.7
152.03540	1.1
154.99846	2.3
157.06212	8.4
159.02312	1.8
159.07724	4.6
161.04613	1.3
173.08191	1.4
175.02457	1.0
181.06233	1.4
184.04866	0.8
191.04863	0.7
192.07835	1.2
193.05037	0.8
207.02983	0.9
210.08835	8.2
224.06866	1.0
236.06911	0.8
248.16621	0.7
268.09357	1.5
286.10480	9.7
291.19702	1.8
302.08069	1.8
309.20593	2.2
320.09222	100.0
321.09598	7.5
471.26083	1.2
473.27716	1.1
489.27023	2.0
531.27869	20.1
532.28369	15.6
533.17163	0.8
533.29169	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	531.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40124	0.2
57.95443	0.3
59.01373	2.2
61.98833	4.6
63.15131	0.3
67.32597	0.3
67.49595	0.3
71.42569	0.7
72.00549	0.3
78.95910	30.3
81.98909	0.2
82.03090	0.3
84.19695	0.3
89.54519	0.3
95.41813	0.3
96.96006	0.9
96.96978	1.6
97.78437	0.3
98.95612	0.9
99.92590	0.5
115.92112	0.4
116.92905	1.1
137.89476	0.3
152.99602	10.7
153.99893	0.4
171.00719	0.6
178.88406	2.6
179.89255	5.4
180.90042	8.5
188.04533	0.3
196.89499	100.0
197.89516	6.7
198.89990	0.4
234.91003	0.6
235.91791	0.6
252.92084	0.6
267.09903	0.3
431.21979	3.1
441.10977	0.3
455.09274	1.2
471.34952	1.8
513.13171	0.8
514.13812	0.4
531.14545	7.9
532.14728	1.9
553.23010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03447	0.9
58.00611	1.2
59.01382	100.0
60.01696	1.0
61.98833	7.4
69.03467	0.7
69.37868	3.5
69.38286	1.4
71.01387	22.1
71.05033	0.7
71.38275	0.4
72.99329	1.1
73.02956	18.2
75.00887	0.5
81.92676	0.4
81.93157	0.5
83.01395	5.8
83.05060	0.5
85.02959	4.7
87.00893	1.7
88.98818	0.5
89.02463	5.8
95.01424	1.2
96.96031	3.1
97.02971	0.8
98.20651	0.8
99.00916	1.0
101.02461	16.5
110.63247	0.5
113.02470	6.4
115.00414	0.9
119.03545	1.8
123.82465	0.4
125.02499	0.9
131.03539	1.5
143.03563	0.9
146.74620	0.4
149.04591	1.7
151.07715	0.4
157.66475	0.5
161.04597	1.9
175.02547	0.9
181.40320	0.4
185.58061	0.5
201.16515	0.6
221.06750	0.6
236.16669	0.4
245.15335	0.5
248.16783	0.8
263.16516	13.2
264.16827	1.7
307.19250	1.8
314.12546	0.5
397.22531	1.3
425.21951	1.4
443.22940	2.7
467.22879	3.1
485.23923	65.4
486.24283	10.9
509.52954	0.5
529.25940	7.8
529.37860	0.8
530.27173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98828	2.4
68.99234	0.2
71.27248	0.4
78.95910	18.6
127.05116	0.2
128.03609	0.3
152.99615	3.1
155.79533	0.2
160.00780	0.8
167.34933	0.3
168.04327	2.9
196.89511	0.7
206.48198	0.2
224.06931	8.3
224.09120	0.5
225.07246	0.3
241.02495	0.2
242.07947	1.7
255.23289	100.0
256.23621	10.7
277.21701	1.1
303.07977	0.2
349.96884	0.2
464.27570	0.4
480.30951	69.4
481.31296	11.9
530.21759	0.4
541.21594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
56.74597	1.1
57.03434	1.8
59.01376	9.4
59.01654	1.7
61.98816	2.3
67.01869	1.7
69.41381	4.5
69.41811	6.4
71.01386	15.5
72.58165	0.9
72.99318	1.7
73.02987	2.4
73.04074	1.3
73.27620	0.9
74.02473	2.3
75.00883	3.7
75.45663	0.9
83.01391	12.0
85.02966	3.3
87.00878	14.7
89.02438	2.0
95.01415	1.9
96.00883	1.0
96.96027	2.9
96.96968	1.0
97.02927	1.6
99.00913	4.1
100.01662	2.2
101.02464	1.6
104.11088	1.0
108.02211	1.3
109.02289	1.6
109.02967	11.8
111.00899	21.5
113.02448	4.7
113.03532	0.9
113.99605	3.2
115.00389	34.8
115.92132	1.2
117.03493	1.1
120.04550	1.7
121.02972	2.7
122.03743	4.0
123.04510	3.7
125.02428	3.1
127.00347	1.2
128.01169	2.3
128.03551	4.0
133.01462	3.5
133.02974	2.7
134.03804	1.6
135.04544	9.8
137.02486	3.4
139.00392	22.9
139.03995	2.4
145.02921	1.7
146.03723	1.1
149.02461	10.2
149.06116	4.0
150.03291	1.6
151.04091	1.6
155.03560	1.9
156.00665	20.3
157.01451	30.1
159.04535	2.3
161.02457	7.7
161.06114	1.1
163.03996	7.2
165.01967	1.6
173.02344	1.7
174.01723	21.7
174.03151	2.7
175.02521	30.1
175.03990	3.2
176.01190	1.3
177.01945	6.3
177.05576	1.0
179.03554	1.5
187.03993	3.1
188.04701	2.8
189.01909	2.2
189.05440	1.2
190.02768	2.4
191.03508	10.8
193.05063	32.9
194.05585	2.3
195.06584	2.0
201.01936	2.9
201.05702	1.1
203.03596	6.0
203.07159	1.2
205.01385	5.9
205.04918	1.6
206.02216	7.7
206.05698	1.3
207.06644	18.6
213.05710	1.6
215.03461	3.1
216.04243	2.1
218.02080	1.2
219.02939	2.9
219.06653	3.5
221.04478	1.6
222.05106	1.3
223.06155	3.3
231.06630	3.9
233.01088	1.4
233.04538	15.9
234.05324	15.4
235.05774	2.3
236.05606	3.4
247.06154	2.5
251.05586	4.8
257.04749	1.5
259.02548	1.6
263.05154	1.2
275.05612	7.2
277.07126	2.9
279.05179	3.3
279.08740	3.9
289.07153	10.7
307.08234	100.0
308.08542	10.0
309.06161	7.2
310.06799	1.2
333.06274	1.2
355.10345	3.6
413.10812	2.6
441.10016	2.8
451.12366	1.4
469.13635	7.2
471.11469	14.7
472.11542	2.4
481.09937	1.4
495.11014	3.0
513.12170	4.8
513.22919	1.2
531.25671	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	527.2986
Annotation	Milbemectin
Peak:m/z	Relative Intensity
56.73141	45.5
61.98838	85.9
71.72393	85.1
78.95926	72.6
93.34624	38.3
117.81934	41.5
125.61324	41.4
128.38470	43.1
172.72885	39.2
176.01228	36.2
178.22806	36.8
183.32729	41.2
247.44066	40.6
255.23283	82.7
527.29553	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	528.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70242	0.5
57.96090	0.5
58.02975	1.3
59.01379	3.1
60.29432	0.5
60.85989	0.5
61.98837	4.6
67.01893	0.8
68.05072	1.0
69.52922	5.4
70.02964	0.8
71.01382	5.0
73.02942	0.9
73.04111	0.6
74.02479	2.4
78.95922	2.1
80.05093	0.9
82.02993	10.4
83.02542	1.6
83.05791	0.6
84.00921	4.6
84.04558	0.5
85.02977	0.9
85.04118	0.7
88.98802	0.6
89.02460	0.9
94.03019	0.7
96.00916	0.6
96.04575	1.1
96.96037	3.0
96.96957	1.1
98.02529	1.0
100.04057	1.7
101.02455	1.3
107.40237	0.5
109.04080	1.3
110.02536	1.0
110.06102	0.5
111.02023	1.1
111.05674	1.7
113.03604	6.7
113.07224	23.6
114.05611	2.2
114.07508	0.7
115.00409	1.4
116.92896	1.3
119.05030	1.1
120.01263	0.6
123.05670	11.8
124.04058	19.5
124.05997	0.8
125.03556	2.8
125.07206	1.0
126.02002	5.9
126.05595	0.6
127.05159	7.2
128.03560	100.0
129.03967	2.6
130.08797	0.6
133.01436	0.8
135.03012	0.7
137.07205	0.8
138.05655	0.8
139.01544	1.0
139.05116	1.6
141.06726	6.3
142.05081	1.2
143.04604	1.3
145.06255	0.7
146.04585	0.7
153.06743	2.1
153.10287	0.6
155.08293	13.4
156.06628	0.9
160.06122	1.2
163.03955	0.9
166.06190	1.2
167.04636	35.5
168.04961	1.2
170.09355	6.1
175.02521	1.1
179.08368	0.6
180.11494	0.8
181.09819	0.6
182.09332	0.8
185.05688	10.4
194.13110	0.6
195.07791	2.1
196.10954	2.1
197.11395	0.6
198.12502	2.0
206.09349	1.7
208.10852	0.7
210.12505	2.1
211.07327	1.4
212.10449	0.7
217.08275	0.9
224.10425	5.1
237.13556	4.5
241.13075	6.9
252.13492	1.0
261.10770	1.4
266.11438	6.5
267.47406	0.6
272.08887	0.9
279.14673	2.6
283.14160	1.5
284.12430	1.7
285.12653	0.6
303.05008	0.6
305.16226	0.5
306.07745	2.2
323.13623	4.8
337.18564	1.3
434.16714	0.8
442.19455	2.3
452.17780	0.8
467.17712	1.0
469.23022	1.2
484.20471	58.6
485.20941	10.0
510.22195	1.0
528.23041	83.9
529.23199	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	526.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.2
60.01695	1.2
61.98830	16.3
69.86978	7.3
71.01389	12.6
72.99324	1.1
73.02953	4.7
75.00880	1.2
78.95895	1.6
83.01418	2.7
85.02952	4.3
87.00882	2.1
88.04095	1.0
89.02448	2.4
94.06645	1.1
95.01366	1.4
96.96024	2.5
98.19911	2.1
101.02451	6.3
106.06659	1.5
109.59597	0.9
113.02455	3.9
115.00374	2.8
119.03548	1.2
122.06149	7.4
123.03308	1.2
123.08102	1.0
124.07721	2.1
128.03572	1.1
130.08763	1.5
132.04587	4.0
133.01453	1.9
134.06050	1.2
136.07733	1.2
137.02275	1.0
137.06137	1.3
138.05650	2.6
140.07182	1.5
140.65288	1.0
146.02513	1.9
147.03270	1.6
150.05643	2.8
158.02534	1.3
159.03188	1.2
159.29059	1.0
160.04042	4.0
161.04773	2.5
174.01871	1.6
175.02481	3.5
176.03616	1.8
176.07179	2.1
182.06104	1.0
188.03554	1.0
190.05084	5.9
198.04356	2.8
211.05202	1.7
211.12480	1.8
212.10825	1.9
215.11891	1.2
218.04630	1.3
223.05128	1.5
223.08705	2.1
224.09512	2.7
225.06575	2.6
226.07330	1.8
227.08195	2.6
237.06679	4.8
239.04611	2.7
239.08278	3.5
239.11964	5.9
240.10532	1.3
241.09886	3.1
251.04752	1.7
251.08199	5.8
252.09036	2.6
253.06070	9.0
253.09914	5.6
254.04465	2.4
254.06889	1.6
255.11432	2.4
256.09552	1.5
257.12881	1.9
265.06168	11.3
265.09787	2.3
266.06912	2.6
267.07690	7.8
268.08392	2.0
271.07236	1.2
279.07770	4.3
280.05649	1.9
280.08496	7.8
281.09302	11.8
282.10052	4.4
283.07657	2.0
283.10892	12.9
284.08899	1.7
285.08951	2.5
289.13602	1.8
291.07611	1.3
293.05899	1.4
293.09305	2.2
295.07092	1.5
296.08273	1.7
297.08871	2.7
307.07196	3.9
308.07950	1.7
309.08829	3.5
311.10309	5.6
312.11057	1.7
315.11188	5.5
316.11255	1.6
319.18240	1.7
325.08353	2.7
327.09995	1.7
333.12314	1.8
336.10071	2.5
339.09885	1.8
340.10385	1.4
341.11188	1.6
348.14600	2.4
358.11761	1.2
363.17349	6.0
364.16629	1.8
365.14948	2.2
374.11859	1.5
378.12320	1.9
388.16702	1.4
389.15256	1.7
392.13757	1.6
402.11060	1.8
403.11490	2.3
404.16132	2.1
406.17844	2.8
407.15958	14.6
407.20981	1.3
408.16348	2.2
414.14435	1.8
417.13174	4.2
432.15631	26.6
433.15741	4.5
450.16599	13.1
451.15503	7.4
458.13483	1.5
463.17090	3.0
464.17813	5.3
476.14661	20.4
477.14697	3.5
483.22861	1.3
494.15665	57.3
495.16080	10.2
508.17252	44.1
509.17645	9.9
525.35132	1.7
526.18262	100.0
527.18555	17.8
527.25128	7.4
527.35632	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	526.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60807	1.1
52.93602	1.2
53.06350	1.1
59.01384	20.5
61.98840	17.5
71.01390	9.0
71.73156	1.1
73.02950	4.6
76.71978	1.0
83.01440	0.9
84.29145	0.8
85.02963	2.6
87.00896	1.9
89.02469	3.0
96.96039	1.6
99.00895	1.4
101.02469	4.0
106.06628	1.6
107.03772	1.6
109.06616	0.9
113.02454	3.0
115.00409	2.8
122.06133	9.3
124.07703	1.7
125.06091	1.9
132.04562	3.9
135.08186	3.2
136.07739	0.9
138.05637	2.0
139.07625	1.1
140.07196	1.9
146.06136	1.1
147.03262	2.0
148.04033	1.6
150.05557	2.0
151.07614	1.0
153.09236	0.9
158.02534	1.2
160.04062	3.8
161.04645	1.6
161.55817	0.9
171.10237	1.0
174.02025	1.2
175.02455	2.9
176.03578	1.5
176.07121	1.6
177.03937	1.2
179.05667	1.4
190.05106	4.6
198.04263	2.4
199.04764	1.2
211.08817	1.5
221.06952	1.3
223.08789	2.8
224.07449	1.3
224.09465	2.6
225.06635	1.8
225.10042	1.1
226.07321	2.0
227.08244	2.0
228.06607	1.4
231.05168	1.1
237.06718	4.5
239.04697	2.4
239.08305	4.2
239.11894	4.2
240.10370	1.6
241.09984	1.7
251.04642	1.2
251.08255	6.6
252.05289	2.2
252.08939	2.8
253.06133	11.4
253.09741	5.5
254.04385	1.9
254.06773	2.7
254.10526	1.3
255.05319	2.2
255.11404	1.8
256.09460	1.7
265.06207	14.4
265.09161	1.9
266.06741	5.7
267.07770	7.5
268.08411	2.2
269.05881	1.3
269.09402	1.3
279.07785	4.2
280.08475	9.0
281.05997	2.0
281.09232	13.2
282.10098	3.0
283.07721	1.9
283.10852	13.0
284.09195	3.6
285.08792	1.6
287.11435	1.6
289.13443	1.4
291.11615	1.2
293.05804	2.3
293.09332	4.3
294.10065	1.4
296.07996	2.5
297.05286	1.4
297.08762	2.1
307.07358	6.1
308.07855	1.9
309.08810	3.5
311.07126	1.4
311.10419	3.0
314.10211	1.4
315.11038	6.6
316.11420	1.6
319.18228	1.5
324.44916	1.2
325.08362	4.4
326.08832	1.3
327.09903	2.5
333.12228	1.8
339.09766	2.8
340.10547	1.6
345.16226	1.3
348.14679	1.8
350.12485	1.1
361.15613	1.2
363.17178	7.9
378.12201	2.9
388.09137	1.3
388.16766	3.5
389.14783	3.6
403.11560	2.9
404.16376	1.4
407.16156	12.0
408.16446	2.3
414.14752	1.8
416.12247	2.2
417.13293	4.6
432.15686	32.2
433.16046	4.9
450.16766	10.1
451.15195	6.4
458.13562	3.4
464.18225	5.9
476.14621	28.5
477.14853	4.4
483.17682	4.5
483.32831	1.5
485.35007	10.9
494.15720	31.9
495.15710	6.8
508.17242	91.2
509.17480	14.4
525.35687	1.5
526.18280	100.0
526.35126	3.2
527.18494	21.4
527.26117	4.7
527.35846	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.1
58.00620	0.1
59.01382	3.8
60.01707	0.2
61.98832	100.0
62.98560	0.2
69.62941	1.4
71.01389	2.3
71.02527	0.3
72.99313	0.3
73.02944	0.8
74.02477	0.2
78.95929	0.4
83.01393	0.5
85.02966	0.7
87.00914	0.3
88.98858	0.2
89.02438	0.7
96.00951	0.2
96.96008	0.2
98.02527	0.2
99.00914	0.2
101.02450	1.0
106.14087	0.1
111.00883	0.2
112.05160	0.2
112.98861	0.2
113.02483	0.7
113.03613	0.4
115.00377	0.8
115.08772	0.2
119.03500	0.3
119.05060	0.2
128.03557	0.4
130.06268	0.6
130.08803	0.2
133.01450	0.5
135.02980	0.2
135.04564	0.4
142.99820	0.2
143.04674	0.3
147.04486	0.3
149.06091	0.2
154.06238	0.3
154.99947	0.4
157.51509	0.1
161.04625	0.4
164.07231	0.6
171.04617	0.5
172.07390	0.4
175.02527	0.3
177.09227	0.2
232.88593	0.2
241.13391	0.2
245.13005	0.2
263.91592	0.2
269.40594	0.2
283.14377	0.2
303.13498	0.2
306.07785	0.6
351.16556	0.2
376.12054	0.2
404.16229	0.2
429.18085	0.3
431.19873	0.5
461.27576	0.2
489.18988	0.2
492.14325	0.4
507.22842	0.4
523.34845	0.6
524.17029	0.7
524.25378	1.7
524.35999	0.8
525.23956	0.2
525.29718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53083	54.3
55.29033	61.7
59.01355	68.5
61.98842	100.0
64.81516	63.5
66.26424	61.5
71.73910	99.2
71.85036	67.2
77.38054	68.0
78.95908	90.8
102.03123	53.5
110.51201	67.0
176.56744	61.7
177.46881	77.0
187.18001	69.7
197.49834	70.4
217.91112	61.3
313.68402	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39962	0.4
57.03451	0.4
59.01393	3.3
61.98833	23.5
65.00323	0.8
71.01385	1.7
72.99306	3.3
73.02962	0.7
82.61671	0.4
83.01411	0.5
85.02931	0.5
89.02454	1.1
92.19176	0.4
101.02443	0.7
107.01414	1.8
108.02170	1.0
109.02967	0.7
113.02444	0.6
115.00357	0.5
119.05106	0.5
121.02974	1.3
133.01427	1.0
135.00897	0.5
137.02422	0.5
148.01714	0.6
149.02481	0.6
151.00400	9.5
152.00720	0.6
154.64177	0.4
158.09598	0.5
163.00331	2.5
164.01094	0.6
175.02478	0.4
178.99878	4.4
179.01335	0.7
199.03995	0.5
211.03911	0.8
215.03607	0.7
226.02747	1.2
227.03433	2.3
229.04974	0.5
243.02968	7.4
244.03630	0.6
245.04503	1.1
254.02187	1.8
255.02969	18.3
256.03342	2.2
271.02457	38.0
272.02954	5.0
273.04019	0.9
283.02390	1.3
299.01953	1.0
300.02753	82.5
301.03467	46.9
302.03824	4.1
306.07410	0.5
330.05295	0.6
360.77966	0.5
463.08801	100.0
464.09146	13.9
464.15735	0.7
525.27783	0.5
526.28564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1765
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
51.01766	0.6
55.10420	0.8
61.98825	9.2
70.58497	0.7
70.58834	2.6
71.01410	0.8
76.37736	0.7
78.95905	77.1
87.32328	0.7
99.92590	16.7
100.92591	1.3
100.93350	0.8
110.98547	12.5
115.92092	32.2
116.92131	1.5
116.92869	15.5
137.49683	0.8
141.93755	0.9
150.02034	0.9
150.98064	1.1
152.99599	0.9
155.95222	1.4
163.89760	1.2
164.99585	1.8
167.01155	2.1
178.88441	4.4
179.89230	35.5
180.90094	11.4
181.90793	3.0
183.42906	0.7
193.90788	38.0
194.87865	0.8
194.91628	20.0
195.91927	1.3
196.89496	54.3
197.89563	3.5
218.91542	0.8
226.90445	0.7
234.90999	0.8
235.91794	1.1
236.92659	2.0
248.22926	0.7
248.92592	2.9
249.93468	3.9
250.93936	1.0
255.20638	1.0
255.23286	18.8
266.93668	2.3
355.15622	1.5
371.14972	1.0
411.18365	4.6
412.18781	1.1
423.25204	6.2
505.16443	2.1
523.17670	100.0
524.17816	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	523.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
61.98830	0.8
63.03379	0.4
67.01891	0.4
71.01394	1.3
72.99305	4.4
73.91026	0.4
75.00900	0.4
83.01381	1.8
86.00115	0.9
87.00889	0.4
96.96008	0.8
99.00893	9.6
100.01708	1.9
104.08253	0.4
111.00895	4.2
113.99607	28.5
114.77933	0.4
115.00378	1.3
128.01186	2.2
129.01909	0.6
138.40999	0.3
144.08412	0.4
156.00670	52.2
157.01147	1.9
163.55128	0.4
165.12868	0.4
167.14456	0.6
174.01715	100.0
175.02100	4.1
189.12869	0.5
190.71323	0.4
207.13962	0.7
211.13278	0.4
227.20149	1.2
229.14395	0.8
229.89995	0.5
241.18011	0.6
277.18140	0.7
279.19589	0.9
331.26331	1.4
347.04938	0.4
347.25797	0.5
349.27319	2.4
354.00012	0.4
361.27496	2.9
362.27771	0.6
363.29169	2.4
377.26801	0.7
383.25824	0.6
386.46866	0.4
389.26794	0.4
391.28638	1.5
405.26456	3.2
406.27136	0.4
407.27676	0.6
419.28125	1.1
423.27524	27.2
424.27798	4.1
443.28085	0.7
461.29092	3.7
462.29318	0.7
463.27002	22.7
464.27344	3.7
487.26895	1.8
505.27991	2.1
506.28195	0.7
523.30524	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	523.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.3
58.53356	0.4
59.01374	1.5
61.98835	0.9
71.01377	0.7
71.72176	0.3
72.99304	1.7
83.01387	1.6
86.00108	0.4
87.00898	0.8
87.89157	0.4
96.96029	0.4
99.00899	3.4
100.01720	0.7
111.00898	2.5
113.99612	14.7
115.00392	1.3
128.01193	1.0
143.21680	0.3
156.00667	17.0
157.01196	0.4
174.01715	100.0
175.02087	4.7
183.59193	0.3
227.20149	4.0
230.96732	0.4
234.72472	0.4
253.09209	0.5
349.27441	0.7
361.27527	0.9
363.29089	1.1
377.27161	0.8
391.28445	0.4
405.26462	1.2
407.28290	0.6
423.27493	8.4
424.27600	2.2
461.29095	0.9
463.27026	10.0
464.27570	1.7
482.24118	0.5
505.28244	0.6
513.08679	0.4
523.30377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35471	0.3
52.61160	0.3
54.81942	0.3
55.78483	0.3
57.03442	0.5
59.01086	0.6
59.01378	10.6
59.37927	0.3
60.01713	0.5
60.19714	0.3
60.91452	0.3
61.98833	4.7
66.07658	0.3
68.99343	0.3
69.03409	0.3
69.83780	1.6
69.84196	0.4
71.01389	6.2
73.02959	2.8
74.02481	0.4
75.00881	0.5
83.01385	0.9
85.02956	1.8
87.00887	0.4
88.98804	0.4
89.02456	1.0
90.06660	0.3
93.03468	0.5
95.01369	0.3
99.00878	0.7
101.02457	3.2
107.05078	0.3
109.02989	0.4
113.02448	2.5
115.00388	1.1
119.05041	1.6
121.02972	3.6
122.03796	1.6
122.06065	0.3
123.00887	1.0
123.04565	0.5
124.01663	0.5
128.03540	0.5
132.04593	0.5
133.01433	0.9
134.03726	0.8
135.03035	0.7
135.04535	0.8
136.01639	0.3
136.05304	1.1
137.02499	0.5
138.03273	0.7
143.05083	0.7
145.02890	0.4
145.06635	0.4
146.03717	0.3
147.04552	2.6
149.02489	1.9
149.06143	0.9
150.03267	5.8
151.03984	0.5
153.05600	0.4
158.03773	2.4
159.03189	0.5
159.04530	8.3
159.06589	0.3
160.05318	27.3
161.04575	1.1
161.06056	7.0
162.03268	0.3
162.06467	0.5
163.04025	5.7
164.04819	5.3
165.05475	0.3
168.04341	0.3
168.68703	0.3
173.06090	3.3
174.06685	0.5
175.07663	24.5
176.04778	0.7
176.08063	1.4
177.05565	6.6
178.06366	8.5
179.06956	0.7
192.07948	1.2
193.05052	1.2
193.08690	3.2
196.03691	0.5
211.06165	0.9
238.18105	0.6
239.11781	0.5
253.06416	0.4
258.29404	0.3
283.10947	2.7
284.11111	0.4
299.18619	1.8
309.08856	0.8
314.11575	0.5
327.09723	1.1
329.13940	100.0
330.14288	13.3
359.15298	4.4
360.15234	0.8
371.08881	0.7
403.11481	1.6
405.12030	1.8
445.12589	0.3
461.23734	0.6
477.23315	0.8
489.11575	2.2
503.24524	0.4
521.19360	0.4
521.26147	7.3
522.26190	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	521.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77279	0.7
58.80709	0.8
59.01369	3.0
60.99306	10.1
61.98832	9.4
71.20243	1.7
78.95911	63.0
88.98815	66.8
89.99148	0.8
96.96016	1.1
96.96977	4.2
101.09272	0.8
128.03540	1.7
130.44952	0.8
150.98146	1.5
152.99612	100.0
153.99925	1.9
171.00677	2.8
171.07802	0.9
186.86537	1.1
242.84204	1.0
260.89990	0.9
277.21826	1.3
286.40060	1.1
341.27133	1.0
431.22034	52.6
432.22330	8.4
521.32184	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03438	0.9
58.00594	0.4
59.01379	17.5
60.01709	0.4
61.98829	2.5
67.80612	0.3
69.03460	0.4
70.89591	0.9
71.01385	10.7
72.99310	1.1
73.02972	2.3
75.00878	0.4
78.95917	0.4
83.01414	1.6
83.05038	0.4
85.02953	3.5
86.00118	0.2
87.00887	0.9
88.04057	1.4
89.02448	4.1
95.01396	0.9
97.02940	0.3
99.00890	0.9
99.05693	0.4
101.02456	6.3
111.00879	0.5
113.02479	3.2
115.00392	1.0
119.03515	1.2
120.08224	0.2
122.06197	0.4
125.02415	0.3
131.03546	0.3
133.01476	0.4
135.04546	6.8
136.04886	3.3
141.01872	0.3
141.06816	0.3
143.03535	0.5
145.05121	0.3
145.47443	0.3
146.06149	0.4
161.04630	1.0
175.02560	0.3
179.03558	0.4
179.05644	0.6
189.07082	0.6
221.06683	0.4
237.49846	0.3
272.09180	0.6
295.22784	0.9
297.12405	0.3
299.62540	0.6
313.23810	2.8
314.24112	0.3
323.10126	0.3
324.10852	0.5
341.27002	5.8
342.27243	0.6
349.77188	0.3
357.26404	0.3
359.28033	25.6
360.07202	0.6
360.28397	3.2
373.29523	0.7
401.29190	0.4
461.31564	1.6
462.31442	0.3
490.16110	0.4
503.32297	1.3
521.33276	100.0
522.12555	0.6
522.33588	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89114	0.5
55.01878	1.5
57.03451	2.7
58.00596	3.2
59.01377	100.0
60.01702	2.0
61.98827	8.1
63.12788	0.6
69.71459	3.7
71.01385	58.6
71.81908	0.5
72.01735	1.6
72.99299	3.5
73.02952	21.1
74.02482	1.8
74.03287	0.6
75.00876	0.6
78.95923	0.7
83.01398	2.8
85.02956	14.4
87.00892	4.5
88.98817	1.2
89.02451	67.3
90.02800	1.1
93.03435	0.6
94.06670	0.6
95.01379	3.9
96.00907	0.9
97.02969	1.0
98.02513	0.6
99.00909	1.7
99.04514	0.7
100.48755	0.6
101.02454	38.5
102.02796	0.7
108.02226	0.7
109.02983	1.6
111.00900	0.8
113.02463	26.5
114.02801	0.9
115.00402	2.4
116.92814	0.5
119.03516	30.4
119.05000	1.5
120.03838	0.7
121.02985	2.1
122.03770	0.5
122.06203	0.5
123.04552	1.8
123.08128	0.6
124.02926	0.5
124.48603	0.5
124.85938	0.5
125.02478	1.3
125.92123	0.5
127.05146	0.6
128.03531	1.4
130.08739	0.7
131.03516	3.9
133.01476	1.8
134.03761	0.9
135.04546	2.3
143.03525	8.0
147.04541	0.6
149.04591	3.0
149.06036	0.8
159.03294	0.5
159.04459	2.3
160.05301	5.8
161.04572	7.2
161.05901	0.9
163.04054	0.6
171.07803	0.6
172.05325	3.0
173.06090	1.9
174.05663	0.6
175.02510	0.8
175.03969	0.8
175.07666	1.7
179.03629	1.4
179.05611	15.0
183.82513	0.5
187.07622	1.2
189.05586	4.7
189.09225	0.8
190.06384	5.3
205.08681	4.1
211.06070	0.6
243.02945	0.7
263.07440	0.7
281.08350	1.7
283.10678	0.8
295.09720	0.9
296.10577	3.5
311.12872	3.7
326.11496	0.8
329.13876	0.9
337.16852	0.5
341.13962	22.5
342.14331	2.0
343.17603	1.4
361.18582	1.4
377.29205	1.3
383.20673	1.2
389.21329	0.6
401.21915	1.0
403.19922	1.4
405.11935	1.1
414.17911	0.6
477.23370	19.5
478.23700	2.8
483.66504	0.7
486.22699	1.1
503.25058	1.7
521.20612	2.0
521.26288	28.1
521.33429	4.6
522.26813	3.9
522.33496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73335	0.2
59.01372	0.3
60.45893	0.2
60.99339	0.2
61.98829	0.4
71.65639	0.4
72.58878	0.2
78.95908	43.3
79.95743	0.6
88.98807	1.3
96.96972	5.6
116.06809	0.2
150.98018	1.6
152.99605	100.0
153.99927	2.2
156.40726	0.2
170.99190	0.4
171.00653	4.8
184.71935	0.2
201.71350	0.2
238.47630	0.2
279.23138	1.0
374.08212	0.2
431.22284	0.9
433.23608	24.1
434.23953	3.7
519.31415	0.4
520.26160	6.3
521.27136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92234	0.4
58.93602	0.3
59.01370	1.2
60.99300	0.4
61.72340	0.4
61.98840	1.8
66.59117	0.3
70.46078	1.3
77.24699	0.3
78.95909	42.2
79.95741	1.3
82.38128	0.4
88.98810	2.3
94.47823	0.4
96.96966	5.8
100.69662	0.3
150.98024	1.6
152.99605	100.0
153.99934	1.6
171.00673	5.3
279.23395	1.1
431.21982	1.9
433.23599	26.2
434.24042	4.0
520.25909	5.9
520.32990	1.3
521.26794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97830	0.7
61.98832	100.0
70.14264	2.1
70.14703	2.1
72.65792	0.6
75.14899	0.7
96.96015	0.8
136.10188	0.7
154.11743	0.9
157.05475	0.7
257.64212	0.7
259.25223	0.8
271.25912	0.9
376.74512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85735	0.4
55.01857	1.3
56.97847	0.5
57.03464	3.3
58.00581	1.0
59.01381	31.9
60.01697	0.5
61.43068	0.5
61.98833	10.3
65.00330	0.5
70.00089	0.4
71.01384	20.1
71.23201	0.4
71.45531	0.9
72.00874	0.4
72.01665	0.4
72.99292	1.6
73.02944	6.0
74.02449	0.6
75.00844	0.7
78.95895	1.8
81.03460	8.3
83.01395	7.8
85.02960	9.4
87.00887	2.2
88.04020	0.6
88.98769	0.8
89.02452	6.3
93.03464	5.0
94.06620	0.5
95.01384	2.1
95.05012	0.5
95.68970	0.5
96.44584	0.5
96.96949	1.4
97.02933	0.9
99.00873	2.1
99.04510	0.4
101.02454	12.6
106.06606	1.5
107.01453	0.7
108.08218	0.6
111.00888	0.9
111.02044	0.7
112.98831	0.8
113.02469	9.8
114.93290	0.4
115.00352	1.2
119.03574	2.8
119.05035	13.0
120.01228	0.6
120.05377	0.6
121.02871	0.5
122.06167	0.7
123.04545	25.7
124.04888	0.8
125.02469	9.7
129.01924	1.1
131.03525	1.1
133.01430	0.5
135.02951	0.5
135.04515	1.7
136.07613	0.5
137.02382	0.7
137.09724	0.8
139.04050	0.5
143.03528	1.1
149.02458	1.0
150.05594	0.6
151.00351	1.8
151.03989	0.7
152.01222	0.6
153.06703	0.8
154.69679	0.4
154.99835	1.2
155.08302	0.5
155.10776	1.0
157.12355	0.5
159.02968	1.6
161.04539	2.7
163.03987	1.0
164.07166	0.7
165.05606	0.9
167.03516	70.5
168.03853	3.7
175.02510	1.1
179.03545	4.6
179.05627	1.8
181.05080	3.0
187.07616	1.0
189.05585	1.2
191.03517	7.9
201.14960	1.5
203.03525	1.2
205.48122	0.4
209.04549	4.5
210.57852	0.5
213.10391	0.5
215.17679	0.4
221.04544	2.1
221.06667	1.6
223.13324	0.6
228.06734	0.5
229.08763	1.0
251.11967	0.6
273.07669	100.0
274.08014	9.3
286.69449	0.5
297.07684	15.1
298.08057	2.0
299.12115	0.5
304.95514	0.5
315.08606	3.4
321.11496	0.9
321.61575	0.8
322.12073	0.6
327.08698	1.7
341.23111	0.6
359.28000	8.2
461.31274	3.7
477.14026	13.2
478.14505	2.0
479.32233	1.4
482.58929	0.6
483.67163	0.6
484.17627	0.7
504.66882	0.6
505.69598	1.8
506.19928	0.6
520.32379	1.3
521.33502	45.5
522.15991	0.7
522.33936	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	520.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85806	0.9
55.01863	2.3
57.03452	1.7
58.00611	1.4
58.02981	2.1
59.01382	46.2
60.01721	3.3
61.01806	1.6
61.98833	100.0
62.98545	1.8
63.99253	8.4
71.01388	20.2
72.99270	1.4
73.02959	10.9
73.04072	7.9
74.03307	1.9
83.01405	4.5
85.02962	6.8
87.00883	4.1
89.02446	5.9
95.01386	1.5
97.02948	1.2
98.02493	4.6
98.20644	2.8
99.00851	1.3
101.02454	18.8
102.02812	3.6
103.02885	1.6
112.98841	1.8
113.02475	8.9
115.00312	1.1
115.05153	29.6
119.03517	4.7
125.02449	1.8
129.10362	3.3
130.08763	62.9
131.03477	1.1
131.09093	3.4
134.06079	1.3
140.10867	1.1
143.03549	2.3
143.11896	1.3
149.04604	2.4
151.08806	1.9
152.07153	1.4
157.13499	20.5
161.04573	3.9
162.04865	1.3
166.08704	1.9
168.11400	2.5
179.05634	2.1
183.11389	3.5
186.12494	2.4
201.12411	10.1
210.12523	5.7
221.06676	2.6
223.20778	1.1
228.13544	1.9
229.79491	1.2
238.15483	2.8
239.16557	1.8
255.19647	3.1
257.17676	11.6
270.21835	19.7
282.14462	1.2
299.12277	1.7
314.20831	2.6
321.11551	6.5
321.61896	1.7
327.24115	8.1
337.13120	2.0
350.92313	1.2
369.24982	2.2
371.22849	1.7
401.21713	3.9
413.24069	94.1
414.24463	11.7
417.24799	5.6
419.22864	12.9
457.26660	80.6
458.27060	10.4
461.23792	5.1
462.94089	1.4
503.25043	1.4
520.26520	1.3
520.32843	1.9
521.26007	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	520.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86372	0.4
59.01382	9.1
60.25727	0.6
61.98834	37.9
69.68003	3.4
71.01387	8.1
72.01751	0.5
72.99315	1.0
73.02961	1.8
75.70483	0.4
76.72618	0.5
83.01424	0.6
85.02971	4.0
87.00893	1.0
88.04052	0.5
88.98840	0.6
89.02454	4.6
93.03476	0.5
93.11772	0.5
94.06634	9.6
95.01399	1.2
96.00947	0.7
96.96022	1.0
96.96977	0.7
98.57317	0.4
99.00862	0.5
101.02431	3.1
106.06651	0.9
107.03802	1.4
109.02968	0.5
113.02466	6.3
115.00401	5.3
115.92143	0.8
116.92873	3.5
117.92861	0.9
119.03499	0.7
119.04996	0.7
120.01270	3.7
122.02507	11.0
122.06139	47.1
123.05697	0.6
123.06509	1.5
125.02483	0.8
127.05156	0.6
128.03554	1.3
131.03543	1.1
133.01453	20.0
134.06137	11.3
135.04539	7.3
135.06450	0.6
136.04059	0.7
137.02527	0.9
149.09909	0.6
152.07191	100.0
153.07568	4.2
161.04553	1.4
175.07771	0.5
179.03496	6.4
179.05766	0.6
180.06647	1.3
183.96567	0.5
189.06857	0.5
192.06679	0.8
196.06165	85.5
197.06500	4.7
210.07721	6.1
221.06764	0.6
238.07236	7.6
268.08261	1.1
271.09656	0.7
295.04510	0.8
298.05981	0.7
298.09308	6.1
329.27750	0.5
340.10553	2.2
341.06735	0.9
343.11862	2.4
358.11438	10.4
359.12021	1.0
400.12509	38.2
401.12830	5.0
476.17416	0.8
502.15414	4.7
503.16525	1.1
520.16437	9.0
520.22736	0.6
521.17255	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	519.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59450	0.5
55.01889	1.3
56.46059	0.5
57.03448	1.5
58.00600	1.1
59.01382	100.0
60.01727	1.4
60.27243	0.5
61.98835	17.2
69.03451	0.7
71.01389	41.4
71.05022	0.7
71.72075	0.9
72.01726	0.7
72.99326	2.9
73.02958	23.9
74.02494	1.3
75.00900	1.8
78.95927	1.6
81.03480	0.8
83.01390	6.1
83.02532	0.6
83.05072	0.7
85.02961	12.6
87.00893	2.7
87.04517	1.6
88.98833	2.4
89.02464	18.0
95.01402	2.7
96.00952	1.8
96.96044	0.9
96.96944	0.7
97.02993	0.7
97.06640	0.6
98.39997	0.6
99.00932	1.8
99.04551	0.9
101.02460	24.2
102.02802	0.7
106.06667	1.2
109.06621	1.7
113.02466	27.0
114.01973	0.6
114.02814	0.8
115.00393	8.5
116.64982	0.5
116.92868	0.7
119.03533	7.3
119.05029	1.2
123.04536	0.9
123.33696	0.7
125.02478	1.4
127.05157	1.3
128.03595	2.0
129.10364	1.5
130.06282	1.9
130.08781	4.4
131.03561	3.5
131.04434	0.7
133.01459	13.9
133.02998	0.7
135.03021	0.8
135.04552	6.2
136.04921	0.6
143.03575	3.0
147.04460	0.8
149.04599	3.9
149.05791	0.8
151.04016	0.6
154.99933	0.9
155.08275	0.6
161.04573	9.9
164.04852	0.7
167.07217	0.6
174.03333	1.0
175.02557	1.3
175.04068	1.1
179.03625	1.8
179.05667	7.2
179.07179	1.0
186.12613	0.7
191.01976	1.1
191.05667	0.8
203.05687	1.5
208.03757	0.6
209.03122	0.5
209.11871	0.9
221.06606	1.0
223.06081	1.2
223.46901	0.5
253.10811	2.3
297.17053	0.7
299.12747	0.6
315.12518	0.6
371.15482	0.9
383.12918	0.7
385.09497	1.7
387.20059	2.7
403.10336	3.2
415.23431	15.1
416.23813	2.0
433.24747	3.5
456.28314	8.5
457.27881	1.7
459.22775	0.8
460.63156	1.2
475.21719	3.5
485.20804	1.3
490.26743	0.7
502.23651	0.7
519.24493	8.8
519.32471	0.9
520.24811	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	519.2443
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01875	4.0
57.03452	5.4
58.00594	2.4
59.01381	90.2
60.01720	1.8
60.99303	2.6
61.98829	13.1
69.03447	4.3
71.01387	100.0
71.72705	0.8
72.01726	2.4
72.99310	3.8
73.02949	31.0
73.40134	0.6
74.02477	2.2
74.03303	0.7
75.00889	1.6
78.95909	3.1
81.03463	1.7
83.01396	11.6
83.05048	0.9
85.02959	33.9
86.00119	2.2
86.03288	0.9
87.00887	14.8
87.04517	1.2
88.98816	17.5
89.02454	39.4
90.02780	0.7
95.01411	6.8
95.05000	0.6
96.00892	0.6
96.96031	0.6
96.96967	2.2
97.02966	6.1
99.00890	10.3
101.02457	56.9
102.02802	1.7
107.96197	0.7
108.08194	0.8
109.02988	0.8
111.00899	1.9
111.04527	0.9
113.02463	36.0
114.02802	1.0
115.00389	6.0
115.04027	2.2
115.22051	0.7
116.92844	0.7
119.03511	5.8
119.05053	1.0
122.06126	0.7
125.02478	10.2
128.03545	1.9
129.01950	2.4
130.08755	1.5
131.03522	10.4
133.01456	8.1
134.03735	1.2
135.04547	25.6
136.04813	1.2
137.09790	0.6
143.03534	5.5
149.02487	0.7
149.04570	15.6
155.10771	1.1
159.03044	4.9
161.04576	31.6
162.04886	0.7
163.03946	1.0
163.11356	4.6
166.05098	3.4
175.02484	1.7
179.03505	10.4
179.05663	1.6
181.12294	1.1
183.13655	0.6
191.05609	4.7
203.05646	0.6
207.13968	1.4
221.06508	1.7
223.06128	1.7
224.65872	0.6
224.80661	0.6
233.06685	4.1
253.14415	1.8
275.53717	0.8
293.08698	8.0
297.17090	2.9
299.12338	1.8
306.10950	0.8
315.12463	0.9
325.16544	3.6
343.17627	10.8
344.18134	0.8
369.19174	1.7
387.20258	54.4
388.20602	6.2
390.24286	0.7
403.10306	2.5
415.23410	5.6
417.20886	0.8
433.24670	1.1
457.20914	3.1
457.26321	1.1
475.21793	15.2
476.22192	1.9
477.23300	0.9
501.23105	2.5
502.23547	0.7
519.24371	76.2
520.24640	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	519.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01366	5.7
71.01086	2.1
71.01402	13.1
72.99315	1.9
73.02942	1.4
78.95911	2.2
85.02961	9.5
87.00885	4.9
89.02461	1.6
89.03573	2.7
94.31641	1.4
96.96029	1.8
96.96947	1.1
98.02428	1.1
103.52666	1.4
111.00870	1.6
115.00392	33.6
116.00716	1.3
116.37656	1.2
119.05080	1.5
129.01933	1.7
133.01447	100.0
134.01755	2.3
134.03790	1.5
135.04538	25.1
136.04852	1.4
175.02467	12.8
176.02893	2.0
177.02942	4.9
179.03505	27.0
180.03786	1.1
191.01974	4.6
223.04530	2.8
247.61537	1.3
295.04648	3.2
302.14697	1.1
327.08841	3.2
458.48376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03457	3.6
58.00610	3.2
59.01382	100.0
60.01727	1.7
60.99311	0.7
61.01785	0.6
61.98838	13.7
65.72559	0.6
68.99780	0.6
69.03458	1.2
71.01389	68.1
71.05020	0.8
71.74303	0.9
72.01745	2.0
72.99305	4.9
73.02956	9.2
74.02470	6.8
75.00884	1.2
78.95901	4.7
83.01392	5.1
83.05032	0.7
83.72469	0.6
85.02966	17.4
87.00887	5.1
87.04544	1.3
88.98836	2.1
89.02458	65.8
90.02815	2.1
91.02913	1.1
95.01405	5.4
96.00932	1.0
96.96047	1.4
96.97021	2.2
97.02973	1.4
99.00935	2.2
101.02460	35.2
102.02824	1.2
109.02996	1.0
111.00933	0.8
111.08250	0.6
112.98880	0.7
113.02469	28.2
114.02835	1.3
115.00396	4.2
115.04041	0.7
116.92875	1.0
119.03522	23.5
119.04945	0.9
119.63203	0.6
122.06191	1.0
123.08239	0.9
125.02531	1.4
128.03635	1.9
128.43866	0.6
129.10402	0.8
130.08821	0.9
131.03520	5.0
133.01454	3.3
134.03870	0.8
135.02991	0.7
135.04544	7.4
137.06183	0.8
139.11313	0.8
143.03519	5.5
145.03056	2.6
149.04565	5.0
150.04973	1.0
151.05139	0.9
151.11359	0.9
157.12430	1.7
161.02539	1.2
161.04607	7.9
163.04123	1.8
169.12500	0.7
175.02620	1.7
179.03482	4.6
179.05661	9.9
181.01407	1.4
187.13509	1.5
196.03871	2.2
207.08369	2.0
209.31381	0.7
211.06175	3.6
217.06555	0.6
219.08296	1.5
221.06525	2.0
225.05635	0.7
234.06856	0.6
235.07642	3.7
237.09300	1.3
239.07207	0.9
245.06248	1.5
245.08870	0.6
246.06970	0.9
247.07710	1.4
251.07150	1.2
253.08844	2.7
257.12964	0.9
263.07111	9.2
264.07779	1.6
265.08868	1.9
268.11130	1.6
275.07352	1.3
280.07681	1.4
281.08191	20.3
282.08823	2.3
291.06729	5.2
292.07703	2.6
293.08163	6.0
294.09183	2.0
295.09952	1.5
296.10526	3.3
298.11581	1.1
307.10025	0.9
308.07663	1.0
308.10519	3.4
309.07700	62.0
310.08017	6.3
323.09213	10.6
324.10010	28.1
325.10315	3.3
339.12396	66.0
340.12717	7.5
357.13489	0.7
357.19565	0.9
357.26785	1.6
375.27899	2.4
377.18314	0.8
378.37778	0.6
384.84622	0.6
403.14795	1.2
415.23309	5.9
416.24039	1.0
433.24780	2.1
449.27994	0.7
475.22433	4.5
478.26938	0.7
519.16962	1.4
519.25842	4.0
519.32404	22.7
520.26831	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	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
57.03442	0.3
58.00602	0.4
59.01379	36.9
60.01715	0.5
60.83292	0.2
61.98831	100.0
62.98533	0.2
69.03445	0.3
70.11129	0.7
71.01386	10.1
72.99344	0.2
73.02952	11.1
83.01393	3.6
85.02964	2.2
85.03436	0.3
87.00896	0.6
88.98806	0.2
89.02457	3.6
95.01403	0.4
97.02934	0.3
99.00858	0.2
101.02454	13.3
113.01688	0.4
113.02458	5.8
119.03526	2.8
125.02437	0.6
130.08702	0.4
131.03514	1.7
134.92592	0.2
137.09738	2.7
138.52704	0.2
143.03500	2.0
149.04570	2.9
155.03513	0.4
161.04567	5.7
162.04860	0.2
179.05560	0.8
189.12817	0.7
200.24217	0.2
203.05557	1.0
207.13829	0.3
221.06682	1.7
254.62630	0.2
411.19928	0.4
455.31934	0.8
456.32593	0.2
519.31451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.79086	0.2
61.98829	1.0
71.37899	0.2
71.71111	0.2
71.71445	0.2
75.37212	0.2
77.36294	0.2
77.37530	0.2
77.53996	0.2
78.95908	43.7
83.11571	0.2
92.33455	0.2
96.96973	5.9
129.92050	0.2
137.02512	0.2
150.98016	1.4
152.99605	100.0
153.99934	1.7
168.10292	0.2
171.00670	3.5
208.97078	0.2
277.21747	0.7
323.75363	0.2
352.88425	0.2
359.17996	0.2
431.22043	25.2
432.22308	3.5
518.25269	5.4
518.32343	0.2
519.26538	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04956	0.4
56.10780	0.4
57.03461	0.5
58.30685	0.4
58.92414	0.4
59.01381	33.1
60.01704	0.5
61.98834	100.0
71.01389	5.3
71.21856	0.4
71.22195	0.9
71.68979	0.4
71.70543	0.4
73.02961	2.6
73.04957	0.4
74.37859	0.4
74.49583	0.4
78.95923	0.4
83.01408	1.6
85.02987	1.7
89.02463	2.4
95.01399	0.6
101.02464	5.1
102.63593	0.4
113.02474	2.0
118.19912	0.4
119.03545	0.8
131.03505	0.4
132.92381	0.5
143.03545	0.5
149.04617	0.5
161.04593	1.5
163.11340	0.6
198.18330	0.5
298.11484	0.7
319.55237	0.5
357.26495	0.6
369.19373	1.0
411.20532	1.2
412.20847	0.5
441.28491	0.5
518.19843	1.1
519.31787	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01379	40.3
60.01712	0.5
60.64365	0.3
61.98831	100.0
63.09950	0.3
69.03448	0.5
71.01385	10.0
72.99315	0.4
73.02953	12.7
75.00880	0.4
83.01396	4.6
85.02516	0.3
85.02958	1.4
87.00898	0.4
89.02454	3.7
95.01374	0.4
99.00895	0.4
101.02457	17.7
109.68105	0.3
113.02464	6.8
115.00328	0.3
119.03523	2.7
125.02432	0.8
131.03526	1.8
137.09781	2.7
143.03505	2.3
149.04578	4.9
150.67361	0.3
155.03523	0.6
161.04568	8.4
179.05583	0.6
189.12849	0.8
201.44333	0.3
203.05571	1.2
219.80591	0.3
221.06642	2.2
411.19946	0.5
519.31659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60910	0.6
55.01871	1.0
57.03447	1.6
58.00592	3.9
59.01379	100.0
60.01706	1.2
60.94653	0.5
61.98835	9.1
69.03448	1.1
69.41925	4.7
71.01385	64.4
72.01720	1.0
72.99323	4.2
73.02947	12.3
74.02468	1.5
75.00903	0.5
76.15012	0.5
78.95923	1.9
83.01399	3.9
83.05013	0.7
85.02956	11.7
85.03449	1.0
86.00102	0.5
87.00892	2.6
88.98820	1.5
89.02451	82.9
90.02789	1.7
90.59102	0.5
91.57069	0.5
95.01400	1.3
96.96947	1.7
97.02943	1.2
98.20657	1.1
99.00876	1.8
99.04516	0.8
101.02454	40.3
102.02791	1.4
102.05624	0.5
113.02462	16.0
114.02796	0.7
115.00374	2.3
116.92856	1.0
119.02745	0.7
119.03513	7.5
125.02441	2.3
128.03522	1.9
131.03520	27.4
132.03804	0.6
133.01424	2.2
135.02950	1.2
135.04518	1.3
136.07767	0.5
143.03484	1.6
149.04572	61.6
150.04868	1.9
152.07137	0.6
153.09242	0.8
154.99838	0.9
161.04517	3.2
161.05833	0.9
163.03979	0.8
175.02441	1.7
175.07600	0.7
177.12779	0.7
179.05545	1.4
191.03951	0.8
191.05611	11.1
199.17970	0.5
205.12332	6.0
251.07745	0.8
281.08295	0.8
311.09567	1.6
344.87949	0.6
349.60657	0.6
355.08386	0.5
413.21451	1.2
431.22745	0.7
457.24304	0.9
473.19739	0.7
517.22430	3.3
517.29340	2.3
518.25299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49123	0.5
53.68353	0.6
59.01381	23.9
61.98837	1.3
69.03436	0.7
69.48367	3.6
69.48800	2.1
71.01392	5.0
73.02951	1.1
74.02470	1.0
83.01395	8.9
84.77221	0.6
85.02959	2.1
87.00914	0.8
89.02427	0.8
93.03470	25.2
94.03806	0.9
96.96030	1.6
96.96962	0.7
97.02955	1.8
101.02467	1.7
109.02968	0.6
110.00087	1.4
111.00897	88.1
112.01234	1.7
113.02473	1.9
115.00388	2.5
116.92899	1.3
117.03481	1.2
119.05036	17.4
120.05363	1.0
120.57890	0.6
123.04517	1.4
125.02451	0.7
127.05170	0.8
128.03534	1.6
131.05067	0.7
132.05827	2.3
133.01445	2.1
133.02966	1.3
133.06622	9.7
134.03758	1.0
134.07013	0.6
135.04555	1.2
145.02972	1.4
145.06543	1.5
146.03752	2.2
147.04549	4.6
149.02509	0.9
149.06105	1.9
151.07730	0.8
159.04538	1.6
160.05367	0.7
161.06102	100.0
162.06413	5.4
163.04065	3.1
172.05298	1.2
173.06088	14.9
174.06432	1.4
175.04042	1.0
175.07666	0.9
179.07173	1.8
184.77725	0.6
187.04103	0.6
193.05089	1.3
203.03532	3.1
203.07147	11.9
204.03934	0.6
204.07494	1.0
205.05066	44.5
206.05391	2.7
207.10202	0.8
212.99915	0.6
215.07108	5.6
217.05048	1.2
229.05034	1.8
233.08217	3.8
247.06079	4.5
251.09193	5.2
259.06100	1.1
277.07156	27.6
278.07529	2.5
295.08243	91.1
296.08566	7.4
319.39682	0.6
365.12460	2.1
367.10358	90.0
368.10620	9.4
397.11334	0.8
409.11545	3.3
457.13397	4.2
458.13315	0.7
473.16629	0.8
517.27435	1.8
518.23639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.4
63.54138	0.9
71.01385	15.5
72.00904	2.8
72.99299	2.1
73.02951	1.8
75.39214	1.1
85.02953	1.9
87.00883	27.9
89.03572	7.2
91.49954	1.2
98.19888	1.9
101.02453	2.2
112.98856	1.1
113.02451	1.8
115.00391	44.1
132.04184	7.3
162.79399	1.1
173.09309	4.0
174.07790	3.3
175.02496	100.0
175.04816	4.6
176.02803	4.1
213.40685	1.0
249.45895	1.2
264.88943	1.2
341.11151	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	515.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
61.98834	10.8
70.89065	1.5
70.89393	1.6
78.95909	18.8
112.82750	1.0
140.01164	4.7
152.99594	6.6
158.27002	0.9
158.59760	1.1
196.03810	8.6
214.04866	1.9
255.23294	100.0
256.23682	9.4
443.69629	1.0
452.27808	64.0
453.28021	10.9
464.49139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2859
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
51.51059	0.3
55.01880	0.3
57.03452	0.6
58.00602	0.6
59.01379	100.0
59.39532	0.3
60.01707	1.2
60.28394	0.3
61.98827	2.1
62.92147	0.3
63.26192	0.3
70.23265	0.3
71.01384	15.3
71.74111	0.4
72.01719	0.3
72.99323	1.1
73.02950	11.2
75.00873	0.4
81.88070	0.3
83.01389	3.4
85.02962	3.4
85.34763	0.3
87.00886	0.6
89.02457	5.3
95.01413	0.9
96.96021	0.5
97.02927	0.3
99.00893	0.6
99.04495	0.3
101.02457	11.3
113.02462	4.0
119.03510	1.9
125.02481	0.9
131.03499	0.5
143.03551	0.7
161.04576	1.0
161.20052	0.3
187.57875	0.3
217.19748	0.3
221.08276	0.5
232.58069	0.3
244.74622	0.3
275.20074	0.6
293.21231	1.9
303.79880	0.3
336.04477	0.3
381.11935	1.3
395.24112	0.5
413.25372	0.5
437.25620	0.5
455.26437	2.2
456.26801	0.4
469.25830	0.3
473.27481	4.4
474.27798	0.4
497.27536	5.2
498.27643	0.9
513.71564	0.3
515.28589	99.7
516.28925	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83670	0.4
54.33707	0.5
59.01379	100.0
60.01712	1.1
61.98565	0.4
61.98830	3.3
65.92544	0.4
67.19503	0.4
70.12924	2.3
71.01385	7.7
71.05083	0.7
72.88934	0.4
73.02961	1.4
74.79974	0.5
78.95876	0.7
83.01415	0.7
84.86597	0.5
85.02989	1.1
89.02483	0.9
89.06077	0.6
96.96014	0.6
101.02487	2.0
113.02494	1.3
121.03012	1.9
125.02486	0.5
134.03772	0.6
163.05057	0.5
165.01993	0.5
221.08217	2.2
233.10385	0.8
237.07658	1.1
287.77551	0.5
291.08832	0.7
293.21240	0.7
381.11841	9.0
382.12512	1.0
438.98233	0.5
512.31079	0.5
515.28223	4.7
516.28485	0.5
521.32935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06337	0.6
57.03444	3.8
58.00591	1.1
59.01379	100.0
60.01726	1.0
60.22146	0.6
61.98835	4.3
69.03452	0.8
71.01386	16.1
71.01762	1.2
71.05036	0.9
73.02951	20.6
79.82241	0.7
81.03484	1.4
83.01406	6.0
83.05054	2.3
85.02961	4.0
87.00887	4.5
88.98780	0.8
89.02473	2.8
95.01432	1.0
97.06624	4.6
98.20721	1.4
99.00909	0.8
101.02454	14.4
101.03094	1.1
104.94206	0.7
105.07162	0.7
107.05042	9.2
113.02454	5.8
115.00354	1.5
119.03516	0.7
120.05849	2.6
125.02467	1.7
131.03534	0.8
133.01474	2.2
135.04561	4.0
141.05605	0.8
143.03522	1.0
152.04785	1.3
154.99886	1.5
155.10857	1.4
157.06610	0.9
159.08217	1.7
159.11874	1.0
161.04617	3.0
161.09746	12.4
161.13397	5.8
163.11343	2.5
185.13483	0.7
187.11293	18.2
188.11633	2.0
189.09177	6.4
203.05647	1.0
203.10837	2.6
205.12386	7.5
206.12692	0.8
207.10364	3.3
223.13396	66.2
224.13730	5.7
229.12354	1.5
229.69724	0.8
230.47639	0.6
231.10338	0.8
249.11285	7.5
265.14548	1.8
267.12360	58.3
268.12708	5.3
291.12341	0.8
309.13351	0.9
413.22037	0.8
471.18365	11.8
472.18857	1.2
515.13635	0.8
515.30408	1.4
516.25421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00583	0.6
55.01899	0.7
57.03448	4.1
59.01379	100.0
60.01711	0.8
61.98832	13.0
66.80570	0.6
71.00766	0.7
71.01385	14.6
71.05025	2.0
71.73867	0.9
72.51797	0.6
72.99323	1.2
73.02955	14.8
74.02486	0.8
75.00883	1.2
78.95938	0.7
83.01405	4.7
83.05053	2.0
85.02962	3.2
87.00885	8.2
87.28187	0.8
89.02452	3.8
95.05041	1.2
96.00916	0.8
96.96058	1.1
96.96989	0.7
97.06589	3.7
99.00954	1.0
101.02459	11.4
107.05032	8.3
108.08183	0.7
108.20714	0.6
109.04160	0.6
113.02474	5.7
113.84286	0.6
115.00414	1.4
116.52806	0.6
119.03572	1.4
119.05044	1.2
120.05850	3.9
122.06177	0.8
127.05212	1.3
128.03589	1.6
130.08771	2.4
133.10291	0.6
135.04544	3.0
141.05629	0.8
143.03525	1.7
152.04822	1.1
154.99905	0.8
157.06664	0.8
159.08183	1.5
159.11823	1.3
161.04630	2.2
161.07370	0.7
161.09749	13.3
161.13390	6.8
162.10118	1.0
163.11295	4.5
175.02498	0.8
176.07207	1.8
179.10876	0.8
185.11917	0.8
185.13368	1.2
186.12480	1.7
187.11308	19.7
188.11746	1.2
189.09235	7.9
190.09593	0.9
203.10873	2.2
205.12402	6.5
207.10335	2.8
223.13390	65.4
224.13696	4.3
229.10370	0.7
229.12299	4.1
236.16588	2.5
236.50108	0.6
249.11356	7.3
250.11493	0.9
267.12350	63.7
268.12726	5.8
275.79614	0.6
278.17648	1.3
291.12408	1.4
304.44501	0.7
309.13477	1.6
341.31946	0.9
349.20807	0.8
470.29761	1.0
471.18536	9.0
472.19327	1.8
514.32581	2.5
515.25116	2.8
515.33270	2.6
516.27399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11370	0.3
50.35308	0.3
57.43295	0.3
58.03024	4.1
59.01380	7.5
61.98833	4.9
69.95298	2.0
71.01379	1.8
72.47504	0.3
72.99368	0.4
73.03013	0.9
73.04078	2.5
74.02478	17.9
82.06684	0.5
83.05088	0.7
85.03010	0.8
85.92197	0.3
87.00939	0.7
87.05651	3.8
88.04099	0.6
89.02526	1.0
96.04676	0.4
96.97077	0.4
97.04160	1.3
98.02505	1.8
101.02520	1.3
101.07286	1.0
102.05688	0.5
111.04449	0.3
112.02849	0.7
112.07765	0.4
113.02502	0.6
115.00431	0.7
115.05156	2.8
116.03625	0.9
119.03478	0.3
126.09239	1.6
128.03633	1.3
129.10359	11.0
130.08760	3.2
135.03085	0.7
140.07219	1.7
140.10910	0.7
141.10431	0.6
143.11914	11.3
144.12337	0.5
151.08769	2.6
152.07268	1.2
153.05446	1.9
153.10349	4.0
155.00085	0.4
155.08385	0.4
155.11929	1.9
157.13551	0.8
165.10448	0.5
166.08855	1.0
167.12015	0.8
168.11438	10.4
169.09927	3.0
169.11893	0.4
175.02573	0.7
179.11867	2.1
182.13112	0.7
183.11421	4.0
183.12753	0.3
186.12479	7.7
187.10858	4.0
187.12436	0.4
196.14597	0.4
200.14119	1.5
210.12480	29.3
211.10991	0.6
211.12875	2.2
212.14067	0.4
214.15611	17.9
215.15985	1.3
223.10924	0.4
228.13539	15.0
229.13876	0.8
239.15045	0.4
240.13602	0.5
252.20964	0.5
257.16306	0.6
258.14514	2.0
281.16144	0.4
299.17386	0.5
300.15726	0.5
309.23022	0.8
327.24036	9.2
328.24161	0.6
371.22977	1.8
384.26135	2.9
411.08829	0.4
426.27170	1.1
428.25229	0.7
470.26199	100.0
471.26492	14.2
471.33255	0.6
496.28156	1.7
514.28772	23.4
515.29340	3.6
543.01910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	0.9
59.01398	0.7
60.83409	0.7
63.59509	0.6
67.01891	0.6
71.01392	0.9
71.67722	0.6
71.68056	0.8
73.04076	1.8
74.02483	9.6
80.05099	0.6
82.02994	5.9
84.00918	2.5
84.04580	1.9
85.04082	0.7
87.05640	1.6
94.02975	1.4
96.96025	1.8
99.01998	1.3
99.05664	1.3
102.05620	18.9
109.04095	1.2
113.03621	1.0
113.07224	18.7
114.05634	1.4
115.00372	1.7
115.08768	3.6
123.05679	5.1
124.04053	11.0
125.03565	0.9
126.01994	6.2
127.05148	6.5
127.08830	1.1
128.03555	100.0
129.03912	2.7
129.89734	0.6
133.01454	7.9
135.04601	1.3
138.05676	0.7
139.05159	0.7
140.08276	1.0
141.06734	3.8
146.04608	26.6
153.06699	2.6
155.08250	5.8
156.06702	1.0
159.07797	4.8
165.06703	0.6
166.06265	1.2
166.09846	1.5
167.04643	16.2
168.05019	0.8
170.09409	1.0
172.10867	0.7
179.03511	1.6
180.11435	1.4
184.10909	5.6
185.05714	4.3
194.13112	0.8
195.07799	1.4
196.10884	0.8
198.12473	1.7
203.06668	1.1
206.09451	1.4
209.10509	2.1
210.12608	0.7
211.07251	2.6
212.14052	1.0
213.08823	1.0
223.10803	1.0
224.10428	5.4
227.11420	0.8
237.13635	2.9
238.11931	0.8
241.12997	1.4
255.14595	10.0
256.15088	0.7
266.11438	16.5
267.11801	1.3
269.16031	1.2
279.14590	1.5
284.12561	4.9
299.13498	0.9
323.13748	0.7
341.14691	24.1
342.15009	2.6
349.15109	1.3
384.18927	1.4
385.17236	13.5
386.17786	1.8
403.92706	0.6
426.19965	1.7
452.18057	0.7
454.70862	0.6
470.18860	34.9
471.19125	5.2
496.20465	1.0
514.21503	77.0
515.21820	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10679	0.0
55.01874	0.3
57.03440	0.1
58.00573	0.2
59.01377	5.6
59.25904	0.0
60.01714	0.1
68.99819	0.1
69.03452	0.1
70.91387	0.1
70.91723	0.1
71.01384	4.8
72.01718	0.1
72.99299	0.3
73.02949	1.1
78.95924	0.1
81.03469	0.0
83.01396	0.6
83.05025	0.1
85.02956	1.1
87.00883	0.6
88.14204	0.0
89.02453	3.3
90.02785	0.1
91.04019	0.2
93.03481	0.0
95.01396	0.4
97.02979	0.2
97.06602	0.1
99.00896	0.2
99.04513	0.1
101.02455	4.5
102.02806	0.1
103.04020	0.1
109.02989	0.1
111.00931	0.0
113.02464	2.1
113.06092	0.1
114.02782	0.0
115.04020	0.1
119.03519	0.9
125.02472	0.2
127.07669	0.3
129.01933	0.1
131.03535	0.2
133.05075	0.3
141.09238	0.0
143.03525	0.4
143.58817	0.0
145.05074	0.1
149.04585	0.1
152.99596	0.2
157.05093	0.1
161.04575	1.6
162.05005	0.0
179.05650	0.5
182.13229	0.0
187.06186	0.1
199.45747	0.0
205.19559	0.1
214.12184	0.0
218.09131	0.0
219.14058	0.0
233.22742	0.4
235.08211	1.4
235.10616	0.1
236.08464	0.1
253.09271	15.5
254.09621	0.9
259.20526	0.3
260.21112	0.0
275.20044	0.3
277.21704	100.0
278.22046	12.2
291.23184	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03445	0.1
58.00325	0.0
58.00589	0.3
59.01379	6.0
59.98518	0.0
60.01709	0.1
61.98832	0.0
66.18693	0.0
69.03457	0.1
71.01385	5.1
71.72187	0.0
72.01720	0.1
72.99311	0.3
73.02953	1.0
75.00880	0.1
78.95912	0.2
81.03461	0.1
83.01392	0.6
83.05022	0.2
84.02208	0.0
85.02959	1.2
86.00095	0.1
86.03317	0.0
87.00883	0.7
89.02453	3.6
90.02776	0.0
91.04012	0.2
95.01403	0.4
97.02947	0.2
97.06603	0.1
98.38744	0.0
99.00893	0.3
99.04538	0.1
101.02457	4.9
102.02802	0.1
103.04029	0.2
109.02957	0.0
111.00909	0.0
111.04565	0.1
112.01631	0.0
113.02466	2.3
113.06133	0.1
113.27342	0.0
114.02785	0.1
115.04006	0.2
119.03513	0.9
121.02972	0.0
124.55960	0.0
125.02493	0.2
127.03936	0.0
127.07666	0.2
129.01944	0.0
131.03543	0.1
133.05080	0.3
138.62303	0.0
139.03995	0.0
141.09280	0.0
143.03525	0.4
144.03883	0.0
145.05031	0.0
149.04570	0.1
152.99590	0.2
157.05122	0.2
161.04578	1.7
162.04991	0.1
163.18359	0.0
177.16537	0.0
179.05638	0.6
182.13263	0.1
183.13695	0.0
186.17358	0.0
187.06149	0.1
197.11839	0.1
205.19629	0.1
208.14519	0.0
214.12209	0.0
217.07074	0.0
233.22853	0.3
235.08217	1.3
236.08551	0.1
247.95834	0.0
253.09279	17.2
254.09642	1.1
257.18820	0.0
259.20657	0.4
275.20108	0.4
276.20514	0.0
277.21710	100.0
278.22043	12.3
431.22049	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	512.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
59.01379	15.7
61.98834	13.2
70.02988	0.5
71.01388	6.5
71.73032	0.6
72.00930	0.5
72.99332	0.9
73.02968	2.0
74.02475	9.6
78.95919	0.5
83.01416	1.4
83.05072	0.6
84.04547	1.9
85.02963	1.1
87.00883	3.7
87.05666	1.5
88.98864	0.5
89.02473	1.5
94.06647	0.5
95.05072	0.5
96.31798	0.4
96.96041	0.5
97.06593	0.4
98.02508	0.4
99.00906	0.6
101.02449	3.5
101.31647	0.4
104.03549	3.9
106.06664	0.6
108.04620	0.4
110.06120	2.4
110.64932	0.3
111.00923	0.9
113.02483	2.5
113.99668	0.4
115.00385	6.9
116.03548	3.0
116.07193	13.1
119.03524	0.8
121.05374	1.3
121.06649	0.4
122.06123	3.9
124.07735	0.6
125.02397	0.4
126.05625	0.6
127.05173	0.6
129.10384	1.1
130.08757	0.9
131.03496	0.9
132.04630	0.5
133.01509	0.8
134.06154	0.5
135.04567	1.6
136.99706	0.4
139.00432	0.9
140.07234	0.4
143.03528	0.4
143.04578	0.5
144.04556	3.9
146.04697	1.1
146.06134	0.7
147.03224	0.5
150.05659	0.9
151.00417	0.9
154.99864	0.8
157.01477	1.2
160.04082	1.3
161.04796	2.4
162.05646	1.7
171.15063	4.1
172.04060	3.0
173.04865	0.9
174.01965	0.4
174.05640	1.3
175.02483	10.3
179.03499	0.5
179.05727	0.4
188.03644	0.8
189.04126	0.4
190.05212	0.6
200.14024	4.9
201.14494	0.4
202.05167	0.4
203.05928	2.1
204.06667	7.9
205.03746	0.5
205.07207	0.4
211.08716	0.5
212.05902	4.9
215.14034	1.1
221.06776	0.6
223.08777	0.7
225.06831	1.2
226.07509	0.7
226.95352	0.4
227.08382	0.5
227.11874	0.8
236.09572	0.6
237.10326	4.4
239.08284	3.9
239.11948	0.5
240.09029	1.4
241.09785	0.9
242.10477	0.4
249.15039	0.5
251.08429	0.7
251.11836	2.6
252.12636	4.1
253.06168	5.0
253.09773	3.7
254.10515	1.8
255.11383	2.0
265.06253	0.7
266.06958	1.6
267.07825	6.6
267.11459	2.6
268.08444	4.1
268.12015	3.6
269.09064	0.8
269.12979	1.6
278.10825	0.6
279.07767	0.6
279.11426	0.4
280.08667	2.5
281.09311	12.7
282.09891	1.9
284.23471	3.2
285.08881	2.4
285.12033	0.6
287.05640	1.0
295.10904	7.9
296.11652	17.1
297.09039	0.7
297.12244	1.7
298.11508	0.5
299.10358	3.0
300.11118	2.3
309.09247	0.7
310.16797	0.6
311.10406	2.1
313.11862	2.8
325.11929	1.1
327.13684	0.8
328.10757	5.3
328.14282	1.2
329.11386	1.8
338.19012	0.5
340.10681	1.2
343.13052	0.6
344.13538	0.6
354.15796	1.5
360.13376	0.8
362.19025	0.6
374.18951	1.6
376.17010	0.5
388.13144	0.5
392.20102	0.5
397.32001	0.4
406.17941	1.7
408.15692	0.4
418.17728	8.5
419.18307	1.4
434.17273	0.4
436.18802	7.3
437.19308	1.2
449.10626	0.8
450.20953	1.0
462.16797	2.1
468.22122	0.6
468.35757	0.7
469.21341	0.6
480.17801	12.1
481.18277	1.6
482.19031	0.5
494.19385	3.2
495.19708	0.6
512.20447	100.0
512.34271	24.7
513.20819	16.8
513.34399	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	512.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28976	0.3
55.01890	0.5
56.80198	0.3
57.03448	1.0
59.01380	18.5
60.01720	0.5
61.98832	16.2
69.03485	0.6
71.01390	7.4
71.72523	0.6
72.00916	0.4
72.01772	0.4
72.99310	0.6
73.02942	3.0
74.02480	8.0
75.00865	0.5
78.95947	0.7
81.03498	0.6
83.01384	1.8
83.05026	0.4
84.04561	1.8
85.02972	2.2
87.00889	3.9
87.05641	1.9
89.02462	1.9
94.06647	0.7
95.01372	0.5
95.05032	0.7
96.96055	0.4
98.02499	0.5
99.00911	0.8
99.04504	0.5
101.02456	4.0
102.02866	0.6
104.03549	4.0
106.06638	0.7
108.04585	0.5
110.06133	2.6
112.98784	0.4
113.02473	2.4
115.00382	5.5
116.03542	3.2
116.07193	14.8
119.03525	0.8
119.05088	0.4
121.05389	1.1
122.06142	4.7
123.03284	0.4
124.04093	0.5
124.07716	0.8
125.02551	0.4
126.05621	0.4
127.05121	0.5
129.10399	1.1
130.08765	0.5
131.03534	0.7
133.01459	1.0
135.03123	0.3
135.04558	1.5
138.05672	0.7
143.03561	0.9
144.04573	3.4
146.04639	0.9
146.06175	1.0
147.03194	0.6
149.09702	0.4
150.05656	0.9
151.00406	1.1
153.09274	0.4
154.07520	0.4
154.99927	0.8
157.01486	1.0
160.04054	1.9
161.04753	3.2
162.05650	1.4
163.06526	0.4
171.15050	3.8
172.04080	3.2
173.04839	1.0
174.05621	1.9
175.02499	9.9
175.03944	0.6
175.06448	0.5
176.07243	0.3
179.05629	0.8
183.11404	0.9
186.05702	0.4
188.03577	1.6
189.04332	0.8
190.05066	0.7
200.14059	5.5
201.14342	0.4
203.05914	2.6
204.06683	6.4
204.08514	0.4
205.07155	0.4
205.12442	0.4
207.10367	0.7
209.10974	0.4
211.08861	0.8
211.14784	0.4
212.05942	4.9
213.06339	0.5
215.14046	1.1
221.06673	0.8
223.08836	0.7
224.07199	0.4
225.06789	1.3
225.10417	0.8
227.12021	1.2
228.12706	0.6
236.09599	0.6
237.10268	4.2
238.08813	0.5
238.10873	0.6
239.08293	4.2
239.11852	0.5
240.08926	1.8
241.09863	1.3
245.09404	0.6
251.11873	3.2
252.10239	0.7
252.12590	4.3
253.06175	4.5
253.09938	4.2
253.13411	0.5
254.10513	1.1
255.11412	2.5
256.20490	0.4
263.08109	0.5
266.07034	1.4
267.07819	7.2
267.11459	3.0
268.08560	3.8
268.12073	3.3
269.09177	0.7
269.12906	1.6
271.10886	0.4
278.10660	0.4
279.07828	1.0
279.11371	0.6
280.08624	2.6
281.09305	13.1
282.09860	1.6
283.10977	0.6
284.23425	3.9
285.08777	2.1
285.12161	0.4
286.09415	0.5
287.05713	1.2
292.11414	0.6
294.10284	0.4
295.10907	7.8
296.11670	16.8
297.08975	0.7
297.12280	2.2
298.11407	1.3
298.61536	0.5
299.10367	3.8
300.11011	1.8
301.11899	0.4
310.09552	0.4
310.16772	0.6
311.10406	2.0
313.11948	2.6
314.12552	0.7
325.12134	1.3
327.13623	1.5
328.10733	5.2
328.14404	1.6
329.11380	2.0
340.10794	1.7
343.13080	1.0
344.14099	0.8
354.15497	2.0
360.13522	0.8
362.18713	0.6
372.13150	0.9
374.18954	1.4
392.20114	0.6
397.32181	0.6
406.17981	1.6
418.17737	7.6
419.17978	1.0
436.18765	6.9
437.19278	0.8
449.11038	1.0
450.20654	1.5
462.16818	1.8
468.20459	0.8
469.21011	0.8
480.17764	13.3
481.18091	2.7
482.16220	0.6
482.66714	0.6
494.19177	3.3
495.19736	0.7
497.16873	0.7
497.66684	0.4
511.29620	0.6
512.20453	100.0
512.34314	26.0
513.20789	16.9
513.33813	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	14.2
60.01696	0.6
61.90840	0.6
61.98832	85.5
62.22784	0.7
70.75600	1.3
70.75988	2.0
71.01389	9.2
72.71495	0.7
73.02946	4.2
74.02483	1.6
75.00896	0.8
75.38013	0.6
83.01389	2.3
85.02962	2.4
87.00867	1.3
89.02473	0.8
91.03394	0.8
93.03455	0.8
96.95964	0.6
99.00893	1.0
100.47280	0.6
101.02461	3.2
113.02454	2.2
113.99640	1.1
115.00374	2.1
119.05054	8.2
120.05387	2.1
125.02527	0.7
133.01500	1.2
135.04541	1.7
136.99100	0.7
145.15726	0.7
151.00398	2.7
154.99873	2.3
155.02933	0.7
161.04581	1.2
163.04045	2.3
227.03500	31.7
228.03914	2.6
229.05173	1.0
243.03018	0.9
255.02980	44.7
256.03592	6.2
271.02487	1.7
272.11295	0.8
283.02444	0.9
284.03259	53.3
285.03931	20.4
286.04321	2.1
300.02771	3.1
301.03400	2.7
301.06516	0.8
391.27020	2.4
405.25089	1.1
407.47806	0.7
447.09329	100.0
448.09619	12.3
449.27643	1.4
451.12680	1.6
451.62622	10.6
452.12689	2.6
509.29660	4.5
510.19504	1.7
510.28250	1.0
511.21658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95095	1.2
59.01379	30.6
60.36356	1.0
61.98833	23.1
67.41976	1.3
69.85547	1.2
71.01389	10.9
71.74210	1.3
73.02958	6.7
78.95920	1.8
82.05527	1.2
83.01398	2.4
85.02958	3.6
87.00884	1.9
87.79984	1.3
88.98824	1.5
89.02470	3.6
93.95759	1.1
97.02959	1.2
99.00893	1.0
101.02460	6.6
103.75559	1.1
106.06663	3.9
113.02484	3.8
122.06149	3.8
131.03514	1.8
137.09732	1.7
161.04634	1.3
170.26695	1.1
174.97281	8.3
175.02518	2.0
179.05704	2.4
185.11890	2.9
197.11859	4.0
221.06502	1.1
225.03020	1.0
226.07660	1.3
238.18115	2.1
253.06259	6.0
254.06828	4.6
255.11395	5.1
256.19229	1.7
265.09842	1.5
267.07883	1.3
270.17056	2.4
281.05710	5.9
281.09048	2.3
282.06308	3.1
282.09882	2.5
283.10797	14.6
285.12659	2.2
289.18042	1.6
290.11819	2.6
295.07520	1.7
309.08871	1.9
311.10339	12.4
312.11014	5.9
314.65860	1.3
329.11575	1.9
336.09860	3.1
341.11386	4.6
342.12207	13.8
343.12985	3.1
347.10199	1.9
348.10022	1.7
362.11893	4.3
363.13095	1.3
363.17249	1.7
376.13364	3.4
377.13873	2.1
378.14365	1.4
383.41876	1.3
389.15112	1.3
390.10455	2.2
390.14740	1.8
391.16501	2.9
392.16431	1.7
404.12503	3.5
405.13324	20.3
406.13611	3.3
416.16318	2.5
418.14127	2.6
419.14944	10.6
420.15366	1.9
432.15448	1.8
434.17203	100.0
435.17517	14.6
438.16711	2.4
438.23914	1.3
447.09406	1.5
460.15015	7.5
461.15121	1.6
478.16165	79.2
479.16489	12.9
492.17697	1.7
492.33240	1.9
502.91904	1.3
509.35962	3.5
510.18698	36.6
510.26028	2.4
510.34540	9.6
511.19116	6.0
511.26004	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
59.14851	0.2
70.00378	0.5
70.00794	1.0
72.28525	0.2
78.95908	8.5
87.21352	0.2
96.96964	0.8
117.54146	0.2
152.99611	14.5
153.99986	0.2
163.06227	0.2
167.12360	0.2
171.00679	1.5
227.03282	2.5
245.04320	1.7
261.22147	0.5
279.23282	100.0
280.23621	11.6
282.25235	0.5
507.27261	36.3
508.27548	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2885
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
58.85467	0.2
61.89532	0.2
61.98831	3.6
70.74693	0.5
70.75072	0.8
78.95908	19.0
96.96966	1.9
110.98532	0.4
122.13737	0.2
150.98007	0.3
152.99609	31.3
153.99931	0.4
167.01093	0.3
170.43825	0.3
171.00685	1.3
180.90099	0.3
185.02089	0.3
196.89508	1.7
221.63690	0.3
227.03244	4.0
245.04352	1.8
255.23402	0.4
256.23560	2.1
281.24854	100.0
282.25186	10.9
410.58011	0.3
417.24182	0.8
424.25592	1.0
509.28836	59.4
510.29190	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04618	0.9
57.03446	5.6
59.01381	100.0
60.01712	1.7
61.93730	1.1
61.98830	16.4
69.03451	2.0
69.96334	2.2
69.96754	4.6
71.01386	37.8
71.05030	1.4
72.99326	3.0
73.02953	41.1
75.00861	1.6
79.05549	3.1
81.03468	1.2
83.01393	12.2
83.05045	1.1
85.02959	6.7
87.00898	2.8
88.98824	3.6
89.02460	8.7
96.00944	1.2
97.06574	2.0
98.20618	1.2
99.00904	1.8
99.04514	2.2
101.02460	37.5
101.70197	1.3
103.21412	1.0
113.02457	17.0
113.03604	1.4
115.00374	3.0
116.92868	1.2
119.03525	4.8
119.05087	0.9
123.08170	2.0
125.02467	1.2
125.09744	59.8
126.10085	2.9
128.03549	2.2
131.03566	2.4
133.01419	1.8
135.03053	1.6
141.05611	1.6
143.03529	4.2
149.04587	4.8
154.99916	1.8
161.04587	13.6
175.02420	1.9
194.35188	1.0
207.13913	4.0
221.06680	3.6
225.12730	1.5
225.14966	25.8
226.15338	1.4
243.16045	1.5
255.56500	1.0
301.11887	1.0
303.13419	1.4
387.20288	19.8
388.20615	2.5
389.25430	8.3
390.25909	1.1
405.21204	5.8
433.20609	1.0
447.22235	54.3
448.22723	7.2
492.39835	1.4
507.20410	2.1
507.27805	14.1
508.28488	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53164	0.6
57.03449	1.7
58.00590	0.9
59.01379	100.0
60.01712	1.8
61.98832	44.8
71.01388	29.7
71.02484	0.8
72.99320	2.8
73.02953	26.4
73.04057	0.9
74.02484	2.6
75.00892	2.3
81.03453	1.0
83.01403	8.9
85.02951	4.5
87.00886	2.4
87.05676	0.9
88.98814	2.7
89.02456	8.0
95.01421	0.9
95.83352	0.7
96.00936	1.2
96.96087	0.8
99.00876	1.4
99.04563	1.1
99.05615	0.8
101.02455	32.2
102.05644	0.7
103.00365	0.7
105.01951	0.7
109.02978	3.1
109.04070	0.9
113.02462	14.1
115.00392	10.3
116.92849	1.3
119.03515	4.5
119.05038	1.3
120.01285	3.1
121.02992	1.8
122.00854	1.8
123.04573	1.1
125.02495	2.2
127.05115	1.1
128.03587	5.2
129.10330	1.2
130.08754	1.4
131.03523	2.8
132.04578	1.4
133.01448	8.4
134.03787	1.6
135.03012	1.0
135.04547	25.5
136.02061	0.7
136.04861	1.9
143.03526	3.0
143.04591	1.4
143.11940	0.8
145.06216	0.9
147.04442	0.7
148.05298	1.7
149.02530	2.2
149.04568	9.1
149.05902	1.0
149.09737	7.3
150.00056	0.7
150.03258	1.6
151.04042	1.0
155.03578	1.5
161.04582	10.0
161.05902	1.1
163.04015	1.0
164.07140	0.9
165.04367	0.9
165.05626	2.8
167.10785	12.1
169.09891	0.8
175.02567	1.3
175.04053	1.2
179.03506	20.6
179.05293	1.3
179.05742	1.5
180.04099	1.1
180.06667	1.3
181.01440	1.4
181.08711	1.0
187.06160	2.4
193.05057	4.4
195.06657	1.9
196.03844	2.1
203.05652	2.0
210.05707	1.2
211.06094	3.6
221.06664	3.9
222.15018	3.9
225.14949	4.6
227.10751	1.7
234.14996	6.6
235.15466	0.8
236.16632	2.3
240.16107	3.0
243.10266	1.4
243.15919	0.9
252.16130	2.5
254.17699	4.0
255.18213	0.7
256.20389	1.3
257.13028	1.1
259.13437	0.9
270.17096	12.4
271.06293	1.0
271.09570	0.8
271.17627	1.1
277.12698	0.8
285.07889	1.5
285.11432	2.1
306.07825	2.6
315.08838	1.1
315.12448	1.0
329.10272	13.3
330.10672	1.9
341.10541	1.5
341.60437	0.7
345.10406	3.3
347.11343	3.8
369.13644	0.9
387.20102	5.0
391.10257	6.1
392.10898	1.1
405.21442	2.2
419.19202	1.0
444.24637	0.9
447.22348	9.4
448.22653	1.6
463.21368	3.4
464.23267	0.8
472.21094	0.9
507.25354	4.8
507.34613	17.6
508.15869	0.8
508.23822	1.5
508.34970	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03444	2.2
58.00589	2.9
59.01379	100.0
60.01706	1.4
61.98832	12.2
69.41106	7.9
69.41522	2.1
71.01387	47.2
72.01703	1.3
72.99312	4.2
73.02962	7.5
78.95908	1.6
83.01409	4.6
83.01817	0.8
83.05027	2.0
85.02964	12.8
87.00893	3.4
87.04523	1.3
87.99537	1.0
89.02457	45.1
90.16070	0.9
91.85743	0.9
95.01406	2.8
96.96008	1.9
96.96989	1.8
97.06654	1.1
98.19911	2.1
99.00897	2.0
101.01775	1.7
101.02454	31.2
111.00896	0.9
113.02464	19.4
114.02802	1.4
115.00440	2.2
115.04060	1.0
115.05154	1.1
119.03515	15.6
122.06091	1.0
125.02472	1.4
125.09714	4.4
128.23460	0.9
129.10365	3.4
131.03520	6.8
133.01462	1.2
135.04471	1.0
140.07150	1.6
143.03523	4.9
149.04579	15.1
152.07088	1.3
154.99988	0.9
155.11887	1.2
161.04576	5.8
168.07759	1.2
168.11433	3.7
171.08191	1.1
179.05629	13.7
180.05850	0.9
183.11365	2.7
186.08844	1.8
186.12480	4.1
191.05638	2.8
201.98715	1.1
209.11856	0.9
210.12517	12.9
211.10852	1.2
228.13521	9.2
254.17419	1.2
268.15439	1.2
270.16992	1.5
315.18185	14.7
395.23019	1.8
409.14478	1.2
427.25574	30.7
428.25958	3.2
445.24762	2.0
447.22321	33.7
447.28549	1.5
448.22818	4.6
463.25482	22.9
464.25671	3.8
466.86874	1.1
506.34296	1.6
507.14246	2.0
507.27710	9.8
507.35187	7.9
508.16754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01383	100.0
60.01725	1.9
61.98839	9.4
64.63756	1.1
70.17169	1.8
70.17583	4.9
71.01386	37.2
72.01733	1.2
72.99322	3.0
73.02954	37.1
75.00893	2.3
77.72157	1.2
79.05566	2.5
80.04971	1.4
83.01402	11.3
85.02970	7.8
87.00890	3.1
87.36658	1.0
88.98809	1.4
89.02460	12.3
95.01369	1.6
97.06595	4.1
99.00898	1.6
100.76463	1.2
101.02458	33.4
102.02821	1.8
107.05082	1.1
109.02986	1.8
112.46416	1.1
113.02475	15.1
115.00413	5.4
119.03514	6.6
119.05040	1.5
119.26663	1.1
120.99664	1.7
123.04523	1.8
126.17591	1.2
128.03592	7.0
130.08728	1.4
131.03528	2.5
133.01434	2.8
135.04539	16.1
137.02425	1.5
139.72446	1.1
140.34460	1.3
141.05600	1.9
143.03525	3.6
149.04582	5.7
153.05563	1.4
153.09244	4.4
153.98396	1.1
154.99962	2.0
161.04572	10.3
175.02510	2.8
179.03580	1.3
187.11299	1.7
193.05095	1.5
198.94058	1.1
203.05771	1.7
205.12384	9.0
219.34290	1.2
221.06683	2.7
223.13463	1.7
225.05550	2.1
225.14906	1.3
237.05392	1.1
269.04797	1.4
297.04095	3.2
312.06177	1.8
314.46875	1.4
327.08817	6.9
347.11301	1.6
359.20853	1.4
367.17636	9.5
385.18665	5.5
389.25473	2.2
391.10391	3.8
427.19733	30.2
428.20001	5.4
447.25815	5.2
463.21381	2.1
465.26859	2.1
477.19501	1.6
506.26959	2.6
507.20932	5.3
507.28281	11.8
508.27768	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	507.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.5
60.01704	0.4
61.98837	1.8
64.69409	0.3
71.01385	5.0
71.71273	0.6
72.99315	0.7
73.02961	1.9
73.04095	0.9
74.02499	1.0
81.03453	0.3
82.69555	0.3
83.01394	0.7
85.02979	1.0
87.00912	0.3
88.04072	0.4
88.98827	0.5
89.02451	1.6
89.40028	0.3
91.07624	0.3
95.01386	0.3
96.04605	0.3
96.96030	1.7
97.02935	0.3
99.92583	0.6
101.02466	2.8
104.97546	0.3
105.01926	0.5
109.02964	1.5
113.02453	1.1
115.00384	4.5
116.92886	1.4
119.03535	0.8
119.05046	0.5
121.02963	0.4
121.23596	0.4
123.00896	1.5
123.04540	0.7
125.02486	0.9
127.05148	0.8
128.03555	0.8
133.01456	4.6
134.03813	1.6
135.00946	0.4
135.04543	12.0
136.04919	0.6
137.02470	1.0
137.61375	0.3
139.00336	0.4
139.05087	0.5
143.04657	0.8
149.04701	0.3
149.06084	1.2
151.00420	0.9
151.03935	0.5
152.04782	1.6
153.01959	1.7
153.05571	0.5
161.04556	0.9
170.09361	0.5
178.02750	0.7
179.03520	3.5
179.88264	0.5
181.01440	24.9
182.01784	1.2
193.05113	1.6
195.03001	0.9
196.03781	47.6
197.04129	2.8
204.08054	0.3
211.06125	100.0
212.06473	6.2
261.10260	0.7
285.07727	0.5
306.07639	0.9
329.10367	4.3
330.10474	0.6
345.13791	0.4
347.11279	1.2
353.57050	0.4
370.66873	0.3
387.20331	0.7
391.10309	6.5
392.10818	0.7
403.19989	0.5
447.22327	1.1
507.16452	4.5
508.17145	0.6
508.24033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03444	2.3
59.01382	65.2
60.01725	0.6
61.98832	40.6
69.03436	0.8
71.01389	32.9
71.02509	1.0
71.05006	0.7
71.71867	1.1
72.99309	4.3
73.02953	12.1
74.02483	2.1
75.00871	2.3
75.42174	0.7
78.95915	0.8
83.01398	4.3
85.02969	4.1
87.00906	2.5
87.04511	0.8
88.04015	0.8
88.98808	1.8
89.02453	7.0
93.03487	1.2
95.01395	1.5
96.00924	1.2
97.02987	0.9
97.06575	1.2
99.00897	2.2
99.04529	1.2
101.02464	14.6
105.07089	0.9
107.05083	1.8
107.34660	0.7
108.02248	0.7
109.02968	11.2
110.03300	0.8
111.00855	1.3
113.02466	6.0
115.00391	28.8
116.00724	0.8
116.92863	1.1
119.03537	2.1
119.05064	1.1
120.01270	4.6
121.02971	2.3
122.03739	1.1
122.06099	1.2
123.04540	1.5
124.07651	0.9
125.02477	1.9
127.05269	0.6
128.03574	2.2
130.08745	1.0
131.03528	1.8
132.04549	5.9
133.01451	29.9
133.03032	1.6
133.05328	2.7
134.03763	6.8
134.06136	1.0
134.07423	1.0
135.04544	100.0
136.04840	6.4
136.98845	0.8
137.02493	3.2
137.05998	0.8
139.00429	2.0
140.01195	0.9
141.05643	1.2
143.03516	1.7
143.07217	1.3
145.03009	2.1
147.04597	1.2
148.05319	1.3
149.02490	1.2
149.04602	1.7
149.06096	2.9
149.09708	7.5
150.03241	1.9
151.04066	1.2
152.03528	1.0
153.05617	1.0
154.99944	0.9
160.05283	1.0
161.02461	1.8
161.04622	3.6
163.04083	1.6
165.04301	2.2
165.05580	1.3
167.10789	14.0
168.11137	0.9
175.02586	1.0
175.04057	2.0
175.07576	1.2
177.01874	1.0
179.03519	57.3
180.03844	3.4
181.01434	5.1
193.05084	17.2
193.06775	1.4
194.05551	1.0
194.21748	0.8
195.06578	0.9
196.03764	8.5
197.04181	0.8
207.06703	1.3
211.06108	13.2
215.12781	2.2
219.06636	2.4
221.06668	1.2
223.13533	1.1
225.15056	2.3
227.10646	1.7
229.09645	1.0
234.14980	0.9
238.94501	0.8
239.11819	0.8
241.05070	1.6
241.14522	1.6
243.16016	2.9
253.04840	1.4
257.13052	3.7
259.13303	1.1
260.10361	0.7
269.04559	3.8
270.05365	3.1
271.06241	3.4
283.10977	1.6
284.06738	1.3
285.07742	8.3
285.11017	1.2
286.08463	4.8
287.09164	1.6
299.05829	0.8
300.09912	5.5
301.10699	5.9
313.07178	1.1
314.07800	4.6
315.08737	2.0
315.12476	2.4
327.09012	2.2
329.10312	80.5
330.10593	10.9
331.08319	0.9
345.10620	16.5
346.11270	1.5
347.11371	16.7
348.11649	1.6
365.53491	0.9
373.09506	1.0
373.13922	1.0
377.18335	1.0
387.20413	3.1
389.18161	1.3
391.10352	37.4
392.10892	4.6
403.20016	0.9
405.21344	1.0
419.19284	3.1
421.20480	2.1
447.22119	6.6
463.21814	19.8
464.22134	2.0
489.19901	1.4
506.26300	2.1
507.21054	2.3
507.27368	2.1
507.34708	1.9
508.15524	1.5
508.22324	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	505.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.63499	0.1
57.03447	1.6
58.00584	0.3
59.01381	10.6
60.01691	0.2
61.98835	0.9
67.01870	0.1
68.99804	0.2
69.03462	0.9
69.39243	0.4
69.39671	0.8
71.01386	11.8
71.05016	0.3
72.01713	0.3
72.99309	0.8
73.02589	0.2
73.02958	1.9
75.00880	0.2
78.95901	0.2
81.03457	0.4
83.01035	0.1
83.01402	1.2
83.05033	0.3
85.02958	3.1
86.00108	0.8
87.00883	5.1
87.04529	0.1
89.02466	0.9
95.01398	0.8
96.96996	0.1
97.02957	1.0
97.06599	0.2
98.19854	0.3
99.00882	1.2
101.02457	3.5
111.00880	0.5
111.08167	0.2
112.01704	0.6
113.02473	3.0
113.03581	0.4
113.09724	0.5
115.00394	0.2
115.04037	0.1
119.03487	0.3
123.08128	0.2
124.01686	1.8
125.01620	0.2
125.02472	2.8
125.09789	0.2
126.02769	0.1
127.11309	0.7
137.09731	0.1
141.12885	0.2
142.02750	0.2
143.03529	0.7
145.46312	0.1
155.10779	0.1
158.73596	0.1
159.03108	0.1
161.04572	0.3
175.02504	0.2
193.09633	0.1
211.20639	0.3
212.37271	0.1
219.17609	0.1
221.19110	14.4
222.19440	1.2
223.20799	0.1
225.18404	0.1
237.18594	0.4
239.20149	2.2
240.20465	0.2
251.20160	0.5
257.21194	1.2
263.20001	0.3
265.18076	9.2
266.18430	1.0
267.19693	0.1
279.19720	0.1
281.21268	0.5
283.19156	14.0
284.19467	1.2
289.73849	0.1
295.19022	0.4
297.20709	0.6
301.20203	17.4
302.20520	1.6
305.21185	0.1
307.19226	0.3
313.20209	0.4
315.21872	0.8
325.20227	1.1
343.21317	1.1
355.21426	0.2
361.29453	0.3
367.21060	0.2
371.20804	0.3
385.22394	0.2
409.22379	0.3
419.22635	0.2
427.23386	2.4
428.23834	0.3
445.24414	13.4
446.24725	2.1
461.23761	0.7
463.25476	22.9
464.25830	3.3
487.25415	0.5
505.26514	100.0
506.26855	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	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
59.83217	0.2
65.28945	0.2
70.50274	0.9
71.01364	0.3
78.95908	10.8
81.43603	0.3
83.05016	0.3
96.96979	0.7
118.61723	0.2
127.07668	0.4
135.38228	0.3
152.99603	20.2
153.99898	0.4
171.00633	2.0
178.65109	0.2
203.77470	0.3
227.03220	2.9
233.22675	0.4
245.04277	2.3
259.20532	0.6
275.20251	0.4
277.21710	100.0
278.22052	11.3
279.23132	0.3
280.23349	0.3
357.03247	0.2
460.19214	0.3
505.25677	43.7
506.26059	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	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.24124	0.4
62.94334	0.4
71.50800	0.7
73.24709	0.3
78.95907	28.2
82.97649	0.3
90.30545	0.3
96.96989	2.4
120.84609	0.4
134.98634	0.4
150.98085	0.7
152.99603	45.5
153.99910	1.1
171.00650	2.0
227.03246	6.6
228.03708	0.4
233.22800	0.6
245.04291	2.8
259.20602	0.8
275.20245	0.9
277.21713	100.0
278.22052	11.5
413.21130	0.8
468.06506	0.5
505.25671	83.7
506.26031	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	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01382	100.0
60.01717	1.1
61.98834	34.5
66.82972	0.8
69.03449	1.1
69.30686	0.7
70.86185	1.9
71.01391	27.3
71.05026	0.9
71.60005	0.7
72.99320	2.0
73.01808	0.7
73.02957	31.5
74.02470	1.3
75.00882	1.8
79.09637	0.7
83.01395	10.4
83.01862	0.7
85.02959	4.7
87.00904	2.2
88.98824	2.5
89.02456	8.9
95.01440	1.3
95.05094	0.8
96.00940	0.9
97.02956	1.5
98.03769	0.8
99.00880	1.5
99.04531	1.4
101.02461	34.6
101.06142	1.2
102.02789	0.8
109.02979	1.1
109.06614	2.7
110.72115	0.7
113.02462	12.5
113.06103	3.8
114.01981	1.1
114.91351	0.7
115.00377	3.8
115.04040	1.8
119.03545	3.7
119.05039	1.2
120.01319	1.0
120.67497	0.8
123.04534	1.4
125.02483	1.3
126.06764	0.8
127.05164	2.9
127.07691	2.2
128.03587	1.9
131.03534	2.8
133.01456	4.4
134.03777	1.4
135.02979	1.1
135.04532	2.0
139.07719	1.1
143.03526	4.3
144.07867	1.2
149.04579	5.1
153.09279	2.2
155.03499	0.9
161.04578	10.9
161.05850	1.0
165.04169	0.8
165.09203	4.2
175.02589	1.0
181.86363	0.7
186.08858	0.8
192.06807	0.9
203.05641	2.3
205.12379	6.6
206.12656	0.9
221.06734	2.5
223.11127	1.4
223.13489	6.8
239.12886	1.5
241.14494	1.9
283.10135	0.7
345.09808	0.8
357.09854	3.4
385.18829	1.3
387.11099	0.9
442.26996	0.9
443.21356	2.2
445.21094	2.2
461.20309	4.5
462.19772	3.9
505.27344	6.0
506.22360	0.9
506.27060	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	503.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43028	0.5
60.24728	0.5
61.98832	0.5
71.14736	1.0
78.95910	42.5
96.96969	3.9
152.85927	0.4
152.99609	56.2
153.99962	1.0
171.00658	15.7
172.00894	0.6
227.03317	2.6
230.38962	0.5
231.21182	28.6
232.21532	3.4
245.04308	100.0
246.04630	4.1
275.20151	45.3
276.20465	5.0
425.94208	0.5
503.24136	35.2
504.24487	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03452	3.0
58.00577	1.2
59.01380	100.0
60.01723	1.4
61.98829	9.9
62.31357	0.6
66.83882	0.5
67.64405	0.6
67.80613	0.6
69.03489	0.9
69.24066	0.6
71.01389	28.0
71.05036	2.0
71.27637	1.4
71.27978	1.0
71.78508	0.6
72.01737	1.2
72.99316	2.2
73.02946	11.5
75.00894	0.8
77.52405	0.6
78.95904	5.1
79.95776	0.6
83.01398	4.5
83.05028	1.0
85.02955	12.3
87.00889	8.4
88.98843	0.7
89.02457	8.2
95.01401	4.4
95.05072	0.9
96.96983	1.6
97.03013	0.9
99.00904	2.3
99.04533	1.0
101.02454	13.6
108.04633	0.7
108.08234	0.8
111.00940	1.2
113.02463	19.6
115.00375	5.0
116.00771	0.7
119.03512	2.1
121.37127	0.7
125.02470	1.6
125.09761	1.0
130.08774	1.3
131.03526	1.2
133.01468	2.7
135.04567	1.3
139.00375	1.1
139.04045	0.8
143.03535	2.7
153.09270	0.7
153.42230	0.7
154.99921	2.1
157.01437	0.8
161.04582	5.3
164.07210	1.5
166.05174	1.7
167.05495	0.8
169.12447	1.3
171.10262	0.8
171.64212	0.6
175.02539	2.4
179.05609	1.9
185.07213	0.9
193.01886	0.9
193.05070	1.0
197.15422	0.8
237.14996	1.0
238.17972	0.6
255.16090	2.1
264.16196	2.7
271.10745	0.8
281.17606	1.0
282.49954	0.7
283.22885	0.8
299.18607	1.3
308.74194	0.6
332.42804	0.6
341.26953	1.5
342.14685	1.2
345.22772	9.9
346.23441	1.0
359.27951	3.7
387.10715	1.0
387.33563	0.8
399.24210	9.3
400.24329	1.2
417.21320	5.1
417.26270	3.8
441.21713	0.8
443.22659	1.5
459.22220	33.4
460.22418	5.8
461.23987	1.8
503.25281	18.4
503.32645	17.7
504.25381	3.0
504.32791	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	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03438	0.9
59.01381	100.0
60.01707	1.2
61.98837	3.2
69.60822	0.4
69.67384	0.9
69.67793	2.4
71.01386	12.6
72.01725	0.4
72.99316	1.0
73.02948	3.9
75.00884	1.3
78.95903	1.3
83.01409	2.1
83.05025	0.5
85.02962	4.0
87.00885	1.6
89.02452	6.7
95.01411	1.1
96.97002	0.6
99.00922	0.8
101.02454	8.7
109.02972	1.4
113.02464	4.9
115.00393	6.2
119.03544	2.3
119.05046	1.1
125.02468	0.4
128.03513	0.4
131.03526	0.7
133.01456	12.2
133.02985	0.5
134.01743	0.4
134.03754	1.0
135.03035	3.6
135.04591	0.7
137.02307	0.4
142.23129	0.5
143.03482	0.6
161.04576	1.0
163.04066	1.1
174.03229	1.9
175.02492	0.4
178.02679	0.4
189.05586	1.7
189.77319	0.4
193.05054	1.8
214.57623	0.4
218.02310	0.5
218.05815	0.5
221.08241	2.9
222.08478	0.5
223.13391	0.9
233.04588	1.8
255.02977	5.0
267.12387	0.6
277.07101	1.7
281.17487	0.6
283.02499	3.5
284.03174	1.7
297.03732	0.6
298.04764	1.0
299.05600	1.6
343.11798	0.6
357.19266	2.0
375.27466	0.6
385.15207	0.6
387.10696	3.0
399.20169	2.3
417.21204	3.8
418.21619	0.6
441.21429	3.2
459.22348	82.7
460.22668	13.7
461.24149	0.4
488.09940	0.7
503.11786	5.1
503.17911	1.6
503.24466	7.8
503.31418	0.7
504.11905	1.1
504.24677	0.7
504.31784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03445	3.1
59.01382	80.4
60.01712	1.0
61.01798	0.8
61.98836	8.5
69.43892	3.9
69.44328	3.4
71.01387	24.9
71.05019	1.9
72.99311	1.1
73.02950	17.4
73.68001	0.7
78.95914	6.9
83.01403	5.8
85.02966	9.0
86.03255	0.7
87.00886	3.1
89.02452	8.1
90.40962	0.7
95.01402	2.0
96.96976	4.3
97.02934	0.8
99.00889	2.3
99.04499	0.8
101.02458	18.2
103.66800	0.7
110.64931	0.7
113.02467	8.9
115.00395	2.6
119.03513	2.5
119.05035	0.8
125.02476	1.3
128.98820	0.6
133.01453	4.6
134.55768	0.6
147.04597	0.8
154.99934	0.9
161.04576	2.4
175.02507	1.6
179.05659	0.8
211.34930	0.7
223.13423	0.7
237.14944	4.0
246.15143	0.7
253.83470	0.7
255.16081	1.7
264.16101	1.7
281.17352	1.2
343.48083	0.7
359.28006	0.9
389.68219	0.7
399.20026	4.3
417.21246	10.1
418.21768	1.6
441.21243	1.4
459.22360	100.0
460.22705	15.3
461.24161	0.8
503.25345	7.7
503.32806	2.7
504.27121	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	503.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.8
59.01379	69.4
61.98827	8.2
69.54051	1.2
69.99275	7.7
70.76361	1.2
71.01380	17.5
73.02952	19.1
83.01378	4.4
83.05054	1.7
85.02953	5.8
87.00895	2.2
89.02464	4.9
92.19919	1.2
95.05016	2.5
98.20542	1.4
101.02448	17.6
103.00420	1.4
109.02963	2.2
113.02448	4.9
115.00407	4.3
115.03713	1.3
116.92892	3.8
119.03519	1.9
121.06634	1.8
123.04552	3.4
123.08176	7.5
133.01439	6.3
133.48526	1.3
134.03767	6.4
135.04539	8.2
135.08151	1.5
147.04654	2.1
149.06097	2.2
151.07674	22.4
151.11217	1.6
159.04550	2.6
161.04553	4.7
161.09734	5.7
163.07686	15.9
165.09236	5.4
173.09752	1.8
175.11363	1.8
177.01939	3.0
177.09219	4.7
179.05600	1.4
179.10780	15.0
187.07628	2.5
188.08423	9.3
191.10823	1.9
193.05081	2.7
193.12352	6.0
203.05574	1.9
203.10789	66.5
204.11049	5.7
219.10339	1.7
221.11830	100.0
222.12161	8.2
237.11400	3.8
249.26738	1.2
279.68451	1.3
281.08096	2.4
284.10654	1.5
339.06909	1.7
343.11591	1.7
387.10803	24.6
387.15399	2.0
388.11154	3.7
425.18326	3.7
443.18912	2.0
459.18738	11.8
460.18787	1.9
503.25040	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	503.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03453	3.9
58.00602	1.9
59.01380	100.0
60.01735	1.0
61.42246	0.5
61.98833	8.9
69.03475	1.2
69.97170	3.6
70.02989	5.1
71.01387	38.9
72.01719	0.9
72.99314	2.4
73.02952	29.7
75.00880	1.0
82.42229	0.7
83.01398	8.3
83.05054	1.0
84.82382	0.6
85.02950	6.8
87.00904	2.6
87.04515	1.5
87.73125	0.7
88.98844	1.3
89.02454	23.6
93.07085	1.4
94.86636	0.6
95.01391	1.0
96.00925	30.2
96.96034	1.8
96.99328	0.8
97.02936	0.9
97.06606	0.8
98.20590	1.1
99.00920	1.2
99.04503	0.7
101.02460	28.9
101.06113	1.0
102.02795	1.2
107.05041	0.7
109.02987	1.0
109.06635	0.6
113.02460	9.3
113.03592	0.9
114.01989	11.4
115.00391	7.6
115.04138	0.7
115.90130	0.7
116.07233	0.6
116.92863	1.2
119.03497	3.1
122.64448	0.6
123.04536	1.4
123.08208	1.6
125.02505	1.5
128.03574	1.0
131.03539	6.3
131.04649	2.6
133.01445	10.6
134.03755	6.1
134.04587	0.7
135.04553	2.0
137.09729	1.0
142.12404	0.6
143.03535	1.7
146.03819	1.0
147.04561	0.8
148.05350	1.4
149.04575	11.7
149.05919	1.1
149.09792	0.8
151.11320	0.8
152.10844	2.0
153.09276	1.6
158.03735	0.7
159.04587	1.4
160.05066	0.7
161.04567	4.9
162.02339	1.3
163.11267	0.9
165.09209	1.1
167.10803	0.7
170.11885	3.8
175.02524	1.8
175.11267	4.0
177.09241	1.1
179.05719	0.8
179.10614	0.7
182.11906	0.8
187.13460	1.8
189.09369	0.6
191.05681	1.9
191.10939	1.2
193.05112	2.0
193.12343	43.0
194.12679	3.5
199.12135	0.6
203.10774	4.6
211.13361	0.8
220.11069	1.3
221.11855	3.1
237.11328	40.5
238.11745	3.0
249.11320	1.1
267.06619	0.9
269.05209	0.6
269.08090	0.6
275.13092	2.2
276.20081	0.6
280.19293	0.9
281.08444	1.4
281.66711	0.7
283.09799	1.0
293.14072	1.7
295.06284	1.0
299.13040	1.7
306.20926	1.3
310.08630	1.5
325.10745	0.7
340.25223	0.7
343.11987	2.5
355.17938	1.8
358.26047	1.9
369.10028	1.1
370.25879	0.9
373.18637	3.2
387.10870	23.1
388.11111	2.9
388.27167	3.5
415.19730	6.6
416.19940	0.8
417.17593	4.8
441.31244	1.3
459.18707	66.3
460.19046	9.7
485.28934	3.6
486.28671	0.8
503.17868	1.9
503.29971	51.2
504.30164	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	503.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86860	0.6
57.03437	1.3
58.00592	0.9
59.01381	51.3
60.01736	0.6
61.98830	9.4
71.01390	39.6
72.01762	0.8
72.99313	4.5
73.02952	6.3
74.02477	1.0
75.00869	4.5
83.01401	2.3
85.02967	7.3
86.39733	0.6
87.00894	2.0
88.98840	1.0
89.02454	18.1
95.01418	1.0
96.00918	4.1
99.00896	1.4
101.02462	12.1
107.05016	0.8
108.02182	2.6
109.02941	3.7
109.04107	1.1
113.02462	7.3
114.02016	1.1
115.00391	51.6
115.04018	0.8
116.00764	1.7
119.03539	2.3
119.05037	2.3
123.04523	2.3
125.06082	0.8
127.05154	1.8
128.03577	1.4
129.01927	1.1
130.08769	2.4
131.03552	5.3
131.04527	0.9
132.03075	1.1
133.01454	100.0
134.01791	2.6
134.02904	0.9
134.03751	5.7
135.01982	1.3
135.03020	20.2
135.04588	1.8
135.11800	2.4
137.02458	0.6
139.18393	0.6
143.03545	0.8
145.02995	0.7
147.04570	1.3
148.05333	1.2
149.04576	7.7
149.06081	2.5
151.07759	0.7
159.04559	1.6
159.08130	0.9
160.05322	8.0
161.04602	1.6
161.06088	3.3
161.09712	1.7
163.04028	1.5
164.04791	0.9
165.09280	3.6
174.03241	0.8
175.02570	0.9
175.07651	1.1
178.02794	0.8
179.03516	1.3
179.05623	0.7
179.10791	10.1
182.78969	0.6
184.13432	0.9
186.12491	1.7
187.04047	0.9
191.05580	1.7
193.05070	7.0
203.10825	1.8
204.04274	1.7
205.12538	0.7
219.06604	5.7
221.11841	1.7
223.09744	4.6
223.13338	1.2
224.09828	0.6
225.13460	0.8
237.11244	0.8
237.81073	0.7
239.20444	0.6
242.05852	1.4
254.05818	1.8
257.08139	1.9
263.12134	0.6
267.06686	1.0
267.12363	1.4
268.07391	2.2
269.08218	4.4
277.09409	1.1
283.09863	1.4
283.22311	0.7
284.10541	5.0
295.06232	1.3
296.06857	1.1
299.12820	3.6
310.15298	0.6
311.09525	3.4
313.07156	1.1
325.10751	0.9
326.23215	0.6
327.08868	1.0
328.09525	5.6
329.09979	0.9
329.13934	0.8
341.12573	11.0
342.12598	1.0
343.11887	13.9
344.12250	2.2
369.09772	2.7
369.22552	0.8
385.14929	3.4
387.10843	55.2
388.11215	7.6
388.18808	1.0
443.23117	1.7
447.09573	0.9
459.18579	2.1
485.23923	0.7
503.17795	7.8
503.24942	18.4
504.17773	0.9
504.29510	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	502.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98831	0.1
63.13227	0.0
70.00196	0.0
71.01382	0.2
71.42415	0.1
78.95911	6.8
83.05026	0.3
96.96969	0.0
97.06575	0.1
99.04549	0.1
113.06123	0.1
127.07658	0.2
141.09120	0.1
152.99593	0.6
168.04338	1.9
171.00716	0.1
182.13121	0.1
205.19640	0.2
224.06937	1.3
225.07303	0.1
233.22752	0.4
242.07983	3.3
243.08426	0.2
259.20526	0.4
260.20917	0.1
275.20123	0.4
277.21716	100.0
278.22049	12.2
307.08383	0.1
326.13324	0.1
502.29364	11.0
503.29626	2.2
515.08185	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	501.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05763	1.0
55.01888	1.3
56.29749	1.0
57.03433	1.4
59.01382	100.0
60.59959	0.8
61.98826	2.0
71.01388	34.6
71.43455	1.4
72.99314	1.6
73.02952	51.0
78.95904	1.8
81.03459	1.2
83.01397	14.8
85.02966	3.7
87.00889	12.5
89.02457	9.0
96.96036	0.9
99.00888	1.2
100.37090	1.0
101.02457	39.2
109.21189	0.9
113.02461	9.6
119.03513	2.5
125.02439	2.2
131.03526	3.6
137.99991	1.0
141.05475	1.1
143.03539	3.0
147.11830	8.0
149.04593	3.4
155.03561	2.2
161.04584	6.5
173.13383	55.7
174.13686	3.9
191.14444	3.8
235.13405	47.2
235.15791	2.2
236.13770	3.5
335.59283	1.0
350.01190	1.0
368.21860	1.9
403.19754	1.2
415.19882	1.3
457.20709	23.9
458.21213	4.0
501.22946	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	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13101	0.5
55.01872	0.7
57.03458	1.4
58.00602	0.8
59.01381	100.0
60.01717	1.8
61.98832	32.3
64.01284	0.6
68.07930	0.6
69.03453	1.1
71.00985	1.4
71.01385	29.2
71.05057	0.6
72.01738	0.6
72.99312	1.7
73.02953	33.4
75.00909	0.8
78.95918	2.4
82.66585	0.6
83.01400	9.5
83.05063	1.2
85.02964	3.9
87.00887	3.8
89.02459	6.3
95.01423	1.0
95.05077	0.8
96.97005	1.7
99.00867	0.6
99.04538	1.0
101.02455	19.6
113.02473	8.1
119.03543	2.2
124.39120	0.6
125.02459	0.8
128.03575	1.5
131.03537	1.4
133.01421	0.7
134.06157	0.7
135.04570	0.7
135.08122	0.7
136.05374	0.7
137.06087	0.9
143.03535	1.1
147.11833	1.9
149.04547	0.9
149.09689	0.6
151.07677	2.6
155.03523	0.6
161.04625	3.5
171.00688	1.7
171.10342	0.7
173.13379	12.2
174.13670	1.0
175.11324	0.7
179.05792	0.8
191.03551	1.7
191.14398	0.9
203.05673	1.2
235.13382	6.2
236.16585	2.7
246.15005	1.4
264.16034	6.6
297.07916	0.8
323.18707	1.0
365.19827	2.1
406.34320	0.7
415.19824	2.3
439.19791	2.0
457.20773	66.4
458.21146	10.3
467.24615	0.7
501.23227	11.9
501.33572	4.7
502.24033	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	501.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22255	0.5
57.10679	0.5
59.01379	15.6
61.98834	1.6
69.26604	0.7
71.01386	8.6
71.72517	0.9
72.99334	0.9
73.02954	5.3
73.04071	1.8
74.02488	2.1
80.05070	0.5
82.02984	2.9
82.06643	1.8
83.01402	2.0
84.04562	3.7
85.02966	1.5
87.00877	0.7
87.05665	0.7
88.04053	0.8
89.02467	2.1
96.96030	1.2
97.04128	0.5
98.02477	0.8
100.04054	1.6
101.02452	4.6
101.07213	8.6
102.05621	21.4
103.05972	1.2
107.02522	0.5
109.04091	3.8
110.02491	0.8
112.04082	0.6
112.07712	0.6
112.90787	0.5
113.02473	2.1
114.93425	4.4
115.00391	2.5
116.07162	0.7
125.03622	1.0
126.09164	0.7
127.05157	15.8
128.03557	75.5
129.03915	2.5
129.10367	4.0
130.08757	18.7
131.09114	0.6
133.01445	1.7
134.03712	0.8
135.04523	0.8
136.11346	1.4
138.06889	1.1
139.07652	2.8
139.08775	1.5
140.07181	4.6
141.10327	0.5
143.11923	0.8
144.07719	0.5
145.06212	16.7
146.04623	21.7
151.07669	1.4
152.10744	0.5
154.12399	1.5
155.08318	1.5
155.11885	0.8
161.09720	0.9
164.04773	1.1
169.09807	1.2
169.13475	1.3
171.15024	4.2
175.11491	0.6
179.07109	2.8
179.11938	1.8
180.10309	10.6
180.11740	0.9
181.10663	0.6
182.05792	0.6
186.12497	2.0
191.10800	5.8
193.05162	1.3
195.11443	1.4
197.13020	4.2
197.16660	0.8
197.94604	0.6
199.18213	0.9
207.11418	0.9
207.14961	1.3
208.10985	0.6
208.13448	0.7
215.14061	3.4
219.10359	0.6
222.12483	1.5
223.10907	5.9
224.09348	0.8
225.16129	2.0
235.09779	1.1
238.08569	0.5
241.11920	3.9
243.17210	1.2
259.13013	2.2
267.09863	0.8
284.23425	1.9
292.20346	1.5
299.21008	0.5
310.21359	2.2
328.22525	1.6
354.20367	12.8
355.20636	1.5
372.21381	22.3
373.21634	3.1
414.23593	1.0
415.16251	3.6
416.16055	0.6
439.25504	0.9
457.17163	16.1
457.27060	0.9
458.17047	2.9
458.26450	1.4
483.24609	13.5
484.24976	2.2
501.25708	100.0
502.25946	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	501.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89483	0.5
53.74351	0.7
55.01885	1.1
57.03445	1.5
58.00594	1.2
59.01380	100.0
60.01715	1.4
61.98834	9.0
69.03465	2.0
70.02984	0.9
71.01389	25.2
71.72523	0.9
72.66329	0.6
72.99317	1.9
73.02537	1.1
73.02950	23.0
74.02518	0.6
74.03288	0.6
75.00877	1.8
78.95911	7.3
83.01392	6.2
83.05040	0.9
85.02973	5.8
85.70557	0.5
87.00897	2.3
89.02458	8.8
94.67780	0.6
95.01411	1.2
95.73892	0.6
96.00943	2.1
96.96035	0.8
96.96973	3.9
99.00900	0.8
101.02457	19.1
109.02943	0.6
111.04548	0.8
112.98840	0.8
113.02475	9.0
113.06172	0.7
114.02004	0.8
115.00400	2.6
118.42367	0.5
119.03515	2.8
123.08215	0.6
127.05170	2.0
128.03543	1.2
131.03558	1.9
133.01462	2.2
135.02977	0.7
135.04581	1.3
139.07703	0.7
143.03535	1.8
145.06216	0.8
147.11906	1.7
149.04543	2.9
154.99890	0.8
161.04555	4.0
167.07166	0.7
169.12341	0.7
170.11943	0.9
171.10292	0.7
173.13364	16.4
174.13751	1.2
175.02455	1.1
175.11348	1.2
176.97020	1.7
177.09334	1.1
179.05646	0.7
194.92119	0.7
235.13390	4.1
253.14496	0.8
339.18277	2.3
383.21091	0.6
397.18704	0.8
415.19235	1.1
415.24182	1.1
425.15350	0.6
457.20755	34.7
458.21072	5.2
491.73630	0.7
501.23578	4.0
501.27145	4.1
501.33020	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	501.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03449	1.5
58.00587	0.6
59.01382	41.0
61.98832	2.7
69.03469	0.5
70.02979	0.8
70.32147	1.5
71.01388	17.7
72.99310	0.7
73.02951	18.3
75.00881	0.6
81.03471	0.5
83.01392	5.0
83.05047	1.9
85.02952	4.2
87.00899	1.2
89.02456	4.3
94.04253	0.4
95.01378	0.7
95.05051	0.8
96.00916	4.1
97.02945	0.6
97.06590	0.6
99.00907	1.2
99.04556	0.6
101.02455	11.3
107.05038	1.3
108.02197	0.6
109.02950	0.5
109.06580	2.0
111.04564	0.9
113.02480	5.1
114.01965	1.8
115.00381	0.7
119.03529	1.4
122.03746	1.6
123.04565	0.4
124.05322	3.6
125.02432	0.5
125.06124	1.5
128.03539	1.3
131.03534	1.0
133.01436	0.4
133.06609	2.4
135.04559	0.6
136.05312	0.4
137.06071	1.5
138.03261	1.3
138.06888	9.9
139.07674	19.5
140.08003	1.2
143.03522	0.6
147.08203	0.7
149.09724	1.3
151.07677	7.7
153.05693	0.5
158.07367	1.2
161.04597	1.6
161.06090	0.4
162.83893	0.3
165.05528	0.4
165.09274	0.4
170.11909	1.2
173.09654	2.3
175.02492	0.5
175.07646	4.5
175.11322	0.6
176.08305	0.6
179.07353	0.4
182.05846	1.8
189.09256	0.4
191.10789	35.0
192.11111	2.2
205.12405	0.3
209.11821	2.1
219.10243	0.7
233.11790	0.7
235.09840	0.7
243.02834	0.3
255.02986	0.4
271.02365	1.1
300.02731	1.3
301.03601	0.7
303.48218	0.3
345.10901	1.4
353.15778	0.7
379.01761	0.4
386.25586	0.5
415.16083	22.8
416.16351	3.1
457.17133	100.0
458.17474	13.8
463.08795	1.3
483.26981	1.1
500.30804	0.4
501.16483	1.6
501.28354	7.2
502.28394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03439	1.8
59.01382	48.1
61.98820	2.1
69.03445	1.1
71.01386	24.5
72.99313	1.8
73.02953	21.2
74.02479	0.7
76.87097	0.5
81.03468	0.8
83.01394	7.0
83.05035	2.9
85.02953	4.5
87.00871	0.8
89.02460	5.9
94.04211	0.6
95.01402	1.1
95.05007	0.7
97.02967	1.0
98.19922	1.9
99.00864	0.6
99.04514	0.8
101.02461	12.7
107.05038	1.7
109.02988	0.8
109.04101	0.6
109.06585	1.7
111.00916	0.7
111.04549	0.9
113.02467	6.8
114.93443	3.7
115.00381	5.3
116.10192	0.6
119.03502	1.0
119.05067	0.8
121.06552	0.6
122.03776	1.4
123.08173	1.1
124.05308	4.4
125.02479	0.7
125.06117	2.0
127.05139	2.2
128.03545	2.9
129.01872	0.6
130.08734	2.5
131.03484	1.1
133.01494	1.6
133.06628	2.4
134.03764	1.1
134.06096	2.3
135.03009	1.0
135.04523	0.9
137.06081	2.5
137.53404	0.6
138.03232	1.2
138.06888	9.2
139.07674	21.2
140.08029	1.2
143.03482	1.2
145.06215	0.8
147.08131	1.0
149.09686	1.4
151.07669	6.4
154.99951	1.4
158.07419	1.7
161.04553	2.2
165.05527	0.9
165.09145	0.8
173.09749	2.8
175.02477	3.9
175.07660	5.0
175.11278	2.3
178.05051	1.5
182.05872	1.8
191.10791	35.9
192.11113	2.7
193.05063	1.8
203.28896	0.6
209.11819	2.2
219.10281	2.7
229.47351	0.6
235.09666	1.0
293.75778	0.7
354.20444	0.9
415.16083	25.4
416.16617	3.2
437.20517	0.8
441.17722	1.8
457.17136	100.0
458.17429	14.8
488.46576	0.8
501.16101	2.1
501.25650	1.8
502.15863	0.9
502.23965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.6
57.03456	3.7
59.01389	8.7
69.03461	1.4
69.84195	2.9
69.84608	3.9
71.01385	13.9
72.99323	2.4
73.02968	3.1
74.02486	1.3
75.00881	10.2
77.25346	1.1
83.01395	50.6
85.02949	4.1
85.03468	0.9
87.00882	19.2
87.04531	4.2
89.02444	1.1
93.03468	18.2
96.96023	7.7
98.20420	3.2
99.00909	5.3
108.02209	1.4
111.00906	3.6
113.02473	2.4
115.00394	54.0
117.03499	2.6
119.05030	12.0
121.06646	1.6
125.02413	2.0
127.00385	10.6
128.03537	1.4
129.01993	1.5
131.05096	1.3
132.05865	1.8
133.01459	8.9
133.06616	100.0
134.03770	2.9
134.06985	5.1
135.03030	3.7
135.04565	5.5
139.00421	2.4
141.21605	1.0
145.03000	3.5
145.06639	7.7
147.04578	7.1
148.05313	3.1
149.06108	12.1
157.01454	4.2
158.03798	1.1
159.03017	48.9
159.04288	1.6
160.03336	1.9
161.06136	1.9
165.01894	1.3
165.05698	1.5
172.05382	1.3
173.06111	10.9
174.01721	19.5
175.02498	75.0
176.02785	3.1
177.05583	33.4
178.06000	1.4
179.03549	1.5
185.06055	1.4
189.05565	1.4
190.02727	4.3
191.03490	3.6
191.07127	19.8
193.05125	1.7
205.05104	2.0
215.07198	3.3
219.02942	5.4
221.04579	42.2
222.04970	3.1
223.06210	1.7
232.25340	1.5
233.08202	13.0
234.08540	1.0
235.06038	1.6
249.07664	2.7
259.06036	3.7
259.27390	1.0
279.05133	3.8
304.87579	1.1
312.69040	1.1
353.08701	7.6
383.09848	63.0
384.10132	7.9
441.10428	16.6
442.10614	2.1
465.10211	5.6
501.12402	13.9
502.12601	1.9
502.24750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46729	0.4
63.39653	0.3
64.09021	0.4
69.06828	0.4
69.43359	1.0
69.43772	2.8
71.01389	8.8
72.99311	1.6
80.20670	0.4
89.02464	1.2
96.06784	0.3
96.96026	1.2
98.19895	0.5
98.20541	1.1
115.00390	24.7
116.00701	0.8
132.04564	1.2
133.01454	100.0
134.01831	2.5
134.03752	1.3
135.04550	17.7
136.04869	1.3
152.13109	0.4
159.03281	2.5
160.04074	17.0
161.04431	0.9
178.60321	0.3
179.03523	25.3
180.03859	1.5
204.03027	6.0
295.04587	2.9
359.06805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46888	1.0
53.15048	0.9
55.01868	4.0
57.03445	2.9
59.01379	36.8
61.98833	26.2
71.01388	50.0
71.73838	1.1
72.01693	1.1
72.99310	2.9
73.02953	17.8
73.04091	2.2
74.02480	4.6
78.95934	1.3
80.14053	1.0
81.03477	1.2
83.01395	10.7
83.05046	1.1
85.02963	22.8
86.00143	1.2
87.00890	3.5
88.04058	4.0
89.02460	10.0
95.01412	3.8
96.00922	1.2
96.96978	3.3
97.02936	1.9
99.00903	7.0
101.02458	43.1
102.02850	1.3
104.89294	1.0
111.00928	3.6
113.02464	19.0
113.03636	1.3
115.00390	5.2
116.92845	1.7
119.03532	2.0
119.05034	2.1
127.05156	2.4
128.03539	5.2
129.01924	1.9
129.10376	1.8
130.08766	2.3
131.03590	2.1
132.04587	1.5
133.01474	3.4
134.03761	1.3
135.04544	51.3
136.04907	2.6
138.05602	1.5
143.03540	2.3
154.99876	4.9
155.08228	1.3
159.03006	5.9
161.04587	14.4
175.02428	1.0
179.03479	3.5
203.08270	4.0
219.07761	3.9
223.10910	1.3
225.13658	1.9
241.07208	1.2
306.07571	1.4
307.17636	100.0
308.17871	8.5
309.69751	1.1
352.15280	1.5
401.14444	1.9
439.21854	86.1
440.22171	12.3
461.73911	1.9
499.22574	1.7
499.29059	10.2
500.27127	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	499.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46888	1.0
53.15048	0.9
55.01868	4.0
57.03445	2.9
59.01379	36.8
61.98833	26.2
71.01388	50.0
71.73838	1.1
72.01693	1.1
72.99310	2.9
73.02953	17.8
73.04091	2.2
74.02480	4.6
78.95934	1.3
80.14053	1.0
81.03477	1.2
83.01395	10.7
83.05046	1.1
85.02963	22.8
86.00143	1.2
87.00890	3.5
88.04058	4.0
89.02460	10.0
95.01412	3.8
96.00922	1.2
96.96978	3.3
97.02936	1.9
99.00903	7.0
101.02458	43.1
102.02850	1.3
104.89294	1.0
111.00928	3.6
113.02464	19.0
113.03636	1.3
115.00390	5.2
116.92845	1.7
119.03532	2.0
119.05034	2.1
127.05156	2.4
128.03539	5.2
129.01924	1.9
129.10376	1.8
130.08766	2.3
131.03590	2.1
132.04587	1.5
133.01474	3.4
134.03761	1.3
135.04544	51.3
136.04907	2.6
138.05602	1.5
143.03540	2.3
154.99876	4.9
155.08228	1.3
159.03006	5.9
161.04587	14.4
175.02428	1.0
179.03479	3.5
203.08270	4.0
219.07761	3.9
223.10910	1.3
225.13658	1.9
241.07208	1.2
306.07571	1.4
307.17636	100.0
308.17871	8.5
309.69751	1.1
352.15280	1.5
401.14444	1.9
439.21854	86.1
440.22171	12.3
461.73911	1.9
499.22574	1.7
499.29059	10.2
500.27127	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	499.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03579	0.3
53.15889	0.4
54.69174	0.4
59.01373	1.6
61.98837	0.8
64.52887	0.4
67.79461	0.3
71.01379	1.7
71.16243	0.5
71.16583	1.0
72.00922	2.0
73.04076	13.5
74.02485	4.2
74.18291	0.3
78.95887	0.6
83.02517	1.6
85.04109	0.4
85.05307	0.3
87.00854	0.4
87.05649	0.6
93.03468	4.2
95.02502	0.4
96.00943	0.7
96.96017	1.1
96.96979	1.0
99.01993	0.4
101.02451	0.4
106.04242	0.9
107.05003	0.5
108.41642	0.4
111.04412	0.6
112.05185	0.9
112.07718	0.9
113.03597	4.3
115.00368	0.4
115.08782	10.9
116.07188	0.4
119.05042	37.7
120.05381	1.7
127.05173	0.6
127.08800	0.9
128.03569	0.6
129.10385	1.7
130.06242	4.1
131.05049	0.4
133.01483	0.8
135.04549	2.3
136.07695	1.2
137.07240	2.1
138.05592	0.5
139.08733	0.4
141.06720	12.1
144.07845	0.5
145.02969	0.4
145.06195	1.0
154.09869	8.2
155.08308	2.1
157.05357	1.6
160.71190	0.4
162.05647	2.8
163.04025	8.5
168.06526	1.2
168.11435	2.5
172.10924	7.7
173.09317	0.6
173.11206	0.4
179.03400	0.5
180.06673	40.7
181.07030	2.0
186.12418	2.1
187.08449	0.5
193.09804	1.0
196.14650	0.5
200.10828	2.3
205.82133	0.4
211.09978	0.8
211.12013	15.9
212.10361	0.4
212.12227	0.7
215.85983	0.4
225.13321	0.5
229.13028	1.5
235.14517	8.9
236.10356	1.2
236.14777	0.7
243.14691	0.9
244.09763	8.7
245.10150	0.9
250.11925	0.7
261.12381	1.2
268.95950	0.4
274.15836	0.5
279.13464	2.8
292.16678	10.1
293.16861	0.6
317.28210	0.4
318.14676	1.2
349.18829	5.6
350.19333	0.4
393.18060	1.1
429.68863	0.4
454.26624	0.5
455.22797	1.2
499.21973	100.0
500.22067	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	499.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98841	0.3
71.01387	2.0
71.72104	0.5
71.85587	0.3
72.99322	1.0
73.02952	0.3
74.02491	0.4
75.00883	0.5
78.95889	0.4
83.01395	4.1
85.02950	0.4
87.00879	0.7
88.98800	0.3
89.02515	0.7
90.78996	0.3
93.03452	0.7
95.05023	0.4
96.96017	1.3
96.96973	0.5
99.00896	5.5
99.92614	0.4
101.02451	0.7
107.05042	0.7
108.02206	0.7
109.02970	9.7
109.04093	0.4
113.02433	0.3
115.00384	4.5
115.92084	0.6
116.92879	1.0
119.05055	0.9
121.03019	0.7
121.06626	3.2
123.04552	0.6
125.02486	0.6
127.00401	0.7
127.05111	0.4
128.03568	1.4
131.05019	0.9
133.01454	1.4
133.02937	2.2
133.06564	0.3
135.03505	0.4
135.04535	5.4
137.02586	0.3
137.06120	0.5
143.04962	0.3
145.02975	2.8
146.03761	0.4
147.04547	5.5
148.05360	3.6
149.06104	100.0
150.03210	1.2
150.06450	4.9
151.04027	0.7
159.04532	1.4
161.02470	7.1
161.04678	0.4
161.06073	2.3
163.04036	5.4
164.04366	0.4
165.01918	0.5
165.04294	0.6
165.05588	5.5
171.04512	0.3
173.02412	0.4
173.05998	0.4
174.03284	1.9
175.02576	1.0
175.04015	17.4
176.04387	1.1
177.01945	8.6
177.05588	1.2
178.02298	0.4
179.03496	0.6
185.05969	0.4
187.04015	2.2
187.07614	0.6
188.04800	0.9
189.05603	2.8
190.02641	0.5
191.03516	2.2
191.07184	0.7
192.04330	0.4
193.05083	15.3
194.05412	0.9
201.05688	0.6
203.03490	0.6
203.07178	0.9
205.00201	0.3
205.05069	1.2
206.02254	1.9
209.04575	1.2
213.05487	0.6
215.03468	1.0
219.02995	34.6
220.03339	2.8
221.04550	0.6
229.05080	0.9
231.03081	0.6
231.06689	2.4
232.03754	0.5
233.02274	0.7
233.04570	10.8
234.04871	0.6
237.04047	47.9
238.04362	3.4
247.06146	0.8
249.07744	0.6
255.05086	1.2
257.04614	0.6
259.02551	0.5
263.05539	0.4
275.05585	2.8
275.17944	0.4
276.05862	0.4
277.03552	8.6
278.03986	0.7
279.04990	0.6
291.04999	0.6
293.06665	5.4
306.07455	0.4
319.04620	11.4
320.04834	0.8
337.05655	53.5
338.06018	5.1
381.08316	8.5
382.08588	1.1
395.09970	0.7
399.09348	10.1
400.09641	1.4
437.10651	0.5
439.08856	5.0
439.18066	0.5
440.09003	0.5
455.11581	0.3
471.11743	0.5
481.09860	7.3
482.10184	1.0
499.10919	10.9
499.25589	0.7
500.11346	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	497.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76549	0.4
57.03442	1.1
59.01371	3.3
61.98835	1.5
70.20233	0.4
71.05019	8.4
71.42058	0.9
78.95906	7.9
83.05045	1.4
99.00916	0.7
101.85686	0.5
108.02197	0.5
128.40643	0.4
134.97958	0.5
152.99612	9.0
171.00642	1.2
171.98344	1.3
193.15927	0.5
195.17548	1.0
197.19110	15.7
198.19424	0.7
218.28134	0.4
223.20677	5.8
224.20906	0.8
225.22244	24.6
226.22585	2.4
227.03297	1.7
245.04353	1.6
251.20111	3.7
252.20561	0.7
269.21204	100.0
270.21548	11.7
277.49420	0.4
318.52325	0.4
423.27518	0.5
497.17715	1.6
497.25153	34.6
498.25439	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	495.2599
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
50.52156	0.2
55.01878	0.9
57.03454	1.6
58.00601	1.1
59.01381	100.0
60.01718	1.5
61.98837	2.5
69.03457	1.2
69.62984	0.5
69.63396	1.4
71.01387	28.1
72.01711	0.4
72.99316	2.0
73.02954	15.6
74.03348	0.3
74.27119	0.2
75.00887	0.3
76.66313	0.2
78.95913	0.3
79.81648	0.2
79.85614	0.2
81.03507	0.2
83.01395	6.5
83.14954	0.2
85.02959	7.8
86.00123	0.3
86.00663	0.2
87.00892	1.2
87.04552	0.3
89.02453	9.3
94.95402	0.2
95.01412	1.9
96.96048	0.2
97.02960	0.8
97.06621	0.2
99.00908	1.1
101.02457	19.1
102.02800	0.5
109.03013	0.2
111.00874	0.3
113.02464	11.3
114.02824	0.3
115.00368	0.3
119.03529	3.4
123.08160	0.3
125.02467	1.4
129.02016	0.4
131.03532	1.5
133.01376	0.2
135.04549	0.9
143.03543	2.1
144.04582	0.2
149.04588	1.3
151.07675	2.3
155.03568	0.3
161.04601	3.4
164.08447	2.8
165.09161	0.4
179.05559	1.3
203.05667	0.3
204.06772	0.3
204.11520	0.3
217.12148	0.3
221.06615	0.5
229.15813	0.2
253.06226	0.3
253.09633	0.3
255.17522	0.6
263.20129	0.2
267.07935	0.3
269.04559	0.4
270.04858	0.8
273.18521	1.2
275.16452	0.5
281.09390	0.3
291.19656	3.2
292.19946	0.4
295.10904	0.2
296.11758	0.4
309.20627	0.5
312.59030	0.2
313.11676	0.3
315.19980	0.2
363.21454	0.4
365.09100	0.3
387.21994	0.2
407.24469	0.2
417.22815	1.5
418.23071	0.2
419.18066	0.6
420.19223	0.5
425.25671	0.3
429.18472	0.3
432.10181	0.9
435.23889	16.4
436.24222	2.9
453.24915	27.0
454.25284	4.1
463.16913	0.5
464.18210	0.4
477.25174	0.6
495.25934	13.6
496.20474	2.5
496.27225	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03450	1.2
58.00605	1.1
58.33865	0.3
59.01382	100.0
60.01714	1.0
61.98836	3.7
66.34164	0.3
69.03471	0.6
71.01389	25.4
71.73026	0.4
72.01749	0.4
72.99302	1.5
73.02952	16.2
74.03291	0.5
75.00860	0.5
78.95940	0.6
79.98189	0.3
81.03479	0.4
83.01397	5.9
83.05059	0.4
85.02960	5.7
85.03439	0.4
87.00879	1.8
89.02457	9.6
89.02990	0.6
92.05087	0.4
95.01399	1.5
96.96026	0.3
97.02972	0.6
99.00903	1.0
99.04553	0.4
101.02461	16.8
113.02471	16.5
114.02802	0.8
115.00379	0.6
119.03533	2.8
125.02477	1.2
131.03537	1.4
136.05330	2.7
143.03514	1.9
149.04616	1.4
149.06079	0.6
151.06615	0.2
151.07678	10.9
152.08469	13.5
153.08739	0.7
154.99860	0.3
155.03568	0.7
161.04587	4.7
161.05859	0.4
165.09248	0.5
175.02559	0.8
179.05685	1.5
182.72859	0.3
195.56447	0.3
203.10872	1.2
215.10927	0.4
217.12433	1.2
218.13164	0.6
221.06793	0.3
254.05875	0.8
273.18448	1.4
281.09595	0.4
291.19724	1.4
296.11752	0.5
301.16608	0.5
318.77631	0.3
416.11371	0.4
417.22940	0.7
420.20258	0.4
435.23901	11.2
436.24307	1.8
453.24960	6.5
453.31165	0.3
454.25366	1.1
464.18646	0.4
495.25876	7.3
495.37482	0.6
496.20425	2.5
496.26877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.9
59.01379	100.0
60.01720	1.7
61.98834	7.3
62.88505	0.6
64.95862	0.5
66.36147	0.7
69.48911	4.6
69.49329	1.3
70.42286	0.5
71.01393	11.7
72.01736	0.5
72.99326	1.1
73.02958	5.9
78.95927	1.5
83.01397	2.3
83.05042	1.1
85.02948	4.1
87.00888	1.8
89.02460	3.8
89.02970	0.5
95.01386	1.1
96.96067	0.6
99.00871	1.0
99.04575	0.7
101.02453	7.7
101.14320	0.6
103.04024	98.5
104.04406	2.6
106.06645	1.2
112.98888	0.6
113.02456	6.1
115.00419	1.2
119.03515	1.4
125.02474	0.7
131.03542	0.9
135.04562	0.9
136.05344	1.0
137.09695	1.1
143.05090	0.5
144.04587	1.1
150.05629	0.7
151.07695	3.2
152.08435	2.8
153.09058	0.5
154.99913	1.0
161.04643	2.7
162.05605	0.7
172.03993	1.3
175.02455	1.7
179.05602	1.3
182.77168	0.5
188.03532	0.6
204.06604	0.7
212.05881	0.8
221.06619	1.0
225.06992	0.6
237.10231	2.0
239.08420	1.1
240.08974	0.7
251.11909	0.6
252.12541	1.0
253.06166	1.9
253.09743	1.8
254.05701	1.5
255.11345	0.6
263.08096	1.2
267.07706	2.7
267.11215	0.9
268.08420	1.1
268.12140	1.1
273.18137	0.7
279.10974	0.7
280.08578	0.6
281.09296	3.7
291.19431	0.7
295.10883	3.3
296.11636	7.0
300.11075	0.6
313.11874	2.9
328.10617	2.9
340.10480	0.6
416.10736	2.0
418.17606	0.6
420.19238	10.2
435.23715	4.0
436.24310	0.8
443.18442	0.9
453.24628	1.8
464.18265	18.6
494.36456	0.8
495.29279	1.7
495.37000	1.1
496.21027	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	495.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.9
59.01379	100.0
60.01720	1.7
61.98834	7.3
62.88505	0.6
64.95862	0.5
66.36147	0.7
69.48911	4.6
69.49329	1.3
70.42286	0.5
71.01393	11.7
72.01736	0.5
72.99326	1.1
73.02958	5.9
78.95927	1.5
83.01397	2.3
83.05042	1.1
85.02948	4.1
87.00888	1.8
89.02460	3.8
89.02970	0.5
95.01386	1.1
96.96067	0.6
99.00871	1.0
99.04575	0.7
101.02453	7.7
101.14320	0.6
103.04024	98.5
104.04406	2.6
106.06645	1.2
112.98888	0.6
113.02456	6.1
115.00419	1.2
119.03515	1.4
125.02474	0.7
131.03542	0.9
135.04562	0.9
136.05344	1.0
137.09695	1.1
143.05090	0.5
144.04587	1.1
150.05629	0.7
151.07695	3.2
152.08435	2.8
153.09058	0.5
154.99913	1.0
161.04643	2.7
162.05605	0.7
172.03993	1.3
175.02455	1.7
179.05602	1.3
182.77168	0.5
188.03532	0.6
204.06604	0.7
212.05881	0.8
221.06619	1.0
225.06992	0.6
237.10231	2.0
239.08420	1.1
240.08974	0.7
251.11909	0.6
252.12541	1.0
253.06166	1.9
253.09743	1.8
254.05701	1.5
255.11345	0.6
263.08096	1.2
267.07706	2.7
267.11215	0.9
268.08420	1.1
268.12140	1.1
273.18137	0.7
279.10974	0.7
280.08578	0.6
281.09296	3.7
291.19431	0.7
295.10883	3.3
296.11636	7.0
300.11075	0.6
313.11874	2.9
328.10617	2.9
340.10480	0.6
416.10736	2.0
418.17606	0.6
420.19238	10.2
435.23715	4.0
436.24310	0.8
443.18442	0.9
453.24628	1.8
464.18265	18.6
494.36456	0.8
495.29279	1.7
495.37000	1.1
496.21027	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	494.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	5.4
62.08376	0.3
62.94320	0.4
66.77467	0.3
67.29583	0.4
69.52988	1.6
69.53413	2.0
72.66437	0.3
78.95909	66.5
96.96968	4.9
110.70104	0.4
115.51015	0.4
150.98038	1.8
151.38280	0.3
152.99603	100.0
153.99966	1.6
171.00706	2.3
188.56551	0.4
277.21716	1.2
286.68057	0.4
397.79977	0.4
431.22021	42.2
432.22348	6.2
489.53510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13939	0.7
59.01383	19.6
60.97888	0.7
61.98833	37.0
64.10471	0.6
65.06380	0.6
66.03487	1.0
70.34085	0.7
71.01394	6.0
71.72847	0.7
71.73270	1.0
72.99316	0.8
73.02956	2.0
74.99092	1.3
75.42393	0.8
82.02981	3.3
83.01402	1.4
84.00902	0.8
84.04586	1.1
85.02961	0.8
88.45780	0.6
89.02473	1.2
98.02530	0.7
99.05643	3.7
100.04053	1.1
101.02445	3.2
102.11205	0.7
109.02966	0.8
110.02509	0.8
111.00847	0.7
112.04063	0.8
113.02447	1.4
115.00378	2.0
115.05158	1.4
127.05148	4.9
128.03558	91.6
129.03894	3.1
130.08746	3.8
133.01459	2.0
134.61246	0.7
135.04536	1.4
136.99146	0.9
139.08710	0.8
140.07210	1.6
142.05156	0.9
147.05969	1.2
154.99838	0.9
157.13487	0.9
157.83249	0.6
158.02792	0.8
169.09833	1.8
175.02499	1.5
175.05496	3.3
176.03918	2.7
178.08699	4.5
179.11963	1.7
180.10274	1.7
221.06892	0.7
226.09096	6.2
227.12256	2.5
239.11882	0.7
241.11952	1.3
243.11914	0.7
246.67639	0.7
254.05925	0.8
267.96741	0.7
269.78757	0.8
270.21997	0.8
271.11188	3.2
271.13791	0.9
313.03647	0.7
327.91229	0.7
356.04822	0.8
375.23816	1.0
413.24100	2.7
432.18106	100.0
433.18399	13.0
435.25858	0.8
457.26593	1.6
495.24289	1.1
495.31708	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	494.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84253	1.4
57.03445	1.7
57.13304	1.3
59.01382	19.4
61.98838	7.8
71.01375	5.2
71.72578	2.4
73.02944	2.4
85.02962	1.8
89.02496	1.5
96.96054	1.5
101.02465	2.1
104.70573	1.5
113.02427	1.5
122.06133	4.5
131.85358	1.3
133.01439	4.2
136.07719	1.5
178.78217	1.5
185.11899	3.5
197.11806	3.1
215.11929	2.2
217.09798	2.8
237.06418	1.4
238.18016	2.1
249.10355	1.3
251.08203	3.8
254.10548	4.6
254.17549	3.0
255.15848	3.0
256.19305	3.5
267.11368	13.0
268.11792	2.3
282.10104	6.1
295.10886	3.2
311.10269	4.7
312.11325	1.7
316.14792	1.8
329.11685	1.9
330.12576	2.7
332.10529	1.9
333.11328	1.5
344.14120	4.7
346.12085	1.8
358.15491	2.5
359.16080	1.7
360.13467	2.2
362.14978	2.9
374.18692	6.1
376.16663	3.4
388.12961	3.4
390.18213	5.1
400.16663	2.0
402.14755	2.7
403.15366	2.6
409.55173	1.4
416.16141	5.1
418.17731	92.2
419.17947	16.5
444.15610	4.7
445.16135	1.4
462.16711	100.0
463.16989	14.5
493.35382	3.2
494.19321	22.1
494.35007	6.4
495.19144	3.2
495.25513	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	494.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59706	0.3
59.01362	0.4
60.17281	0.2
61.32785	0.2
61.98826	4.5
65.01138	0.2
69.41327	1.9
69.41746	0.9
72.45677	0.2
77.70610	0.2
78.95907	49.1
96.96014	0.4
96.96966	5.8
97.82642	0.2
98.19898	0.5
111.51058	0.3
138.36409	0.2
148.68164	0.2
150.98035	2.1
152.99600	100.0
153.99915	2.1
171.00650	3.9
277.21613	1.2
333.24606	0.2
340.45584	0.3
408.16287	0.3
431.22028	32.7
432.22290	5.2
473.38718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10653	0.9
55.01868	2.4
56.87143	0.9
56.89104	0.8
57.03428	2.9
59.01381	100.0
60.01696	1.7
61.98830	6.8
62.42975	0.9
65.70019	1.2
69.03444	1.8
71.01387	37.0
71.72520	1.4
72.99316	2.9
73.02955	22.5
75.00881	1.8
78.95892	1.4
83.01387	6.9
85.02958	10.0
87.00890	1.7
89.02473	6.2
95.01411	2.1
97.02953	1.5
99.00868	3.5
101.02457	28.1
102.02790	1.1
113.02457	10.9
115.05154	1.9
119.03507	2.1
135.04483	1.0
143.03540	2.5
159.03003	1.9
161.04588	8.0
175.02426	1.1
183.13916	8.6
203.78751	0.9
220.90910	0.9
227.16435	3.0
245.17534	1.2
254.17596	3.0
371.20572	1.5
389.21771	16.3
390.21323	2.8
393.35468	0.9
407.22888	1.9
418.17896	1.2
431.22815	6.7
449.23929	73.4
450.24316	11.2
451.25406	3.3
462.16748	1.0
493.26617	11.0
493.36313	2.3
494.26773	1.5
494.36838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.8
63.38937	0.4
63.96227	0.6
64.97026	0.4
70.51330	0.8
70.51688	1.0
71.01387	1.5
73.02973	0.7
73.98329	0.7
74.99104	23.1
79.95741	9.0
79.96183	0.6
80.96528	3.5
81.15567	0.4
83.01382	0.4
85.02958	0.9
91.71593	0.3
94.66769	0.4
95.95245	43.0
96.96023	100.0
97.95949	0.4
98.19944	0.4
101.02448	0.8
103.00390	4.0
105.96051	0.4
108.74840	0.4
111.92971	0.6
113.02432	0.6
113.35345	0.3
115.00378	0.7
118.31663	0.3
119.03456	0.5
125.14748	0.3
128.93274	0.3
132.04564	1.2
133.01437	0.9
135.04521	1.2
138.97136	0.9
145.05148	0.4
149.06117	0.5
154.99892	0.6
166.03354	3.7
179.03548	0.4
195.03287	0.4
212.00241	13.1
213.00555	0.7
214.98413	0.5
219.94603	0.4
230.01268	2.6
236.79662	0.5
237.04446	0.4
277.90915	0.4
301.02545	0.4
306.94693	0.4
316.09048	0.4
317.00174	0.5
378.09158	0.5
408.04300	16.2
409.04691	1.9
450.05328	19.1
451.05740	2.1
476.03220	1.0
494.04327	18.2
495.04480	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	494.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19156	0.4
55.01866	0.4
59.01381	23.4
60.01733	0.4
61.98829	7.0
63.96235	0.6
65.84521	0.4
69.47443	4.2
71.01387	3.4
72.99314	0.7
73.02945	1.7
73.98312	0.6
74.99101	21.5
76.38424	0.4
79.95738	9.5
80.96522	2.7
83.01398	0.9
85.02979	1.5
86.69120	0.3
87.00884	0.4
88.04053	0.7
88.98804	0.7
89.02479	1.2
95.95242	42.8
96.96021	100.0
97.95977	0.5
101.02457	1.6
103.00390	3.9
105.96075	0.6
108.05753	0.4
113.02483	1.0
113.03587	0.8
115.00451	0.8
117.00137	0.5
117.18223	0.3
119.03512	0.5
120.01275	0.5
128.03558	0.8
132.04582	1.2
133.01390	0.6
135.04547	0.9
138.97076	0.5
154.99910	2.3
166.03337	3.2
179.05565	0.7
212.00240	14.6
213.00604	0.9
214.98346	0.5
230.01263	3.2
237.04298	0.9
259.01282	1.2
270.11325	0.7
274.98999	0.7
301.02414	0.5
331.12961	2.1
332.13263	1.5
389.21841	0.5
390.03317	0.6
407.98767	0.7
408.04279	19.1
409.04544	1.8
450.05313	20.3
451.05545	3.2
476.03320	1.1
477.03574	0.5
493.22974	0.6
493.31378	0.7
494.04303	18.6
494.25119	0.5
495.04639	2.9
495.24231	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11801	0.2
55.01880	0.2
59.01379	5.7
60.01708	0.3
61.98833	10.2
69.03466	0.2
71.01388	6.6
72.01710	0.2
72.99321	0.5
73.02937	1.1
73.04073	0.3
74.02470	1.5
75.00885	0.2
78.33993	0.2
83.01405	0.6
84.04578	0.2
85.02969	0.6
87.00895	0.6
87.05645	0.3
88.04060	0.2
88.98806	1.7
89.02454	1.1
91.05571	0.3
93.03461	0.4
95.05127	0.2
96.00949	0.3
99.04510	0.2
101.02453	1.4
104.03570	0.5
105.01970	0.3
107.05048	1.2
109.02958	1.8
109.04113	0.2
110.02477	0.2
112.04066	0.2
113.02475	0.8
113.03533	0.2
115.00387	6.1
116.07133	0.2
117.03478	0.5
117.54850	0.2
119.03542	0.4
119.05044	0.7
120.01264	0.7
120.05460	0.2
121.02982	0.4
123.04516	1.3
125.06121	0.2
127.05180	0.9
128.03564	1.5
129.10373	0.4
130.08752	0.6
131.03532	0.3
133.01447	3.3
133.02977	0.2
134.01772	0.3
134.02837	0.2
134.03781	2.6
135.04544	100.0
136.04883	4.7
136.07729	0.4
137.02483	3.1
138.05621	0.3
139.05106	0.2
143.04608	0.2
145.06253	0.6
146.04599	0.2
147.04550	0.4
149.04579	0.2
151.04016	0.3
153.05627	0.9
153.06654	0.3
154.99939	1.0
161.02417	0.5
161.04619	0.5
164.07158	0.4
166.08722	0.2
168.04248	0.2
169.05089	2.4
169.09868	0.3
170.57455	0.2
175.02475	0.5
177.79044	0.2
179.03516	18.0
180.03915	1.0
180.06448	0.2
199.13548	0.2
227.10573	0.2
229.64349	0.2
270.11453	0.9
271.09860	0.4
292.83395	0.2
301.11942	0.2
315.08752	4.3
316.09088	0.4
317.06677	0.8
327.09503	0.2
331.10315	0.8
333.09787	2.0
334.10327	0.3
337.54446	0.2
359.07587	1.1
377.08777	34.4
378.09079	4.3
383.89673	0.2
429.26971	0.2
433.25079	1.0
433.29788	0.2
458.13934	0.2
463.26019	0.2
475.21973	0.3
493.09586	0.4
493.15857	0.3
493.22461	2.4
494.23889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49581	0.2
55.01883	0.2
57.03444	0.3
59.01382	10.1
60.01705	0.5
60.11663	0.2
61.01814	0.2
61.98834	100.0
69.03473	0.2
69.39067	0.7
69.39494	1.5
71.01387	3.2
71.05048	0.2
72.99311	0.4
73.02957	1.6
74.02488	0.4
75.00880	0.3
79.05550	0.3
83.01398	0.7
83.05103	0.2
85.02966	1.2
87.00893	0.6
88.98837	0.3
89.02476	1.0
97.06638	0.3
99.00919	0.2
101.02463	2.0
105.07151	0.2
107.05102	0.2
111.07101	0.2
113.02466	1.3
115.00407	0.9
115.08855	0.2
119.03554	0.4
119.05038	0.3
120.01283	0.2
122.06152	0.2
125.09743	0.2
125.65842	0.2
128.03641	0.2
133.01469	1.2
134.01759	0.2
135.04556	0.5
138.05569	0.2
141.05629	0.2
149.06064	0.2
154.99936	0.6
161.04640	0.6
161.09650	0.4
161.13510	0.2
162.04887	0.2
175.02536	0.4
179.05675	0.3
187.11330	0.8
189.09291	0.3
191.02065	0.2
205.12274	0.3
212.11734	0.2
223.13377	2.4
224.13730	0.2
225.15042	0.3
226.15451	0.4
243.12292	0.3
244.12634	0.3
249.11349	0.5
254.17471	0.5
267.12384	5.7
268.12811	0.4
271.18951	0.2
287.15173	0.3
288.12888	0.3
288.15735	0.4
309.13303	0.2
315.24518	0.2
331.12366	0.3
332.12177	0.5
342.11124	0.2
360.16977	0.3
376.11447	0.4
421.32123	0.2
429.17722	2.6
429.22986	0.3
430.17975	0.4
432.22464	0.2
433.24356	0.9
448.22754	0.7
469.11996	0.2
492.25531	0.4
492.31879	0.6
493.23508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
58.00581	1.1
59.01381	91.9
60.01704	2.5
61.98832	100.0
64.54150	0.8
69.03450	0.9
71.01389	19.6
71.05011	1.4
71.73167	0.9
71.73566	1.4
72.99322	1.7
73.02953	7.9
74.99073	0.8
79.05523	1.8
83.01405	5.0
83.05045	1.7
85.02962	9.1
87.00877	4.1
89.02441	7.7
95.01410	1.5
96.00871	1.0
97.06619	3.3
99.00888	0.8
101.02461	10.0
102.02796	1.1
104.39544	0.9
106.06647	1.5
107.05030	3.0
112.98791	1.5
113.02459	8.5
115.00381	2.7
115.92094	0.9
116.92889	1.0
119.03484	2.3
119.05029	1.4
120.01219	1.3
120.99686	2.9
122.06107	1.7
125.02422	1.1
130.08752	4.0
131.03543	1.2
133.01459	2.6
134.06134	2.9
135.04552	4.5
141.05595	1.0
143.03523	2.3
143.04518	1.0
147.04501	0.9
148.04022	1.0
149.04552	1.6
149.49921	0.9
151.00398	1.7
154.99901	1.4
161.04572	3.2
161.09775	4.5
161.13351	1.6
163.11305	1.3
164.07085	1.2
175.02463	2.3
179.05589	1.3
187.11325	6.2
189.09219	1.7
205.12335	2.7
207.10284	2.6
209.03055	2.0
221.06563	1.1
223.13406	26.6
224.13731	2.5
249.11241	2.7
254.17557	2.4
255.11481	1.4
267.12350	55.3
268.12708	4.6
299.13684	0.9
301.11993	1.2
306.07584	1.1
309.13553	1.2
331.24789	1.9
373.22369	1.6
385.17856	1.0
391.23428	1.1
429.17599	24.0
430.18015	4.2
432.26755	1.4
433.28476	1.7
448.18433	5.6
457.21576	1.6
463.27618	1.0
466.59930	1.1
474.24463	1.2
492.28568	3.2
493.30811	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	491.2659
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01374	1.4
59.17234	0.3
61.98819	1.1
66.03488	1.2
70.97721	0.6
70.98102	0.7
71.02505	3.9
81.75787	0.3
82.01724	0.7
91.05538	0.3
97.00430	0.8
98.01232	0.4
99.02013	0.4
110.03618	1.3
111.02017	0.7
111.51968	0.3
112.29773	0.3
113.07198	0.6
115.08791	10.9
116.05065	1.7
118.06645	3.2
125.07227	3.1
126.05647	1.8
131.05055	0.3
141.06721	4.3
143.08263	0.3
146.06136	10.7
147.04604	0.4
147.06445	0.6
152.08301	0.9
153.06706	1.2
153.09120	0.6
157.05380	0.6
157.07689	0.4
163.08746	1.2
165.80003	0.3
168.07796	1.3
169.13470	0.8
170.09357	3.0
173.07201	1.1
174.05618	1.0
179.11928	4.3
180.12312	0.5
189.06688	0.6
194.13039	0.9
196.14592	0.7
197.12979	1.1
200.10895	1.7
201.06821	0.4
202.12317	0.6
214.15599	4.8
216.07779	0.6
217.13461	0.9
223.27643	0.3
224.14119	0.4
227.11931	2.7
228.10304	2.2
240.07796	1.4
240.13469	0.5
243.41589	0.3
244.14510	0.8
245.12981	3.7
248.10866	0.6
251.15059	0.4
254.17659	0.9
262.15570	3.4
269.16135	1.1
271.80545	0.3
276.10355	0.6
283.13095	0.5
283.18192	0.6
295.22748	1.6
299.17764	0.9
310.15399	0.5
314.79785	0.3
316.20285	0.4
326.18719	5.9
327.19043	0.8
344.19806	2.0
345.19977	0.4
404.09937	0.3
448.45895	0.3
473.25674	0.5
491.26611	100.0
492.26935	20.0
492.32822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	0.4
59.01376	6.6
60.01717	0.4
61.98829	1.0
69.32658	0.2
71.01385	2.6
71.72655	0.3
71.73326	0.2
72.01726	0.3
72.99319	0.2
73.02952	0.8
83.01392	0.3
85.02953	0.6
88.98815	0.6
89.02448	2.0
101.02454	1.3
108.01446	0.4
108.02188	8.3
109.02514	0.2
111.00899	0.2
113.02464	0.8
115.00400	1.2
116.00806	0.2
119.03515	0.5
119.05049	0.6
120.01250	0.2
120.05405	0.2
121.02933	0.3
123.03276	0.8
123.04546	0.3
125.02437	0.3
128.03529	0.6
130.06221	0.3
131.03586	0.4
133.01445	1.3
134.01764	0.2
134.03769	0.4
135.04546	1.7
138.01988	100.0
138.05605	10.6
139.02335	4.0
139.05978	0.5
149.04602	0.5
150.06392	0.2
154.99892	0.5
160.03960	0.2
161.04567	0.4
163.04027	0.4
163.77167	0.2
179.03491	0.5
179.05624	0.5
212.06369	0.3
268.09760	0.3
270.12115	0.2
282.96616	0.2
293.08636	0.3
300.10904	0.3
314.11246	0.4
376.11197	0.6
377.08737	0.4
432.15219	3.6
433.15631	0.5
492.21915	0.4
493.22888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68827	0.3
52.08234	0.3
56.89680	0.2
57.03448	0.3
58.00613	0.3
59.01381	100.0
60.01719	1.7
61.01803	0.5
61.98831	8.5
67.16003	0.2
69.87914	0.3
70.00069	1.4
71.01386	7.1
71.02531	0.3
72.00907	0.4
72.01748	0.3
72.99316	0.8
73.02950	2.2
74.02484	1.1
75.00882	0.3
78.95937	0.8
79.05562	0.6
83.01410	1.0
85.02964	1.2
87.00892	0.5
88.98837	0.3
89.02438	1.9
93.03465	2.3
93.03922	0.2
93.42422	0.2
96.96052	0.3
96.96983	0.6
97.06625	0.5
99.00902	0.5
101.02444	2.3
105.07125	0.3
108.02243	0.3
109.01734	0.3
109.02981	0.6
112.04164	0.3
113.02472	1.8
115.00394	6.7
116.00729	0.4
116.07185	0.3
119.03688	0.6
119.05044	23.4
120.05386	1.4
123.04514	0.3
130.08742	1.1
133.01453	8.1
134.01791	0.2
134.03758	3.8
135.04585	1.6
135.98409	0.3
136.01707	1.0
141.05638	0.4
143.03619	0.3
149.06099	3.6
151.04037	1.9
154.99901	0.3
155.10843	0.5
161.04544	1.2
163.04030	12.3
164.04433	0.7
179.03511	0.4
179.05670	0.3
181.01442	2.5
193.05064	0.2
196.03790	4.7
197.04266	0.4
211.06123	10.1
211.08052	0.5
211.11435	0.7
212.06525	0.6
212.08517	0.7
213.09135	0.4
221.06818	0.3
227.10709	0.5
227.16394	1.2
228.11504	0.3
236.16710	0.3
237.09300	0.3
254.17686	0.9
255.10283	0.5
262.15628	0.3
265.12271	1.9
271.10007	0.3
287.12988	1.1
298.25128	0.3
315.08847	0.5
319.71634	0.3
327.13840	0.3
331.11896	3.5
332.12170	0.3
356.47144	0.3
371.20569	0.3
375.10864	13.9
376.11230	1.9
389.21786	1.5
392.68835	0.3
429.27655	1.4
431.22876	3.6
432.23071	0.5
447.26776	0.4
491.14426	0.3
491.24762	0.9
491.30316	1.1
492.24673	0.7
492.31824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55169	0.4
57.03453	0.9
59.01382	100.0
60.01722	1.4
61.98831	2.8
71.01389	3.1
71.72517	0.7
73.02940	1.0
78.26001	0.4
83.01400	0.6
85.02961	0.9
88.98824	1.3
89.02489	0.6
99.04518	0.4
101.02456	2.6
105.74503	0.4
106.00698	0.4
106.06656	0.5
113.02483	1.4
119.03613	0.4
133.01431	0.4
150.05618	0.4
161.04662	0.7
177.86740	0.4
179.03540	0.5
236.16615	1.0
243.11566	0.6
254.17592	5.4
254.19820	0.5
272.13531	1.0
329.23343	0.9
363.51178	0.4
368.87790	0.6
374.16757	0.5
389.21973	1.7
406.23395	0.4
431.23059	0.9
446.95938	0.5
491.28445	4.5
491.35205	1.4
492.28757	0.8
492.35254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.4
58.00613	1.6
59.01381	100.0
60.01681	1.6
60.99313	1.7
61.98836	28.3
63.99259	1.6
69.03459	1.4
71.00989	1.9
71.01388	38.6
72.99326	1.4
73.02952	47.3
75.00874	1.5
75.24445	0.9
81.03460	1.1
83.01397	14.7
85.02946	6.3
87.00893	2.0
88.98820	8.3
89.02454	11.3
95.01370	1.1
96.00867	1.2
97.06693	1.1
98.19749	1.8
101.02459	49.1
105.01974	1.9
112.05309	0.9
113.02463	16.4
115.00373	5.8
119.03551	6.8
119.05039	9.2
120.01272	1.3
125.02502	1.8
127.05111	1.0
128.03558	1.8
130.08739	1.0
131.03523	3.9
131.04784	0.8
133.01442	9.3
134.03711	2.4
135.04546	4.0
143.03513	5.1
149.04604	8.3
149.06087	2.6
149.09718	6.8
150.03264	1.0
155.03523	2.1
161.04585	17.4
163.03986	4.5
167.10814	11.7
179.03668	1.2
181.01476	1.1
181.56342	1.0
196.03789	1.6
203.05606	1.9
211.06085	2.7
221.06691	3.9
225.14935	1.2
255.10318	1.1
264.25690	1.0
329.11429	2.5
331.11920	2.0
372.24731	1.0
375.10977	7.4
376.11176	1.1
389.45117	1.1
405.21854	1.0
428.25342	1.7
431.22900	1.3
441.46225	0.9
447.22458	1.8
491.20721	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.5
59.01380	100.0
60.01745	1.0
61.01815	1.1
61.98830	44.1
63.62205	1.0
69.03450	1.3
69.64581	0.9
69.73027	2.9
69.73442	4.4
71.01387	33.9
72.01756	1.0
72.99310	3.6
73.02951	41.3
75.00870	1.5
79.05528	1.3
81.03464	1.6
82.20832	1.0
83.01398	10.9
85.02965	4.5
87.00890	1.7
89.02438	7.2
93.03461	1.1
95.01423	1.9
96.53804	1.0
97.02943	1.5
99.00890	1.1
99.04541	1.6
101.02456	35.7
103.44653	1.2
113.02464	13.9
115.00375	8.2
119.03512	4.7
122.82536	1.0
123.08198	1.5
125.02457	1.5
125.09742	55.0
126.10075	3.1
126.37110	1.0
129.68661	1.0
131.03526	3.1
133.01453	11.7
134.01791	2.0
135.04506	3.0
137.09756	1.1
139.11290	2.4
141.05595	1.0
143.03520	3.2
149.04570	6.0
152.36734	1.0
161.04558	10.5
179.03500	2.1
181.12320	2.0
183.10237	4.2
199.13399	1.7
207.13904	3.2
211.11273	3.4
212.08382	1.5
221.06708	1.8
223.13478	1.3
225.14960	24.7
226.15312	2.5
243.12268	16.7
243.16052	1.3
244.12532	1.6
267.12314	3.3
268.37366	1.0
281.28207	1.1
287.12869	3.2
331.11768	4.2
375.10480	4.3
387.20236	16.5
388.20471	1.9
405.21167	3.6
447.22379	32.9
448.22919	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03432	1.5
58.00598	0.6
59.01380	37.2
61.98830	5.3
70.22594	1.4
71.01387	23.2
72.01720	0.4
72.99319	1.4
73.02951	13.7
75.00883	0.6
77.28412	0.4
83.01389	5.8
84.01707	0.4
85.02969	7.2
85.06596	2.6
87.00888	2.6
89.02455	5.9
95.01408	1.5
97.02982	0.7
97.06600	0.9
99.00870	4.0
101.02457	16.9
113.02476	7.9
119.03519	2.1
121.27657	0.4
125.02448	0.8
131.03572	0.6
133.01411	0.5
137.09769	0.5
137.82538	0.4
153.12814	0.7
155.14429	9.0
156.14761	0.4
159.03036	0.5
161.04578	2.3
181.12405	0.6
181.15997	2.7
199.13409	19.2
200.13722	1.1
225.14987	4.4
236.16594	1.1
254.17651	5.4
269.21252	0.5
277.12433	0.5
279.69916	0.5
287.22305	1.8
387.20215	7.7
388.20761	0.7
405.21298	16.2
406.21497	1.9
431.26511	1.9
447.22333	100.0
448.16431	0.7
448.22675	13.3
449.27472	3.7
491.28595	11.8
491.34967	1.5
492.28857	2.7
511.44339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.82152	0.9
57.03442	3.0
59.01381	100.0
60.01705	2.1
61.01817	1.5
61.98833	44.3
69.95210	2.3
69.95625	4.3
71.01388	32.6
72.99313	10.3
73.02950	13.2
74.02480	4.9
75.00882	1.9
78.95920	1.0
79.05543	14.4
79.68731	1.1
79.92863	0.9
83.01408	3.5
83.05054	1.0
84.22102	0.9
85.02971	4.3
87.00885	2.4
87.05591	1.0
87.64212	1.1
88.98795	2.7
89.02457	6.3
93.03480	4.2
95.05054	3.8
96.00934	2.9
96.96014	1.2
97.06599	15.3
98.02506	2.8
98.19912	1.7
99.00892	1.7
101.02464	12.5
105.07114	8.2
106.04272	1.7
107.05048	1.7
108.02178	2.2
109.02999	1.5
113.02448	6.2
115.00384	33.7
116.92844	1.3
119.03552	1.9
119.05056	5.4
121.02971	20.9
122.03262	1.2
123.04549	2.6
123.08168	2.0
125.02422	1.3
125.06075	1.2
125.09708	1.8
128.03543	1.6
128.28688	0.9
128.41393	1.0
129.10353	2.5
130.08777	1.8
133.01451	51.5
134.01797	1.7
134.03719	2.3
135.01855	1.3
135.04553	11.8
136.04922	1.4
136.07681	1.6
139.11320	17.4
140.07211	1.3
141.05589	13.1
143.03490	1.6
147.04465	1.2
149.06158	1.4
151.00417	6.3
152.07222	1.0
154.99876	2.3
160.05305	1.4
161.04596	2.4
163.04008	2.3
163.11200	1.0
175.02493	1.2
179.03500	3.2
179.05698	1.7
179.07207	1.1
180.03874	1.1
181.12393	9.6
183.10268	19.4
184.10649	1.5
186.12560	1.0
196.08983	1.7
199.07654	1.5
199.13383	2.0
209.09749	2.0
211.11308	19.6
212.08403	12.7
212.11546	2.1
213.09074	3.1
225.09326	1.8
225.11317	7.0
225.14874	6.8
227.10815	8.4
228.11510	8.1
236.16669	1.2
241.12241	1.8
243.12318	93.9
244.12558	6.1
254.17545	6.3
255.10178	1.5
269.17523	1.3
271.09802	1.8
285.13419	2.2
287.05713	6.2
287.12830	28.8
288.13251	3.1
308.12552	1.0
309.14600	2.5
329.10257	1.1
331.11874	42.4
332.12262	6.4
375.10754	17.9
376.11115	3.0
387.20126	3.2
405.21317	3.5
406.21609	1.3
414.16809	2.9
429.19931	1.1
431.22946	3.1
447.22720	18.8
448.22577	3.1
491.12402	1.5
491.25076	13.2
491.34708	1.7
492.25497	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	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
64.49872	0.7
69.96112	1.6
69.96506	2.2
71.01396	4.9
73.02950	3.8
74.99125	1.1
75.00880	4.6
87.00906	2.6
89.02456	20.0
101.02437	0.9
103.04042	1.6
115.00385	3.9
131.03529	5.1
133.01456	6.1
135.04533	2.7
137.06129	0.7
140.27232	0.6
149.04575	100.0
150.04921	3.0
161.37682	0.6
162.03334	1.0
165.05602	3.8
175.02536	4.8
175.03851	1.3
177.05553	3.7
179.03436	1.0
206.78990	0.7
207.06635	1.0
209.04495	1.1
221.04565	1.4
239.05629	2.3
244.06630	0.7
295.04715	0.8
366.43402	0.7
401.11176	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	491.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08238	0.5
57.03444	1.4
59.01381	100.0
60.01722	2.9
61.01816	0.8
61.98833	22.9
65.21148	0.5
69.42997	1.9
69.43420	3.5
71.01388	28.6
71.05063	0.5
72.99316	3.3
73.02951	5.1
74.02502	1.2
75.00862	1.3
79.05537	7.7
83.01396	2.5
83.05031	0.7
85.02975	3.4
87.00903	1.7
87.03297	0.5
88.98817	0.8
89.02457	4.7
91.01920	0.9
93.03472	4.4
95.01421	1.0
95.05060	0.8
95.13433	0.5
96.00946	1.4
96.96050	0.6
97.02966	0.9
97.06608	5.8
98.02493	1.1
98.20573	0.9
99.00924	0.9
101.02462	5.6
105.07116	11.3
106.04279	2.3
107.05068	2.0
108.02205	2.4
109.01703	0.6
109.02960	0.7
113.02464	3.4
113.03601	0.5
115.00391	45.0
116.00777	0.8
116.92904	0.7
117.03487	1.1
117.07178	0.7
119.03535	1.5
119.05029	3.5
120.01334	1.4
121.02976	7.3
121.06628	0.7
122.06194	0.8
123.04556	3.9
123.08207	1.5
125.02494	0.9
128.03560	0.8
129.10391	0.7
130.08792	1.8
133.01454	65.7
134.01822	1.6
134.03766	1.7
135.04546	3.1
136.07733	0.8
139.11322	1.9
141.05602	5.6
143.03555	0.9
147.04555	0.9
149.06104	0.8
160.05310	0.7
161.04630	2.2
163.04123	0.7
164.07175	1.3
169.06622	1.3
173.06104	0.8
174.06871	0.9
175.02484	1.4
175.04039	0.6
179.03525	0.8
179.07196	1.4
181.06586	1.0
181.08705	0.9
181.12335	1.4
182.07359	0.9
183.10306	1.7
195.08182	1.6
196.08972	0.7
198.06804	0.6
199.07698	2.5
209.09787	1.9
210.10373	0.6
211.08032	1.1
211.11288	28.9
212.08443	17.3
212.11386	2.5
213.09102	4.5
214.09467	0.5
221.06717	0.7
225.09296	0.9
225.11337	1.9
227.10753	13.2
228.11520	13.0
229.12003	0.9
232.13533	0.8
233.13879	0.8
236.16631	1.0
239.10681	0.7
241.12386	3.1
243.12263	4.9
243.14026	6.5
244.14374	1.0
254.17595	3.7
255.10333	2.4
267.12167	0.8
269.17752	0.6
271.09900	1.3
275.13165	0.6
285.04047	0.7
286.04260	1.3
287.12881	39.8
288.13220	5.3
300.02689	0.6
308.12949	1.0
331.11871	64.2
332.12140	8.3
343.13000	0.6
357.14532	0.7
371.20703	1.3
371.24792	0.9
375.10870	20.1
376.11273	2.7
389.21667	2.9
418.35306	0.6
428.29718	0.8
431.22800	3.2
447.22287	1.8
456.21454	2.4
473.24670	1.0
490.32809	2.1
491.11786	1.4
491.24982	3.6
491.34744	1.2
492.25589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13490	0.3
53.80588	0.4
59.01382	58.6
60.01715	1.7
61.01798	0.6
61.98837	12.7
68.14571	0.4
69.39800	4.5
71.01389	18.8
71.02493	0.6
72.99328	1.3
73.02963	1.7
74.02474	1.9
75.00884	0.4
78.95933	2.2
79.05539	0.9
83.01394	1.0
83.05076	0.5
85.02973	1.3
87.00919	0.9
88.04063	0.6
88.98794	1.0
89.02443	2.7
93.03456	2.6
95.01389	0.5
96.96989	0.8
97.06612	0.7
99.04536	0.4
101.02459	2.2
101.97543	0.4
109.03001	0.5
111.00923	0.4
113.02486	1.9
113.07270	0.4
115.00391	24.3
116.00720	0.4
116.07189	0.8
119.05048	100.0
120.05381	5.3
121.02975	1.3
123.00862	0.8
124.93800	0.4
125.02496	0.7
128.03569	0.7
129.10358	0.5
130.08766	1.4
133.01454	23.9
134.01801	0.8
134.03763	9.4
135.04529	1.2
136.01718	1.9
137.02481	1.0
139.00568	0.5
141.05605	0.6
143.11961	0.8
147.04570	0.5
147.82877	0.4
149.06111	8.3
150.06454	0.7
151.00343	0.5
151.04025	5.0
152.04787	0.7
153.01955	1.3
153.05608	0.9
161.04668	0.8
163.04031	58.8
164.04379	4.0
167.03493	1.9
181.01450	17.1
182.01860	0.8
185.16571	0.4
193.05043	0.8
195.02988	0.8
196.03793	34.8
197.04117	2.2
208.09818	0.5
211.06137	72.1
212.06467	4.6
212.08408	1.0
227.10835	0.6
227.16493	0.6
228.11433	0.6
236.16614	0.7
237.09212	0.6
243.14156	0.7
254.17664	1.5
255.10365	0.6
265.12341	1.4
287.12830	1.7
313.10849	0.8
315.08646	1.2
331.11862	3.6
332.12241	0.4
371.21048	0.5
375.10873	55.6
376.11197	6.8
429.27106	1.2
431.22729	3.1
447.19534	0.4
447.26117	1.8
490.30313	0.9
491.12350	0.7
491.24167	1.5
491.29749	1.1
492.25006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01381	100.0
60.01709	1.5
61.98836	5.9
69.03480	0.3
69.59148	1.4
69.59555	0.6
71.01386	8.8
72.96436	0.2
72.99330	0.9
73.02952	3.3
83.01411	0.8
85.02966	1.1
87.00897	0.7
88.98831	0.9
89.02448	1.8
98.20635	0.5
101.02468	3.1
108.02206	0.3
109.02967	7.0
109.04135	0.3
110.03345	0.3
113.02462	1.9
115.00387	11.1
119.03571	0.6
119.05047	0.4
121.02940	0.3
122.03786	0.4
123.04530	0.3
123.08193	0.8
127.05171	0.5
128.03548	0.3
129.08421	0.2
129.10294	0.3
131.03520	0.5
133.01453	17.3
134.01830	0.4
134.03766	0.7
135.04550	3.9
137.09811	0.3
141.05505	0.2
143.03592	0.3
143.05069	0.4
145.02953	2.0
146.03735	0.7
147.04558	0.6
148.05368	0.5
149.04660	0.5
149.06148	0.9
152.16853	0.3
154.99872	0.3
157.20505	0.2
159.04579	1.8
160.05318	3.3
161.02499	0.6
161.04607	0.9
161.05937	0.5
163.04062	0.4
165.09268	0.2
174.49698	0.3
175.04039	1.0
175.07678	0.6
179.03532	3.9
179.05257	0.4
179.05623	0.3
179.10834	0.3
180.03972	0.3
187.04008	4.6
187.07668	0.4
188.04530	0.3
193.05164	0.9
203.05672	0.3
204.04239	1.8
207.06697	0.4
207.13943	0.3
219.06625	7.9
220.07077	0.7
241.10736	1.3
243.06699	0.4
255.06496	0.3
263.05566	3.4
263.07928	0.3
269.11887	0.3
285.11255	1.7
286.11740	0.3
297.07721	0.8
311.09378	0.3
329.10361	4.5
330.10812	0.9
341.14105	1.0
355.08228	0.4
357.10257	0.5
369.19159	0.8
373.09302	12.5
373.18997	0.5
374.09579	1.9
387.20499	0.9
429.21280	1.8
452.19891	0.3
454.20587	1.1
455.20801	0.3
471.23105	0.5
472.23599	0.3
489.23700	1.7
489.30313	7.2
490.24911	0.6
490.31067	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	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01381	100.0
60.01709	1.5
61.98836	5.9
69.03480	0.3
69.59148	1.4
69.59555	0.6
71.01386	8.8
72.96436	0.2
72.99330	0.9
73.02952	3.3
83.01411	0.8
85.02966	1.1
87.00897	0.7
88.98831	0.9
89.02448	1.8
98.20635	0.5
101.02468	3.1
108.02206	0.3
109.02967	7.0
109.04135	0.3
110.03345	0.3
113.02462	1.9
115.00387	11.1
119.03571	0.6
119.05047	0.4
121.02940	0.3
122.03786	0.4
123.04530	0.3
123.08193	0.8
127.05171	0.5
128.03548	0.3
129.08421	0.2
129.10294	0.3
131.03520	0.5
133.01453	17.3
134.01830	0.4
134.03766	0.7
135.04550	3.9
137.09811	0.3
141.05505	0.2
143.03592	0.3
143.05069	0.4
145.02953	2.0
146.03735	0.7
147.04558	0.6
148.05368	0.5
149.04660	0.5
149.06148	0.9
152.16853	0.3
154.99872	0.3
157.20505	0.2
159.04579	1.8
160.05318	3.3
161.02499	0.6
161.04607	0.9
161.05937	0.5
163.04062	0.4
165.09268	0.2
174.49698	0.3
175.04039	1.0
175.07678	0.6
179.03532	3.9
179.05257	0.4
179.05623	0.3
179.10834	0.3
180.03972	0.3
187.04008	4.6
187.07668	0.4
188.04530	0.3
193.05164	0.9
203.05672	0.3
204.04239	1.8
207.06697	0.4
207.13943	0.3
219.06625	7.9
220.07077	0.7
241.10736	1.3
243.06699	0.4
255.06496	0.3
263.05566	3.4
263.07928	0.3
269.11887	0.3
285.11255	1.7
286.11740	0.3
297.07721	0.8
311.09378	0.3
329.10361	4.5
330.10812	0.9
341.14105	1.0
355.08228	0.4
357.10257	0.5
369.19159	0.8
373.09302	12.5
373.18997	0.5
374.09579	1.9
387.20499	0.9
429.21280	1.8
452.19891	0.3
454.20587	1.1
455.20801	0.3
471.23105	0.5
472.23599	0.3
489.23700	1.7
489.30313	7.2
490.24911	0.6
490.31067	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55841	0.6
55.01884	1.4
57.03448	1.8
59.01382	100.0
60.01720	1.8
60.39257	0.7
61.98492	1.0
61.98833	15.5
66.43029	0.9
71.01389	20.2
71.07343	0.8
71.07676	1.7
72.99301	1.2
73.02956	7.1
74.02505	0.9
75.00877	1.1
79.05553	1.6
83.01408	3.3
83.05073	1.1
85.02965	8.4
87.00877	3.7
87.40520	0.7
89.02467	6.5
95.01418	2.0
96.00932	2.0
96.96021	1.0
97.02953	0.8
97.06624	1.0
99.00914	2.4
99.04520	0.9
101.02460	16.0
109.06639	0.9
113.02454	8.1
115.00410	5.5
115.04070	0.7
116.92886	1.9
119.03539	1.6
123.04556	0.7
125.02505	0.8
127.05186	1.2
128.03587	1.8
129.02017	0.7
130.08768	0.8
131.03587	0.8
133.01485	6.1
134.03810	0.8
135.04538	15.4
136.04848	1.4
141.05629	1.5
143.03596	1.4
147.04640	1.0
159.03065	1.0
161.02467	1.4
161.04567	8.9
161.77490	0.7
163.11266	4.9
164.07167	1.1
175.02460	1.3
179.03490	10.2
181.12549	0.7
193.05180	1.5
198.02003	0.8
200.54393	0.6
203.05679	1.5
205.12372	1.2
223.13411	1.1
225.15048	2.4
285.04224	1.9
325.16602	4.3
343.17636	1.2
369.19168	7.2
369.22739	0.8
370.19757	1.4
373.09106	1.2
387.20267	8.1
388.20578	1.5
422.90369	0.8
429.21259	38.9
430.21649	5.3
445.20789	4.5
446.20572	0.8
448.27551	0.8
489.26224	4.9
489.32224	2.1
490.17728	1.0
490.24210	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01379	100.0
60.01718	1.4
61.64340	0.2
61.98833	3.1
71.01385	8.1
71.05029	0.3
71.73560	0.3
72.01720	0.3
72.99316	0.7
73.02950	3.2
73.98014	0.2
81.13777	0.2
83.01389	1.3
83.05034	0.3
85.02951	1.2
87.00886	0.5
89.02460	2.3
94.54592	0.2
95.01400	0.4
95.05074	0.2
97.02991	0.3
97.22743	0.2
99.00912	0.3
101.02457	4.0
102.02775	0.3
109.02988	0.9
113.02466	2.5
115.00378	8.0
119.03568	0.8
119.04993	0.2
122.03797	0.3
125.02493	0.3
127.51751	0.2
130.08694	0.2
131.03502	0.5
133.01450	17.7
134.01805	0.4
134.03781	1.6
135.04539	14.9
136.04907	0.7
138.06882	1.2
141.05615	0.3
143.03526	0.3
145.03018	0.3
147.04559	0.3
148.05351	0.5
149.04601	0.5
149.06120	0.4
153.09235	3.8
161.02579	0.5
161.04585	1.9
161.05923	0.3
163.11311	0.3
175.04056	0.7
178.02734	0.4
179.03505	12.8
179.05518	0.5
180.03888	0.7
187.04042	0.5
193.05070	1.2
203.05649	0.4
205.12451	0.2
207.06633	0.8
207.14009	0.4
219.06671	0.6
221.06837	0.3
225.14961	8.1
226.15361	0.7
249.04115	0.4
259.28229	0.2
263.05643	0.9
285.11453	0.8
329.10468	0.6
331.68030	0.4
341.11050	0.7
369.19196	3.7
370.19580	0.4
373.09277	4.5
374.09781	0.5
385.18448	0.2
387.20306	2.9
388.20755	0.3
426.24594	0.2
427.19998	0.3
429.21307	7.4
430.21582	1.2
445.20621	0.4
489.23630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.95596	0.3
60.01722	1.3
61.98826	1.0
66.68758	0.3
70.85049	0.7
70.85408	0.4
71.01385	8.9
72.99311	0.7
73.02950	5.6
75.00849	0.3
83.01391	2.1
85.02953	0.9
87.00890	0.3
88.04077	0.6
89.02443	3.3
95.01383	0.5
95.05106	0.4
101.02457	7.9
101.03072	0.6
109.02979	0.9
113.02438	3.5
115.00381	7.5
115.01125	0.5
119.03526	1.4
123.04568	0.4
124.01673	0.4
130.35890	0.3
131.03535	0.9
133.01450	13.6
134.01791	0.5
134.03775	0.5
135.04536	4.7
136.04890	0.4
143.03545	1.1
146.03767	0.3
148.05318	0.9
149.04605	2.0
149.06079	0.3
153.09158	0.4
159.04637	0.4
161.04590	4.3
161.05876	0.5
162.04977	0.4
167.64677	0.3
175.04018	2.2
179.03496	3.5
187.04050	0.5
193.05087	1.2
205.12434	0.5
207.06676	0.7
219.06555	0.5
221.06606	2.2
229.08867	0.3
241.10953	0.3
251.05594	0.4
267.10132	0.5
270.09094	0.4
270.78397	0.3
285.11322	3.3
286.11667	0.7
298.14236	0.5
329.10291	1.6
355.08203	0.9
373.09207	4.9
374.09827	0.8
385.18954	0.9
427.20050	0.6
445.20798	5.1
446.21234	0.6
459.85577	0.3
489.19629	0.9
489.24500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42631	0.3
57.03444	0.6
57.32485	0.3
59.01382	22.5
61.98835	5.2
69.03449	0.6
70.31138	0.6
70.31530	0.6
71.01386	7.5
71.05031	0.7
73.02949	6.8
74.03290	0.3
75.00873	0.4
80.02222	0.4
80.02686	1.8
83.01393	1.8
83.61788	0.3
85.02953	1.1
87.00899	1.5
89.02452	1.9
95.01405	0.4
96.95998	0.4
97.02930	0.9
98.03746	10.3
99.04554	1.5
101.02463	5.3
113.02483	1.5
115.00373	0.7
119.03481	0.6
123.07446	0.3
123.08199	2.9
123.81946	0.3
125.09733	2.6
130.08731	0.4
131.03516	0.4
141.09192	1.4
143.04683	0.3
143.10747	0.5
155.21590	0.3
161.04521	0.5
163.11308	1.8
169.08643	0.3
175.02525	0.4
179.03558	0.5
179.14433	3.7
197.15559	0.4
205.12300	0.5
207.13869	0.3
223.13390	12.7
223.15587	0.6
224.13751	1.0
225.14903	1.8
226.15367	0.4
240.03938	0.3
241.14449	65.5
242.14796	5.4
243.16054	1.1
251.79501	0.3
255.16478	0.4
257.38843	0.4
307.11945	0.5
309.16931	0.4
327.18320	0.5
351.70038	0.3
373.09161	0.4
385.18655	1.1
403.19751	9.0
404.19980	1.4
427.25565	0.9
445.20782	100.0
446.21109	15.6
463.73441	0.3
489.27094	1.7
490.23871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03438	1.2
57.86081	0.5
59.01384	40.3
60.01701	0.4
60.99290	0.4
61.98832	7.9
63.59084	0.4
69.03434	1.2
69.63772	3.9
69.70087	0.4
71.01387	11.0
71.05022	1.1
72.99293	0.8
73.02953	6.8
75.00849	0.6
80.02701	1.1
83.01393	3.1
84.04517	0.5
85.02965	3.8
87.00900	2.3
89.02463	3.0
97.02965	1.2
97.06593	0.6
98.03160	0.7
98.03748	10.2
98.20618	0.8
99.00845	0.8
99.04533	1.3
99.92570	1.3
101.02465	6.7
102.49706	0.4
104.58204	0.4
111.00863	0.5
113.02454	3.7
115.00354	1.2
115.92098	0.8
123.08179	2.8
125.02413	0.5
125.09709	2.7
128.03572	1.1
133.01459	0.8
135.04558	0.6
141.09254	1.1
143.04594	0.9
143.10768	0.6
149.04584	0.6
154.99826	0.5
155.10751	0.6
161.04608	0.7
162.02309	1.3
163.11282	2.0
171.10266	2.0
175.02469	1.1
179.14427	3.4
187.12962	0.5
197.15349	0.4
205.12361	0.7
211.13374	1.6
221.11855	0.6
223.13396	12.5
224.13795	1.2
225.14934	1.3
229.14449	2.7
241.14458	66.8
242.14757	5.6
243.15999	0.8
291.19675	0.7
309.20770	0.8
327.21667	1.3
371.24350	0.5
383.28888	0.5
385.18530	1.3
393.23422	0.5
403.19699	10.0
404.20074	1.3
410.07181	0.5
429.25021	3.0
445.20789	100.0
446.21088	14.2
447.26144	1.8
489.27072	21.7
490.27277	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	489.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62419	0.4
55.01873	0.5
57.03453	0.7
58.00593	0.7
58.01249	0.4
58.01571	0.4
59.01380	80.9
60.01720	3.1
61.01807	1.2
61.98832	10.2
69.03458	0.5
71.01387	27.6
71.05020	0.8
71.73217	0.6
72.01740	1.0
72.99310	4.1
73.02950	7.1
73.03341	0.6
75.00858	0.6
76.02884	0.4
81.03497	0.4
83.01406	1.4
84.03069	0.4
85.02953	3.1
86.03326	0.4
87.00900	1.3
88.98817	1.2
89.02458	5.4
95.01382	1.0
95.05053	0.5
95.07088	0.4
97.02969	0.5
99.00892	0.5
101.02457	7.5
102.02802	0.7
102.05611	0.6
103.00307	0.4
107.05043	0.8
109.02962	3.4
113.02469	5.2
114.02820	0.7
115.00389	50.5
116.00736	1.0
119.03513	1.3
119.05048	0.7
121.02946	0.7
122.03750	1.8
123.04536	6.0
123.08174	1.3
125.02471	0.5
128.03584	1.2
131.03503	0.5
133.01450	100.0
134.01801	2.0
134.03761	3.1
135.04543	12.8
135.08150	0.6
136.04884	0.8
137.02498	0.6
143.03510	0.7
145.02963	0.9
146.03784	1.1
147.04591	1.7
148.04126	0.7
148.05321	13.0
148.97900	0.4
149.04567	0.6
149.06035	2.2
150.03275	1.5
151.03993	0.9
153.05624	0.7
153.09189	0.6
160.01738	0.9
161.02432	1.2
161.04585	2.8
161.05984	0.7
161.09705	1.5
162.03267	4.6
163.03928	1.2
163.07652	1.6
163.11224	0.4
167.07220	0.5
174.03265	2.8
175.04022	3.1
178.02524	0.4
179.03522	6.9
179.10757	0.9
180.04295	3.6
187.04036	1.5
192.04288	1.3
193.05119	2.9
197.11826	1.5
205.08533	0.4
205.12373	1.3
206.02228	1.2
206.12694	1.1
207.06644	2.7
219.06668	1.2
219.13918	0.6
221.06393	0.5
223.13336	1.5
224.13687	0.8
225.14783	0.4
241.10826	5.8
242.11148	0.5
251.05589	1.1
253.08908	0.4
263.05600	1.3
268.07446	1.4
269.08047	0.4
278.05936	0.4
285.11322	26.5
286.11588	2.7
296.06863	1.4
311.09265	4.8
312.09613	0.5
329.10300	9.2
330.10455	1.2
341.13757	1.3
355.04022	0.7
355.08221	7.9
356.08453	1.1
357.09299	0.5
367.17642	0.9
368.18027	1.1
369.18390	2.3
373.09299	25.6
374.09634	4.0
385.18616	0.7
386.18869	1.1
387.19687	1.5
429.20834	1.5
445.21210	0.6
481.67670	0.5
489.10443	1.1
489.16748	0.6
489.23526	2.0
490.24921	1.0
490.31232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11597	0.2
57.03448	0.9
59.01380	80.9
60.01716	0.7
61.01810	0.3
61.98831	3.8
70.37222	1.2
71.01386	21.8
71.05014	0.3
72.01718	0.4
72.99310	3.4
73.02946	4.1
74.03302	0.3
75.00893	0.3
83.01379	1.5
85.02959	1.7
87.00892	1.1
88.04040	0.5
89.02462	4.6
95.01420	0.4
99.00916	0.5
101.02455	5.4
109.02963	6.5
109.03669	0.5
110.03333	0.3
113.02467	4.0
115.00388	43.3
116.00700	1.4
119.03524	1.1
119.05027	0.3
125.02454	0.3
131.03571	0.3
133.01451	100.0
134.01752	2.3
134.03752	1.9
135.04539	18.4
136.04924	0.6
137.09760	1.4
141.05644	0.3
143.03526	0.6
143.05020	0.3
145.02977	1.6
146.03773	0.5
147.04582	0.4
149.04587	0.6
149.06094	0.9
153.09230	0.4
158.03748	0.3
159.03043	0.3
159.04523	1.2
160.08966	0.4
161.02495	2.7
161.04585	3.4
161.05922	0.4
163.11322	0.3
175.04085	0.7
175.11330	0.5
177.86731	0.3
179.03513	20.8
180.03824	0.8
187.04015	4.5
189.12894	0.6
193.05106	2.0
197.11861	1.4
203.05534	0.4
205.12309	0.6
207.06609	1.1
207.13908	3.5
219.03049	0.4
219.06625	5.5
220.06990	0.5
220.10484	0.4
223.13397	0.5
224.09264	0.3
224.75186	0.3
225.14969	2.8
240.04263	0.5
241.10785	2.7
252.07881	1.1
255.06580	0.8
263.05661	4.5
264.05920	0.4
267.10181	1.3
281.11511	0.7
285.11218	0.7
297.07727	0.5
297.13547	0.4
323.39767	0.3
328.44818	0.3
329.10321	3.9
330.10654	0.6
341.06863	0.4
341.10785	0.5
355.08276	1.6
363.57074	0.3
367.17651	0.4
369.19156	6.4
370.19424	0.5
373.09305	15.5
374.09613	1.7
374.20667	0.3
385.18521	0.4
387.20419	2.3
388.20624	0.3
426.24142	0.3
427.19440	0.9
429.21417	4.5
430.21768	0.7
444.18845	0.3
445.19177	0.7
489.10156	0.3
489.23242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
70.99879	1.8
71.00217	1.1
71.01379	3.9
72.83496	0.7
74.99107	12.7
75.00873	1.1
78.86069	0.7
79.95747	5.6
80.96549	1.3
85.02975	1.3
95.95248	24.0
96.96026	100.0
101.02451	1.2
113.02457	1.0
115.00391	2.2
119.03561	1.1
122.98261	0.7
123.04594	0.7
128.03580	1.1
132.04585	3.1
133.01479	6.3
134.01799	1.0
135.04524	2.2
136.74673	0.8
137.60158	0.8
138.97090	2.8
148.86226	0.7
149.06107	1.9
160.76335	0.9
166.03355	41.7
167.03632	1.4
169.70302	0.8
179.03516	2.2
198.99196	1.9
201.67538	0.9
221.08246	1.7
222.08597	1.1
241.00224	22.6
259.01276	16.6
267.94128	0.8
274.99011	2.0
285.11328	1.5
408.04300	69.4
409.04590	9.2
449.94733	0.8
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
57.03445	5.6
57.88988	1.6
59.01382	100.0
60.01707	2.0
61.98838	25.3
67.09293	1.4
71.01384	32.2
71.72313	2.2
72.99310	2.3
73.02963	7.8
78.95924	1.7
79.05563	3.0
83.01411	4.3
83.05058	2.5
84.04555	4.6
85.02962	11.3
86.02502	1.9
87.00886	17.4
89.02450	6.8
95.05017	2.3
96.00948	3.2
96.96011	2.6
97.06616	9.0
99.00897	2.9
101.02428	10.7
103.72748	1.6
113.02460	10.5
113.07212	2.0
115.00388	33.8
115.92114	1.7
119.03526	2.8
119.05083	2.0
123.08181	4.5
125.09741	29.4
126.10095	5.2
128.03549	4.6
130.08783	10.0
133.01457	5.9
135.04497	3.1
136.07735	1.6
143.04637	4.2
149.13554	1.9
153.09215	1.9
157.01384	2.8
159.04526	4.7
160.04906	4.0
161.04610	2.3
161.09673	2.0
162.02309	18.1
164.07129	2.3
175.00972	4.0
175.02501	82.6
176.02890	3.2
176.04424	1.8
179.03519	1.9
186.11385	19.1
187.11621	3.9
203.03557	4.6
204.03873	3.2
209.16075	1.6
223.13364	10.8
235.06265	2.3
236.06693	1.7
248.16595	2.6
250.14525	2.3
252.07666	3.2
267.12366	5.2
272.09006	2.4
300.19556	3.2
301.19852	1.9
306.11172	2.7
317.22397	6.6
318.22733	4.8
325.20163	2.6
328.12595	3.1
340.08948	2.7
359.19046	4.2
371.11716	3.0
372.11581	13.5
425.14490	45.6
426.14664	8.5
444.18689	2.2
470.30725	2.4
487.31750	39.2
488.24594	11.4
488.31940	44.0
489.26453	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13947	0.8
57.03450	4.4
57.26280	0.4
58.00580	0.6
58.01269	0.4
58.02981	0.4
59.01381	55.2
60.01714	0.7
61.98831	6.5
64.38164	0.4
64.52027	0.4
69.03461	0.7
70.02985	12.4
71.01388	13.9
71.03310	0.4
71.05028	0.9
71.74081	0.5
71.74503	0.5
72.04556	0.9
72.99339	0.4
73.02948	4.1
74.02480	0.4
75.00883	3.3
83.01411	1.3
83.05038	1.2
85.02972	2.4
87.00896	1.4
89.02460	4.9
91.01924	1.4
93.03481	1.4
95.01429	0.8
96.00926	66.3
96.96065	0.5
96.99344	1.4
97.01271	1.3
97.06608	0.5
99.00891	0.7
100.07669	0.6
101.02460	6.8
103.34946	0.5
108.02197	0.6
109.02992	0.6
111.08208	0.6
112.07740	0.4
113.02461	3.5
113.03616	1.7
113.15838	0.4
114.01986	27.2
115.00392	4.0
115.02332	0.5
115.04047	0.6
119.03503	2.2
119.05006	0.6
120.01215	0.4
123.04554	2.9
123.08231	0.8
124.01668	0.5
125.09742	1.1
127.11295	0.5
128.03590	1.0
128.14461	0.4
130.08789	0.4
131.04620	4.1
133.01440	1.1
133.03017	1.0
133.10205	0.6
135.03065	0.5
136.07762	0.4
137.09776	2.4
142.12422	3.9
143.03549	0.6
143.05072	3.9
145.02937	0.9
146.03772	0.9
151.07666	0.6
152.10843	8.4
152.11980	0.7
153.09232	0.6
153.12839	0.5
155.10789	3.1
158.03815	0.9
159.04558	1.9
159.06725	0.4
161.04590	1.2
161.05956	0.4
163.04031	0.5
170.11882	20.0
171.10280	0.6
171.12260	1.2
173.06166	0.5
175.02557	0.7
179.03406	0.4
179.10800	0.9
183.13966	0.4
187.03928	0.4
187.11343	0.7
199.12134	1.0
201.14940	3.5
204.98773	0.4
205.12413	1.2
221.06575	0.4
225.05247	0.5
226.06468	1.1
229.14532	1.2
230.15186	3.8
233.11816	0.6
236.54982	0.4
241.08769	1.2
247.17310	0.5
250.06345	0.6
251.07155	5.1
252.07867	2.4
262.14310	0.4
265.08847	0.8
265.14563	0.6
279.06650	2.4
280.07388	5.6
281.07965	0.7
289.18253	0.5
295.09763	6.0
296.10379	0.5
307.19095	2.3
311.02286	0.4
318.24609	0.4
324.06454	0.8
325.20590	0.5
331.00632	0.4
339.08768	4.5
351.21957	0.9
354.26486	3.5
357.09799	6.1
358.10269	0.9
359.19086	0.5
371.11407	12.1
372.11655	2.0
372.27502	9.0
372.31451	0.6
373.27960	1.3
443.19336	0.9
445.24554	1.2
469.24658	0.4
469.29446	7.4
470.29770	1.0
487.30658	100.0
488.25305	1.7
488.30951	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2549
Annotation	MR 387B
Peak:m/z	Relative Intensity
53.75566	0.3
55.01884	0.7
57.03440	0.4
58.00600	0.7
59.01378	100.0
59.93540	0.2
60.01723	1.1
60.10728	0.3
61.98831	4.2
69.03472	0.4
71.01383	17.3
71.29963	0.5
72.01717	0.4
72.99323	1.0
73.02950	13.2
75.00894	0.4
81.03483	0.4
83.01394	4.2
85.02956	2.8
87.00890	1.4
88.41448	0.3
88.98853	0.3
89.02454	6.1
95.01412	0.4
96.00980	0.3
97.02953	0.5
99.00901	0.7
101.02454	11.5
102.02793	0.5
106.29045	0.3
111.59938	0.3
113.02466	4.3
115.00458	0.5
118.54852	0.3
119.03491	1.8
125.02487	0.4
131.03548	0.4
139.04068	0.7
143.03532	0.6
149.04541	0.5
161.04622	1.2
162.02292	0.6
179.05653	0.4
187.11110	0.3
232.13457	0.8
247.17044	0.5
250.14502	0.4
265.18124	1.4
266.18332	0.4
283.19403	0.4
287.87064	0.3
359.18643	0.4
385.22296	0.7
409.22366	0.4
427.23431	2.8
445.24323	3.8
445.70712	0.3
446.25098	0.6
469.24390	4.4
470.25107	0.7
487.25458	88.5
488.25766	13.4
488.31174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55539	0.4
59.01381	100.0
60.01730	1.0
69.03471	0.6
71.01390	12.7
71.25400	1.3
72.99334	0.5
73.02951	12.8
83.01395	4.7
85.02957	2.4
87.86651	0.4
89.02456	4.6
97.02979	1.0
97.35657	0.4
101.02462	14.4
108.05850	0.5
113.02464	7.0
117.74635	0.6
119.03561	1.8
123.08177	0.7
125.02522	0.7
131.03569	1.0
136.05298	1.0
138.06918	3.2
139.07669	1.1
143.03545	1.3
149.04547	2.5
151.07639	3.6
152.08441	7.3
152.19460	0.5
153.09244	28.4
154.09604	1.9
161.04585	5.3
165.09280	0.7
179.05722	0.5
203.05658	1.9
203.89293	0.5
205.12358	11.2
206.12769	1.1
221.06732	1.0
223.13414	9.0
224.13780	1.0
367.17624	8.9
368.18262	1.0
378.09320	0.5
385.18665	3.7
386.18869	0.5
427.19714	12.4
427.25348	0.8
428.20282	1.7
461.00690	0.5
488.19733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.51271	0.4
59.01380	100.0
60.01703	1.0
61.98832	4.4
63.36536	0.4
63.60823	0.4
71.01382	11.7
72.99330	0.6
73.02950	5.8
83.01401	1.6
85.02956	4.2
87.00906	0.7
89.02448	4.4
95.01407	1.5
99.00895	0.6
101.02457	8.1
101.03077	0.5
113.02473	9.3
113.06136	1.1
114.02834	0.6
119.03527	1.6
125.02492	0.8
131.03520	1.1
133.01410	0.4
137.09741	1.0
143.03502	1.0
149.04572	0.9
151.07701	0.6
153.09222	4.6
157.03140	0.4
160.08902	0.5
161.04573	5.0
165.09236	2.8
175.11285	0.5
177.12930	0.4
179.05693	0.5
182.38350	0.4
187.11328	1.5
195.13815	0.5
203.05698	1.0
205.12334	5.4
219.10333	0.7
221.06767	0.6
223.13394	17.9
224.13890	1.5
327.09659	0.4
357.19391	0.9
367.17609	8.3
368.18011	1.2
385.18625	3.8
427.19595	2.3
428.19968	0.7
436.15408	0.4
443.19193	0.9
487.31601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
58.00592	0.5
59.01382	100.0
60.01729	0.6
61.98838	1.4
62.59297	0.4
65.81680	0.5
67.86356	0.4
69.03459	0.9
71.01386	17.5
73.02954	24.7
74.03281	0.5
75.00880	0.5
83.01386	6.6
83.01788	0.5
83.68710	0.5
85.02959	3.6
87.00876	0.6
89.02464	6.8
95.01433	1.3
97.02958	0.5
98.70497	0.4
101.02458	23.4
102.02805	0.7
113.02470	8.7
119.03551	2.9
123.08218	0.8
125.02477	0.7
131.03491	2.4
133.10326	0.5
143.03528	3.1
143.84528	0.5
147.08168	0.7
149.04570	4.8
153.09236	4.8
155.03571	0.8
161.04585	8.3
162.04825	0.5
175.11388	0.6
175.48906	0.5
179.05737	1.1
187.11363	1.2
203.05649	1.3
205.12360	8.0
205.14014	0.6
206.12845	0.8
221.06677	2.3
223.13489	1.7
367.17661	7.3
385.18704	6.1
386.19131	0.7
427.19751	16.7
427.25494	0.8
428.20087	2.3
443.19116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09198	0.5
55.01896	1.1
57.03451	22.1
58.00606	1.0
59.01383	84.1
60.01735	1.1
61.98832	15.0
61.99143	0.9
66.33300	0.5
69.03471	1.6
70.37393	0.5
70.48231	2.2
71.01390	31.4
71.05016	1.1
72.01714	0.6
72.99320	1.8
73.02953	32.1
74.02509	0.7
78.37104	0.5
83.01395	10.5
83.05026	0.6
85.02966	6.1
87.00903	1.9
88.04124	0.5
89.02455	8.1
89.11137	0.5
95.01427	1.7
96.00943	1.9
96.96053	0.8
97.03028	0.8
99.00944	1.0
99.04601	0.6
101.02461	24.1
101.31847	0.6
102.02823	0.6
109.06629	1.5
111.01014	0.5
112.82001	0.5
113.02468	9.7
114.02015	0.8
115.00430	2.0
115.04046	0.8
119.03536	2.8
119.05039	0.7
119.74008	0.6
120.01360	0.7
121.06642	2.0
123.08197	2.3
125.02510	1.2
128.03616	0.9
130.08865	0.6
131.03554	1.9
133.01506	1.7
133.10278	0.8
135.04550	1.5
135.08211	0.7
135.11813	0.9
143.03542	1.3
147.08226	1.4
147.11838	1.1
149.04543	1.0
149.09776	2.9
149.17239	0.6
151.07645	1.4
155.03497	0.7
159.11835	1.7
161.04581	4.5
161.09796	2.7
163.04111	0.6
163.11333	2.9
165.09264	1.5
168.06610	0.6
168.10629	0.5
173.08334	1.2
173.09787	1.4
175.02560	0.8
175.11302	18.0
176.08519	0.7
176.11639	1.9
177.12866	24.6
178.13200	1.8
179.05597	0.9
182.45773	0.5
184.13499	1.1
191.10809	3.8
205.12482	1.1
221.06674	0.7
221.11792	3.9
223.13422	1.8
307.19193	1.1
312.29333	0.6
357.19528	1.0
367.18048	0.8
371.11890	2.4
401.18198	7.0
402.18805	0.8
427.19589	1.5
443.19250	100.0
444.19571	14.4
461.91986	0.6
487.25229	12.4
488.25656	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03444	1.4
58.00600	0.6
59.01379	100.0
60.01359	0.4
60.01714	1.1
61.98837	3.7
66.99658	0.4
69.03458	0.4
70.02967	0.4
71.01388	14.9
71.72089	0.7
72.99342	0.8
73.02950	18.9
75.00867	0.5
81.03454	0.3
83.01398	5.0
83.05023	0.6
85.02954	2.8
86.62234	0.4
87.00898	1.5
89.02457	6.5
91.40505	0.4
95.01385	0.5
96.00931	1.9
97.02928	0.4
99.00888	0.6
101.02454	14.2
113.02451	5.2
114.02026	0.5
115.00354	1.1
119.03514	2.2
130.08727	0.6
131.03539	0.8
133.01433	0.4
143.03499	0.9
149.04533	1.2
161.04579	2.9
161.09738	0.8
163.11243	0.4
175.02484	0.8
175.07643	0.4
177.12773	0.4
179.05577	0.7
179.65350	0.4
181.12291	0.5
187.11336	2.4
190.10060	0.5
205.12346	3.7
207.98932	0.4
223.13412	0.9
233.11673	1.1
251.07196	0.4
259.13382	0.6
277.14374	0.9
295.09641	0.5
307.19052	0.7
357.09637	0.7
359.18539	0.5
367.17538	0.5
371.11148	1.5
401.18079	2.1
413.45465	0.4
427.19843	1.9
443.19232	30.4
444.14120	0.4
444.19565	4.3
487.19604	0.8
487.25012	13.7
487.29971	1.2
488.25735	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	16.6
58.00601	1.1
59.01382	47.8
69.46335	0.9
69.46526	1.7
69.46941	8.0
71.01384	8.6
73.02959	13.1
75.83341	1.0
76.33022	1.3
83.01411	2.9
83.05025	1.7
85.02975	2.7
87.00916	1.0
89.02467	1.9
95.05011	1.1
97.06660	0.9
98.20580	2.0
100.15763	1.0
101.02456	9.9
113.02465	3.6
119.05044	1.1
121.06641	1.7
123.04551	1.3
123.08181	7.0
135.04559	9.0
135.08156	1.6
139.07730	1.7
143.03555	1.1
148.05348	1.9
151.07674	29.2
151.11354	1.3
160.09007	1.4
161.04633	2.3
161.09758	9.5
163.07675	20.4
164.08304	1.8
165.09247	7.6
173.09752	1.7
175.11325	1.3
177.09245	4.9
179.10797	13.2
187.07683	1.6
188.08463	10.2
193.12349	1.3
203.05502	1.3
203.10802	70.6
204.11142	5.9
221.11842	100.0
222.12207	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	487.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
58.02954	1.2
59.01372	9.2
61.98846	1.3
70.13892	4.6
71.01385	14.8
72.99310	2.8
73.02946	2.7
74.02468	2.8
75.00877	1.3
82.02966	2.0
83.14642	1.0
84.04555	3.0
85.02969	1.5
87.00883	4.0
88.04056	1.3
89.02457	5.2
91.08462	1.0
92.35294	0.9
96.00849	1.2
98.02481	2.2
99.00878	2.4
101.02454	36.6
101.07227	2.3
102.02706	1.1
102.05628	8.7
109.04084	4.2
111.00873	1.3
113.02444	1.4
115.00382	30.8
116.03542	1.3
124.00771	1.4
125.03563	2.6
125.41895	1.0
127.05150	17.1
128.03554	17.4
133.01450	82.0
134.01761	1.6
135.04578	1.3
144.03043	2.1
145.01450	81.6
145.06204	100.0
146.01750	2.5
146.04625	31.3
146.06512	4.4
146.15453	1.1
149.06116	1.5
151.03998	2.4
152.48538	0.9
163.04019	1.0
167.84122	1.1
175.02505	8.7
179.05579	1.3
195.02908	2.9
221.08214	1.5
295.10394	3.4
305.48233	0.9
311.03931	1.4
311.09738	1.0
341.10950	7.5
487.15439	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	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30160	0.8
57.03447	18.1
59.01380	60.5
61.98830	2.8
63.56672	1.0
69.03469	1.4
70.28779	1.2
70.49678	2.3
70.50080	2.2
71.01386	19.4
73.02952	19.3
79.78284	1.1
83.01392	4.6
83.05022	1.4
85.02950	5.5
87.00875	2.0
89.02457	4.6
89.30475	1.0
90.66289	0.9
95.01393	1.5
95.04996	1.2
99.00890	1.1
101.02448	16.2
103.97214	0.9
109.02991	1.3
113.02433	5.3
115.00331	1.6
119.03539	1.2
119.05084	1.1
121.06653	1.2
123.04555	2.4
123.08211	6.2
123.12235	0.9
125.02451	1.1
125.06047	1.3
128.03561	2.9
131.03499	1.2
133.01418	1.5
135.04535	7.0
135.08183	3.2
139.07683	1.9
143.03464	1.8
147.04535	1.2
148.05299	1.8
149.04674	1.3
149.06085	1.1
151.07680	25.5
152.07976	1.5
159.08191	1.6
160.08986	1.7
161.04570	3.7
161.09735	9.5
163.07660	21.2
164.08072	1.5
165.09213	8.2
168.07886	1.8
173.09698	1.7
175.11240	1.7
177.09196	6.2
179.05685	1.1
179.10796	15.3
180.11104	1.1
187.07541	1.9
188.08458	9.9
191.10768	1.9
193.12335	2.0
193.34598	1.0
203.10782	71.0
204.11107	5.8
221.11830	100.0
222.12169	10.4
233.27582	1.1
294.08997	1.1
328.56476	1.0
425.17981	1.2
487.24936	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	486.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.5
61.98836	27.9
70.74568	2.4
70.74918	6.8
75.64352	2.2
78.95913	9.3
90.67102	2.1
110.98550	6.4
134.94757	1.8
140.08519	2.1
167.01167	9.2
212.75841	1.9
229.61909	2.1
247.12056	2.0
255.23282	100.0
256.23682	10.2
392.65421	2.1
423.25168	54.7
424.25772	6.2
425.34201	2.4
487.34201	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	487.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61923	1.2
70.62305	1.3
71.01381	6.9
72.99316	1.2
82.14532	0.7
89.02458	1.0
102.05676	0.5
115.00388	25.3
116.00726	0.9
133.01448	100.0
134.01791	2.0
134.03777	1.3
135.04543	21.8
136.04883	0.8
145.01448	1.4
145.06186	1.6
146.04660	0.7
179.03505	24.5
180.03906	1.4
200.22946	0.5
225.58476	0.6
295.04636	4.6
365.98877	0.6
449.86380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.239
Annotation	Taxuyunnanine P
Peak:m/z	Relative Intensity
50.14316	0.4
52.03752	0.3
55.01879	0.9
57.03443	1.0
58.00607	0.7
59.01381	100.0
60.01719	1.4
61.98835	7.4
63.71703	0.3
64.04153	0.3
67.16428	0.3
68.00038	0.4
69.03468	1.1
71.01388	22.5
71.04990	0.4
72.01725	0.4
72.05099	0.3
72.99317	1.8
73.02950	18.1
74.88259	0.3
75.00877	0.7
81.03497	0.7
83.01396	6.4
83.05040	0.4
85.02961	3.5
87.00899	1.4
89.02460	5.3
95.01389	0.8
96.00929	0.8
96.96025	0.4
99.00914	1.1
100.56769	0.4
100.98816	1.2
101.02460	16.6
102.02815	0.5
113.02464	5.7
115.00414	1.1
116.92924	0.5
117.02004	0.5
119.03529	1.6
121.02954	0.6
125.02486	0.9
127.05152	0.5
131.03539	1.2
135.04562	0.4
143.03522	0.8
149.04596	0.5
154.99786	0.5
155.03517	0.6
161.04617	1.6
162.06889	1.2
165.10374	0.4
166.08740	0.5
171.10263	0.8
175.02475	1.0
177.09296	0.8
180.99091	0.4
201.16490	0.6
201.71144	0.4
203.03568	1.1
219.14006	0.4
221.06644	0.5
229.66562	0.4
241.27429	0.4
263.16504	12.1
264.16879	1.1
265.18240	0.7
287.14029	1.0
341.06635	0.4
349.20184	0.6
359.91263	0.4
393.84329	0.3
425.21918	2.7
425.26740	0.4
426.22198	0.8
443.22815	4.5
450.25854	1.0
467.22772	5.0
467.28979	1.5
468.23154	0.8
485.23907	95.5
486.24197	16.5
486.31354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98460	0.4
57.03443	3.8
59.01381	91.3
60.01719	1.0
60.10749	0.6
61.98831	6.9
69.03458	0.8
71.01385	7.3
71.73396	0.8
72.99315	0.9
73.02951	4.5
74.02481	0.5
75.00874	0.6
83.01383	2.4
83.05050	1.5
85.02959	2.4
87.00883	1.7
89.02454	2.5
93.03476	0.6
96.00915	0.5
96.96027	0.5
98.02480	0.5
99.00923	0.7
99.04563	0.7
99.92633	0.7
101.02441	5.4
106.56004	0.5
109.02958	0.9
109.06613	0.4
113.02468	2.7
115.00402	2.5
115.04095	0.5
115.67145	0.4
115.92113	1.2
119.03490	0.8
119.08661	0.6
121.06622	1.3
123.08168	1.3
125.02453	1.2
125.06081	0.8
125.71712	0.5
128.03595	1.1
130.08754	1.9
130.12483	0.4
131.03532	0.6
133.01488	2.5
135.04552	1.7
135.08160	0.8
137.09750	0.9
139.03986	0.9
143.03569	0.6
145.06262	0.5
149.06090	1.3
149.09708	0.5
151.00412	1.4
151.07664	2.0
151.11308	1.5
154.99834	0.5
155.03465	0.9
160.08887	0.5
161.04532	1.3
161.09744	6.0
162.02399	0.7
163.07640	1.8
164.08453	0.5
165.09286	3.3
165.85182	0.5
175.02458	1.6
175.11298	1.3
177.09221	0.7
177.12875	1.4
178.06403	1.4
178.09961	0.6
179.03572	1.1
179.05559	1.0
179.10788	11.9
187.07652	0.8
188.08380	0.5
191.07137	1.4
193.12329	4.6
203.05559	0.5
203.10794	19.0
204.07898	0.5
204.11131	2.0
205.08719	1.0
206.09488	7.6
207.09953	0.5
208.09860	0.5
219.10243	3.2
221.11830	100.0
222.12169	7.4
277.66360	0.5
281.13480	0.6
287.05576	1.0
363.22739	0.5
366.25952	0.5
413.22974	0.6
441.17407	2.7
449.10641	1.1
485.29428	1.5
486.26340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23895	0.5
52.47668	0.5
56.72374	0.4
57.03437	0.6
58.00581	0.9
58.74689	0.4
59.01381	33.7
69.03474	0.6
69.73520	3.7
69.98808	0.5
71.01386	15.4
73.02952	30.3
74.03259	0.6
75.00883	0.6
83.01395	5.8
83.05042	4.0
85.02969	1.4
89.02452	3.4
91.05551	1.6
93.07124	3.3
99.00880	0.5
101.02456	16.3
102.02781	0.6
113.02476	3.8
119.03542	1.2
119.05044	1.6
123.08176	0.5
130.08759	0.7
131.03539	1.3
133.10263	5.1
143.03496	0.5
144.05865	0.9
145.06598	5.9
150.55739	0.4
157.10286	2.3
158.07434	1.2
159.08203	5.8
160.08955	47.2
161.04581	1.7
161.09265	3.3
173.09723	8.3
173.36087	0.5
174.09998	0.6
175.11299	82.4
176.11624	8.1
208.83722	0.5
219.10265	100.0
220.10606	8.4
236.06328	0.5
399.16595	11.9
400.16916	1.6
408.03217	0.5
441.17661	53.3
442.18005	8.5
494.71048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08256	0.8
59.01379	100.0
60.01704	1.2
61.98815	0.9
70.59467	1.1
70.59814	2.8
107.90887	0.9
127.65393	0.8
129.08809	0.8
143.56871	0.8
158.12228	0.8
220.53836	1.0
248.00250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11064	0.7
53.44391	0.8
55.01878	0.8
55.94590	0.7
57.03456	0.8
57.17769	0.8
59.01383	47.6
70.23022	3.4
71.01390	23.3
73.02955	37.9
73.03391	1.1
74.03248	0.8
83.01393	8.0
83.05022	3.7
84.30249	0.7
85.02956	2.3
89.02481	5.8
91.05566	0.8
93.07103	2.4
97.02979	0.9
101.02458	22.4
113.02483	6.6
119.03509	1.8
119.05029	1.9
122.66115	1.0
125.02455	1.2
131.03519	2.0
133.10257	4.6
141.58792	0.7
143.03510	1.2
144.05757	0.7
145.06651	6.4
147.01111	0.7
149.04535	0.8
157.10228	3.2
159.08194	5.3
160.08958	42.9
161.04558	2.4
161.09303	2.9
169.42906	0.7
173.09737	7.7
175.11305	78.8
176.11636	6.6
208.91701	0.9
219.10266	100.0
220.10617	8.4
280.11627	0.8
285.14487	0.7
313.85266	0.8
399.16595	18.2
400.17175	1.7
441.17691	34.9
442.18164	4.7
474.46698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07849	1.1
54.85353	1.2
55.01875	1.3
59.01381	55.1
61.98831	2.3
62.11806	1.1
69.03448	1.4
69.99438	7.7
71.01388	28.7
71.99108	1.3
72.99312	2.4
73.02953	48.3
77.29776	1.2
77.95161	1.2
83.01384	10.5
83.05056	3.8
85.02969	3.0
89.02459	5.3
93.07128	3.2
95.01398	1.7
99.00917	1.3
101.02456	23.9
113.02464	5.4
119.03564	1.6
119.05056	1.5
125.02413	2.0
127.84305	1.2
128.03540	2.1
131.03517	1.5
133.01543	1.3
133.10265	5.2
139.77931	1.1
144.05740	1.2
145.06628	5.7
157.10248	2.8
159.08083	6.1
160.08957	43.4
161.04625	2.6
161.09315	3.0
173.09763	7.9
175.11307	81.1
176.11636	7.3
193.05103	2.1
216.38213	1.1
219.10272	100.0
220.10645	8.5
277.05609	1.3
296.39929	1.2
398.88678	1.5
399.16647	19.5
400.16959	2.1
441.17664	53.9
442.17938	10.3
485.29520	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12794	1.3
55.01866	3.7
57.03450	6.6
58.00602	2.9
59.01379	77.2
61.98829	17.7
66.47299	1.4
71.00986	2.8
71.01385	59.5
71.20979	3.1
72.99310	5.8
73.02949	24.3
74.02457	1.5
75.00883	1.5
78.95902	5.9
83.01394	14.6
84.58208	1.3
85.02959	27.4
87.00885	8.0
89.02448	10.1
95.01415	3.2
96.01785	1.4
96.96016	2.2
97.02933	2.8
99.00876	10.0
99.04524	1.5
101.01785	2.6
101.02458	54.5
106.06683	1.8
111.00887	2.7
113.02467	27.2
115.00388	5.9
119.03526	2.7
122.06113	2.4
123.58756	1.3
125.02494	2.4
126.23483	1.4
128.03525	3.8
129.01929	2.4
130.08746	3.5
131.03514	2.9
133.01439	4.7
135.03047	2.2
135.04518	2.5
143.03520	3.5
152.99615	6.0
159.03027	3.7
160.14751	1.5
161.04584	18.2
175.02501	4.4
179.05656	1.5
217.15939	4.7
289.53107	1.3
291.18134	100.0
292.18527	8.2
407.16736	1.5
423.22366	79.3
424.22684	9.6
465.27557	1.8
480.48190	1.5
483.21985	11.3
483.33075	3.6
484.22226	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	483.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	10.9
59.01377	23.6
60.96888	0.7
61.98831	95.7
64.90041	0.7
69.03465	0.8
69.65947	5.0
69.66354	1.3
71.01379	5.8
72.00921	2.7
73.02950	2.2
73.04066	6.3
74.02502	1.6
82.06644	0.8
83.01363	0.9
85.02988	1.4
87.00873	2.9
89.02458	1.8
91.05561	2.7
96.96062	1.0
98.02487	4.0
101.02455	2.5
108.08194	2.2
113.02457	1.7
115.00398	1.5
115.05148	4.9
116.03559	1.7
122.06120	2.7
126.09296	1.0
129.10368	10.4
130.08752	1.9
133.01411	1.2
139.08812	1.1
141.10368	2.7
143.11931	1.4
147.04546	17.3
148.42915	0.8
151.07657	1.1
151.08772	1.9
152.07185	10.8
155.08252	2.1
161.04594	0.9
164.07185	46.4
165.07520	2.2
168.11438	13.5
169.09926	1.0
173.46017	0.8
175.02481	3.1
185.12941	1.1
186.12492	35.1
187.12848	1.7
196.09808	0.8
210.12483	28.1
211.10876	1.9
219.13928	3.1
221.42896	0.9
228.13544	5.5
233.16589	8.7
242.11687	1.3
255.13577	0.9
259.14435	1.0
259.65866	0.9
270.13412	0.8
277.15494	6.2
281.15375	0.8
283.10776	1.1
290.18774	15.3
291.37088	0.9
332.19751	3.7
333.20386	0.9
376.18771	99.0
377.19150	11.4
402.20334	1.2
405.48212	0.8
420.21396	100.0
421.15845	1.6
421.21661	16.8
447.26392	1.7
483.22504	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50332	2.4
78.95909	41.6
96.96976	3.5
122.39093	0.6
152.99611	57.2
153.71062	0.6
154.00027	0.7
171.00673	17.6
171.56499	0.7
227.03249	4.6
245.04308	100.0
246.04663	4.8
253.21725	62.7
254.22046	6.2
408.01569	0.8
481.25720	56.9
482.25970	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	483.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08928	0.3
59.01381	100.0
60.01716	1.3
61.98853	1.7
70.78099	1.0
71.01381	2.8
71.01693	0.3
77.43193	0.3
89.02487	0.4
96.95998	0.5
101.02487	0.5
113.02545	0.4
115.54896	0.3
121.03058	0.6
291.08755	0.7
381.12042	1.0
408.69952	0.3
423.12732	0.4
432.85461	0.3
461.16861	0.3
483.25348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2126
Annotation	Paraensidimerin A
Peak:m/z	Relative Intensity
55.01861	0.6
57.03430	0.7
59.01387	7.0
61.98834	4.3
69.40862	5.7
71.01395	7.2
71.02509	5.7
72.99298	1.0
73.02959	1.2
73.04083	8.0
74.02477	0.8
78.95916	8.8
79.07237	0.5
83.01386	1.8
85.02953	2.0
86.06259	0.5
87.00884	0.9
87.05625	2.1
88.98861	0.4
89.02452	1.9
90.11437	0.6
93.03454	0.9
96.00938	0.7
96.96971	2.8
97.04092	1.9
98.02502	0.7
99.05619	0.8
100.04044	1.6
101.02471	3.2
106.04259	0.8
107.05058	4.6
108.02186	0.6
110.02468	0.6
111.00899	0.9
112.98833	0.9
113.02432	1.3
113.03582	0.9
114.05592	0.5
115.00361	1.7
115.08702	0.7
116.07193	1.0
119.03548	0.7
119.05029	6.1
124.04103	0.6
124.05071	0.6
125.03580	2.0
126.05580	1.0
126.06690	0.5
127.05170	2.6
128.03564	0.9
130.08676	0.7
133.01442	1.9
134.03647	0.7
134.06140	1.0
135.04567	1.0
138.09288	0.5
139.08826	0.9
141.09328	0.8
141.10342	3.5
142.06200	0.7
143.11902	1.2
144.07796	4.0
145.05026	0.6
148.04408	33.2
149.04730	1.0
151.08766	0.8
152.07167	1.4
155.11942	4.1
161.04573	0.6
161.07536	1.3
162.05659	2.6
163.04039	2.4
165.10323	0.9
169.09917	2.8
179.03439	0.5
179.08281	13.6
181.09837	1.1
184.10974	0.6
186.04672	1.8
199.10884	2.3
200.14095	1.0
203.12283	6.4
226.15617	5.8
229.10132	1.8
232.11160	0.9
233.09410	1.0
247.11224	2.0
250.11954	4.6
274.15936	20.8
275.16226	1.9
283.17850	1.2
301.20117	1.8
319.21317	1.1
325.84219	0.6
331.18152	6.5
332.16248	2.2
349.18600	0.7
359.07358	0.6
432.16220	0.7
437.22079	1.6
441.16510	2.8
441.66901	1.1
449.68094	1.7
463.25653	2.6
465.24878	0.6
481.21130	100.0
481.26797	13.2
482.21503	16.1
482.27280	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	480.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
60.30883	0.2
60.31190	0.1
61.98832	100.0
62.98549	0.2
71.01392	1.3
71.72058	0.2
73.02958	0.5
74.02483	0.2
74.55367	0.2
83.01411	0.4
85.03002	0.4
87.00900	0.3
88.98865	0.2
89.02470	0.5
96.16963	0.1
98.02516	0.2
101.02456	0.5
112.98825	0.4
113.02464	0.5
115.00401	0.4
115.92089	0.2
115.97412	0.2
116.92895	0.2
131.03577	0.2
133.01485	0.5
135.04623	0.2
154.99916	0.4
159.53314	0.2
164.07152	0.3
164.25362	0.2
177.99771	0.2
222.45387	0.2
277.96362	0.2
297.75131	0.2
328.30109	0.2
356.10147	0.2
437.16772	0.2
445.18115	0.3
480.26520	1.1
481.26694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3098
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
51.85717	0.3
61.98833	6.6
71.38417	0.3
77.87324	0.4
78.95913	17.9
93.95308	0.3
108.16651	0.4
122.00146	1.1
139.32295	0.4
140.01190	5.4
152.99602	3.2
183.61082	0.4
196.03819	9.8
202.91794	0.4
214.04860	2.0
218.14922	0.4
245.04335	1.0
253.21658	0.5
255.23291	1.2
283.26428	100.0
284.26764	10.5
300.56866	0.4
318.76343	0.4
409.23767	0.5
480.30960	39.4
481.25555	0.6
481.31393	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	479.265
Annotation	Clerodinin C
Peak:m/z	Relative Intensity
58.00602	0.7
59.01378	100.0
60.01723	1.4
61.98846	3.3
69.03445	0.6
71.01382	18.2
71.74153	0.8
72.99326	0.9
73.02946	9.1
78.95892	0.8
80.48863	0.4
83.01386	2.9
85.02956	4.0
87.00908	0.7
89.02454	9.7
95.01411	1.2
99.00905	1.2
101.02458	13.9
113.02463	8.2
119.03497	3.6
129.86664	0.5
131.03542	1.1
133.01418	0.4
140.39668	0.5
143.03532	1.5
149.04605	1.1
155.34993	0.5
161.04579	2.9
179.05711	2.0
203.26126	0.5
213.68810	0.4
217.74649	0.5
275.20236	0.7
419.24765	2.2
437.25693	2.3
479.26239	3.2
480.26535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08556	0.7
53.58483	0.6
59.01133	0.9
59.01385	9.9
61.98830	11.2
69.39310	7.7
71.01388	30.5
71.02495	6.1
72.99331	0.9
73.02952	1.0
73.04072	9.5
83.01363	1.1
85.02955	1.7
85.04043	1.0
87.00861	1.1
88.04049	24.0
89.02426	0.9
98.02468	0.8
98.19888	1.2
99.01996	1.2
99.92599	0.7
101.02427	2.0
103.05129	4.1
109.02876	0.8
110.03620	1.2
110.06086	0.9
111.02023	1.0
112.07649	1.9
113.02443	1.3
114.01956	1.0
115.00386	41.1
115.92066	1.1
116.05094	4.7
116.92879	6.7
129.09413	1.1
129.10355	19.5
130.10727	0.8
132.02092	1.2
132.03049	24.8
133.01450	1.8
134.89594	0.6
135.04514	0.8
138.58830	0.7
139.08727	1.0
140.07141	1.5
141.10327	1.8
146.06113	7.6
147.04492	2.2
151.08742	3.9
153.10347	0.7
154.99846	1.1
156.08040	0.7
163.08781	1.7
164.07179	9.9
167.05768	6.8
167.10597	2.9
168.11414	4.4
169.09818	4.6
169.26837	0.7
173.07115	1.4
174.09177	1.2
179.05597	1.5
181.09834	1.6
186.12483	52.7
187.12706	2.1
198.07860	1.0
198.12419	2.6
199.10887	1.4
200.07156	1.3
214.02583	0.8
218.08191	1.0
222.19302	0.8
224.12755	6.9
233.16519	2.1
235.10812	2.2
241.13477	5.4
242.11746	3.4
242.13904	1.2
258.16129	4.6
261.08853	1.0
270.01666	0.9
271.02362	2.1
276.17001	2.6
284.17456	0.7
290.18533	2.1
299.01736	1.8
315.18262	23.5
316.02121	1.5
316.18515	3.5
317.02682	1.1
317.10965	0.7
319.11041	0.8
327.18158	1.6
333.19299	19.4
334.17902	1.3
345.19418	3.5
346.18213	0.8
363.20380	30.2
364.18683	49.3
365.19113	6.0
405.21555	4.0
417.20837	1.1
435.22531	7.1
436.22330	0.8
461.20200	3.4
479.07925	5.9
479.21255	100.0
480.10132	0.8
480.21591	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.5
57.03458	0.6
59.01382	34.4
59.33319	0.5
61.98832	31.6
70.30122	1.1
70.30546	1.9
71.01387	8.0
72.99323	0.7
73.02943	3.3
83.01405	8.8
85.02963	2.6
87.00893	2.1
89.02462	2.0
91.19610	0.7
96.96071	0.6
99.00903	1.2
101.02463	3.6
106.06640	0.7
106.54138	0.6
109.02927	0.8
111.00903	1.4
112.98843	1.9
113.02465	2.5
115.00398	2.0
117.01902	1.2
120.01255	0.8
122.06138	0.9
127.00414	1.5
129.01974	1.5
133.01465	1.7
134.06145	0.8
135.04559	1.3
142.99895	1.0
145.01370	0.6
152.99701	0.6
154.99887	100.0
156.00186	4.1
161.04610	1.4
179.03528	0.8
207.13979	0.8
209.11754	0.8
225.14983	1.1
227.12888	5.1
255.11555	0.6
269.13904	0.7
287.14993	18.8
288.15311	1.9
317.11456	1.5
317.19730	0.9
361.18552	2.8
363.13614	1.7
419.26541	3.8
435.22412	1.4
436.18671	1.0
437.27676	1.3
443.15820	2.5
461.24167	0.6
479.16080	0.7
479.25162	7.2
480.18350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	14.6
57.48847	0.5
59.01378	19.1
59.37990	0.5
61.98824	3.1
71.01384	3.6
73.02953	2.6
83.01396	7.9
85.02943	1.3
87.00890	2.0
88.98795	0.6
89.02477	0.9
97.58109	0.4
99.00914	0.8
101.02463	1.1
111.00888	1.2
112.98814	1.3
115.00345	0.6
117.01939	1.3
120.01247	0.9
127.00361	1.5
129.01967	0.7
133.01443	0.5
135.04594	0.7
142.99892	0.6
154.99881	100.0
156.00221	3.8
180.34235	0.5
182.80231	0.5
209.11893	0.9
209.57498	0.5
225.14908	1.1
227.12840	5.4
269.13892	1.1
273.12589	0.5
287.14990	16.8
288.15436	1.2
317.19617	0.8
322.30304	0.6
345.46567	0.6
419.26794	1.2
435.22330	1.5
443.15326	2.3
464.52142	0.5
479.24640	1.2
490.93994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17684	0.5
55.01883	14.6
57.03442	1.2
59.01382	50.7
60.01706	0.6
60.99285	0.6
61.98833	33.3
70.57047	0.6
71.01389	13.2
71.73349	1.0
72.99312	1.4
73.02954	5.8
74.02480	2.3
75.00892	1.0
77.11278	0.6
77.43596	0.5
83.01385	8.4
85.02955	5.1
87.00875	4.0
88.98804	1.2
89.02460	2.6
95.01377	0.8
97.02950	0.9
99.00890	1.7
101.02452	6.7
106.24033	0.6
109.02912	0.7
111.00885	1.4
112.98821	2.6
113.02447	5.0
115.00391	3.5
117.01948	1.1
119.03539	0.9
119.05055	0.7
120.01257	1.7
120.99744	0.8
125.02474	0.9
127.00396	2.2
128.03577	0.9
129.01958	1.7
133.01436	2.2
134.03763	1.1
135.04526	2.0
142.99854	0.9
143.03535	1.3
145.01509	0.6
147.33093	0.5
154.99884	100.0
156.00224	4.0
161.04581	1.8
175.02574	1.6
193.04936	1.1
207.13873	0.7
209.11761	0.6
225.14888	0.8
227.12901	6.1
243.02974	0.7
244.03291	1.0
245.03410	0.7
269.13995	1.6
271.02310	0.9
272.02792	0.9
273.02957	0.7
287.14984	17.8
288.15366	1.4
299.10272	1.3
299.18835	0.8
314.04388	1.1
316.05087	1.4
317.19638	1.8
325.90994	0.6
361.18671	2.2
419.26675	8.8
420.26929	1.3
435.22391	1.5
437.27643	2.6
443.15555	2.5
479.10947	5.4
479.24869	11.7
480.18158	0.8
480.25110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0831
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
56.35926	0.2
59.01086	0.3
59.01378	4.5
61.98832	6.9
63.02396	0.5
65.00313	1.0
67.57014	0.2
71.01381	2.6
72.99322	0.6
73.02951	0.7
77.04128	0.2
83.01388	1.0
85.02951	0.9
87.00885	0.6
88.98793	0.6
89.02443	1.0
95.01435	0.4
99.00840	0.3
101.02473	1.3
107.01401	2.3
109.02974	1.0
113.02483	0.6
115.00372	1.0
118.58514	0.3
119.03481	0.4
119.05043	0.3
120.99686	0.3
123.00853	0.2
124.01691	2.7
125.02431	0.9
130.08754	0.4
133.01434	1.1
135.00963	0.4
136.01691	0.8
137.02446	2.0
138.05618	0.3
148.01738	0.3
151.00388	8.2
152.01237	1.4
161.02483	0.4
163.00340	1.5
164.01170	2.8
165.01964	0.6
169.01414	0.7
175.02477	1.1
177.01855	0.3
178.99876	8.7
180.00233	0.4
185.02338	0.3
187.04033	0.5
188.04793	0.3
189.01909	0.4
189.73506	0.3
190.99907	0.4
192.00647	0.8
193.01292	0.5
199.03981	0.6
203.03540	0.8
204.04250	0.5
214.02715	6.2
215.03287	1.0
227.03539	1.4
231.02869	0.4
232.03824	0.4
242.02197	5.2
243.02956	3.9
255.11476	0.5
259.02444	6.4
260.02716	0.7
270.01672	6.8
271.02454	40.8
272.02777	3.7
287.01971	22.7
288.02469	3.2
299.01978	2.6
299.18649	0.6
315.01498	0.6
316.02240	100.0
317.02859	24.9
317.19696	0.4
318.03439	1.5
353.05243	0.4
363.10706	0.7
379.15356	0.3
461.24222	0.5
465.26675	0.3
479.08292	85.4
479.24725	7.8
480.08664	12.6
480.25275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54213	0.4
59.01387	0.8
61.98837	0.8
62.39561	0.4
69.68372	2.1
69.68775	0.9
71.01385	1.1
73.36495	0.4
83.64068	0.4
92.05084	1.9
94.03020	0.6
96.96014	5.2
98.20595	0.9
104.07189	0.4
108.04573	27.2
109.04916	0.9
110.06139	0.6
115.00379	1.9
120.04575	3.2
122.02498	0.6
123.03304	0.6
128.03510	0.7
133.01448	5.1
135.04532	1.3
138.05629	73.2
139.05972	2.4
179.03485	1.4
182.04599	100.0
183.04942	5.1
231.98671	0.4
269.72656	0.4
295.04706	0.5
320.57492	0.4
452.23544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.4
61.98830	1.1
69.42805	0.5
69.43211	3.2
77.69907	0.3
78.95911	100.0
87.72533	0.4
96.96972	7.2
107.41550	0.4
122.00134	0.5
123.80650	0.3
140.01213	3.4
152.99608	18.0
168.61443	0.3
171.00667	18.9
196.03824	6.5
214.04855	1.9
222.73654	0.3
251.20169	1.1
281.24863	66.1
282.25214	7.1
404.25732	1.3
478.29404	76.9
479.29776	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81241	0.1
54.94865	0.1
61.98810	0.4
63.00013	0.1
63.07840	0.1
67.46937	0.1
70.23347	0.2
70.23769	0.5
78.95908	8.2
82.77556	0.1
96.96963	0.5
122.00137	0.3
131.10977	0.1
131.88962	0.2
132.74597	0.1
140.01213	1.9
152.99608	1.1
171.00684	0.8
196.03793	1.2
198.99063	0.1
214.04868	3.2
250.94083	0.1
251.20128	0.3
281.24847	100.0
282.21899	0.1
282.25201	11.1
478.29413	14.8
479.29715	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	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.24363	0.2
55.64989	0.1
59.01355	0.5
60.36697	0.2
66.94043	0.2
71.14827	0.4
71.15179	0.2
78.95908	8.5
89.97926	0.2
94.06506	0.2
96.96983	0.2
117.28338	0.2
128.33231	0.2
140.01201	2.0
152.99620	1.5
171.00655	1.1
196.03862	1.2
213.20291	0.2
214.04837	3.2
261.22217	0.3
279.23282	100.0
280.23624	11.4
335.30328	0.2
476.27844	13.7
477.28098	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77110	0.3
60.05211	0.4
61.09729	0.3
62.22349	0.4
62.96427	0.4
67.47382	0.4
71.16383	0.5
71.16730	0.8
71.32768	0.4
78.95910	53.6
93.67896	0.4
96.96983	3.4
122.00164	0.6
140.01199	5.6
152.99620	8.2
171.00655	7.3
171.02101	0.5
196.03813	9.4
214.04886	2.7
225.44447	0.4
225.58131	0.4
261.22260	0.5
267.68845	0.4
279.23288	100.0
280.23642	13.1
402.24295	0.5
476.27817	58.9
477.28152	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	477.1042
Annotation	Nepetin 4'-glucoside
Peak:m/z	Relative Intensity
55.01853	0.5
59.01382	12.4
60.01712	0.4
61.98835	12.6
65.00321	0.6
69.77381	1.6
69.77800	0.5
71.01388	3.8
71.82252	0.3
72.99321	0.4
73.02946	3.9
73.04055	0.2
74.02463	0.6
78.95905	0.3
83.01392	0.9
84.49574	0.3
85.02965	1.7
87.00878	1.1
89.02452	1.0
90.26329	0.3
98.20651	0.3
99.00883	0.3
101.02465	2.0
104.03535	0.4
107.01392	0.8
111.00891	0.3
113.02443	1.5
115.00365	1.2
119.03529	0.4
120.01247	0.5
122.06197	0.3
125.02471	1.0
127.42297	0.2
128.03494	0.4
129.10326	0.3
130.08751	0.4
133.01418	0.6
135.00868	0.3
135.03006	0.3
135.04500	0.5
143.03600	0.4
147.04510	0.7
151.00388	2.8
152.11461	0.3
153.02013	0.4
154.99869	2.3
161.04578	0.6
164.07133	0.3
169.01460	0.4
171.04527	1.0
175.02441	0.9
175.04030	0.5
178.99928	0.6
179.03528	0.3
187.03995	0.4
197.02472	0.5
199.04028	3.6
201.01924	1.6
203.03465	0.6
215.03491	3.4
216.04062	0.3
226.02757	0.4
227.03484	3.2
227.11896	0.4
229.01509	1.0
229.12355	0.5
239.70659	0.3
241.99774	0.3
242.02242	8.5
243.02975	38.3
244.03378	2.5
255.02963	0.9
255.16017	0.7
257.04553	11.0
258.04938	1.2
270.01666	10.3
271.02460	39.4
272.02844	3.1
272.92572	0.3
273.11542	0.3
278.02924	0.3
285.04044	21.9
286.04745	7.4
287.05313	0.5
298.98602	0.4
299.01990	8.6
299.05069	0.3
300.02734	5.6
301.03192	0.4
313.03741	0.3
314.04327	47.5
315.04984	13.8
315.08801	0.6
316.05438	1.0
319.76019	0.3
328.05719	0.6
355.18423	0.3
357.06107	1.0
361.09415	0.7
415.19800	0.8
417.25366	0.5
433.20587	0.9
477.10394	100.0
477.23495	6.0
478.10748	15.0
478.17755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89265	0.4
59.01376	5.5
59.79131	0.5
61.98828	2.1
68.08948	0.5
70.47157	1.7
70.47518	0.6
71.01385	5.4
72.99308	2.9
75.00879	27.1
76.01202	0.5
87.00885	1.5
89.02456	7.1
96.96976	0.8
101.02460	1.2
110.20386	0.4
113.02470	0.8
115.00389	6.1
116.00718	1.1
117.00810	1.3
117.01942	2.1
119.03512	1.4
133.01462	11.5
134.01761	3.2
135.03015	100.0
135.92128	1.0
136.03331	2.4
178.78348	0.5
179.05647	1.1
341.10931	8.0
348.95377	0.5
369.56369	0.5
436.79340	0.5
460.60547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52582	0.6
55.01865	0.9
57.03452	2.5
57.80746	0.6
58.00567	0.6
59.01380	100.0
60.01722	2.0
61.98830	19.6
62.24418	0.6
65.00335	2.6
71.01387	18.1
71.72491	1.1
72.01747	0.8
72.99309	1.4
73.02954	6.2
73.04108	0.6
74.02480	1.4
75.00880	1.7
76.23625	0.7
79.12313	0.6
83.00983	0.8
83.01379	4.0
83.05083	0.8
85.02962	8.3
87.00892	2.5
88.98823	1.2
89.02456	4.6
93.01051	0.6
93.03456	0.9
95.01423	1.7
96.96075	0.8
97.02966	0.7
99.00928	2.0
101.02454	9.9
111.00938	1.8
111.08169	1.2
113.02462	8.4
114.02787	0.9
115.00401	3.8
116.05040	0.7
119.03524	2.4
119.05051	1.5
120.01252	3.0
122.06150	2.8
123.08182	1.5
125.02472	1.5
125.09726	1.7
127.05119	0.9
128.03528	1.1
129.01933	1.0
129.10362	0.7
130.08765	1.7
133.01433	3.3
133.03004	2.5
134.03792	1.2
135.03072	0.7
135.04567	2.0
136.98808	4.4
137.60397	0.6
143.03598	0.7
148.04100	2.1
150.05666	0.8
151.00365	1.6
152.00740	0.8
153.09282	0.8
154.99884	1.0
161.04578	3.8
163.00423	1.5
168.06699	0.9
175.02467	2.8
179.03549	0.8
186.12585	0.6
187.13338	1.2
199.03998	2.8
200.04753	1.1
201.01988	1.3
216.04276	1.4
227.03580	1.3
228.04283	1.9
229.18082	2.5
230.11815	0.8
240.16130	0.6
243.03003	2.3
244.03677	0.9
255.02888	1.5
256.03644	1.7
271.02539	3.6
271.05884	1.1
272.03192	1.7
273.06750	2.3
273.12424	13.1
274.12793	1.5
299.01987	7.1
300.02762	38.9
300.99985	1.4
301.03171	4.6
313.23993	0.7
314.04330	9.4
315.05099	95.9
315.18170	1.7
316.05438	11.6
329.15369	0.6
331.24750	0.7
333.26468	3.5
358.17462	0.9
373.22330	12.2
374.22668	1.1
391.23337	7.7
415.19650	1.6
417.16312	1.0
417.24976	7.4
418.25189	0.9
433.20175	1.4
435.26111	1.0
447.26105	1.0
477.10388	25.6
477.23596	8.7
477.30658	8.0
478.10709	3.7
478.22513	1.1
478.31506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03442	0.5
59.01380	100.0
60.01707	1.6
60.99314	0.5
61.01805	0.5
61.98832	13.5
70.74194	0.5
70.74538	0.3
71.00990	0.4
71.01386	8.4
71.05026	0.4
72.99328	0.8
73.02961	2.8
74.02494	0.3
75.00845	0.3
78.95922	0.3
83.01395	1.5
85.02950	2.5
87.00890	1.7
87.04507	0.3
88.98820	2.8
89.02456	2.6
93.03481	0.4
95.01429	0.5
95.05051	0.3
96.96022	0.3
96.96975	0.3
99.00917	0.6
99.04559	0.8
101.02460	3.4
109.03000	0.3
111.00909	0.6
113.02467	3.2
115.00394	3.2
119.03522	1.5
119.05083	1.0
120.01305	0.8
122.06065	0.2
123.08148	0.4
125.02500	0.7
126.59219	0.2
127.05183	0.3
128.03619	0.3
129.10408	0.3
130.08789	0.6
131.03560	0.6
133.01457	4.2
134.03824	0.3
135.01892	0.3
135.03009	0.4
135.04549	4.1
135.98447	0.2
143.03572	0.5
143.04654	0.2
147.04538	0.3
151.04079	0.2
154.99884	5.3
155.10841	0.6
156.00221	0.3
157.01512	0.4
159.03090	0.2
161.02477	0.3
161.04567	1.1
163.03973	0.4
164.07140	0.4
175.02554	0.9
179.03516	2.9
179.05658	0.8
180.03812	0.2
195.06735	0.2
197.09846	0.3
199.09920	0.3
221.24005	0.2
227.12921	0.4
269.11838	0.3
269.17902	0.3
271.09808	0.3
271.15689	0.3
272.08951	0.3
287.15262	0.4
300.02902	0.3
313.16733	0.4
315.08859	0.8
347.99075	0.3
359.07877	0.9
373.22623	0.3
413.28003	0.5
415.23529	3.1
416.23914	0.5
431.29874	0.3
433.25168	1.1
475.15286	0.6
475.22763	1.6
475.30017	2.6
476.22394	0.3
476.29370	0.6
478.76672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82127	0.4
55.01889	0.6
57.03425	0.7
59.01382	30.0
60.99308	13.9
61.98837	2.7
67.69275	0.4
69.40323	5.3
71.01388	16.6
72.99323	1.1
73.02962	6.5
83.01389	1.8
85.02959	3.9
87.00890	1.3
88.04042	0.5
88.98817	100.0
89.02452	16.8
89.99164	1.1
93.03476	0.5
95.01427	0.7
98.20573	0.9
99.00882	1.1
101.02456	8.1
109.02957	1.4
113.02469	4.2
115.00391	13.6
116.00786	0.5
116.23271	0.4
117.00787	0.4
117.03453	0.5
117.11047	0.5
119.03518	1.9
119.05039	1.7
119.99865	0.4
120.05346	0.7
121.02985	0.8
123.04538	1.7
125.02506	0.5
131.03543	2.5
133.01453	25.0
134.01770	1.0
134.03737	1.7
135.03027	1.1
135.04552	13.3
143.03459	1.0
147.04498	0.6
148.05293	0.5
149.04561	6.9
149.06094	2.4
150.06473	0.5
154.99870	0.9
161.04588	2.6
161.05971	0.9
161.36809	0.4
165.01884	0.4
175.02612	0.9
175.04033	2.8
179.03502	8.1
179.05571	1.0
180.03871	0.6
191.05640	1.5
193.05083	0.5
209.08389	0.4
231.98030	0.5
253.08633	0.8
253.14490	0.5
271.09763	2.4
283.11865	3.4
297.07730	3.3
315.08664	4.8
315.11465	0.6
341.06906	2.2
357.09894	0.9
358.10031	1.2
359.07693	5.0
359.10925	2.5
360.07654	0.8
415.10968	0.8
415.16074	6.7
415.23407	1.4
416.16364	0.6
431.19205	1.3
475.22171	6.1
475.27933	0.7
476.22281	0.7
504.40729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85706	0.9
55.01871	2.9
56.42424	1.0
57.03440	3.1
58.00579	1.2
59.01379	100.0
60.01704	2.1
61.98829	14.1
69.03460	1.1
69.44728	6.6
69.45146	2.9
71.01386	43.3
71.05000	1.1
71.80956	0.9
72.99310	3.9
73.02953	32.4
74.02472	11.4
74.97903	0.9
75.00890	1.7
81.03457	1.0
83.01389	8.7
85.02958	6.4
87.00882	5.5
87.04543	2.9
89.02444	11.5
95.01409	1.6
97.06615	1.2
98.20709	1.3
99.00896	1.8
99.04516	1.4
101.02460	24.0
109.06610	19.4
112.21275	1.1
113.02458	13.4
115.00391	32.8
115.04043	1.0
116.00700	1.9
116.44577	0.8
117.00854	1.1
117.03458	4.5
119.03507	3.8
120.01234	0.9
123.04544	1.3
124.24775	1.0
125.02409	1.7
125.09765	1.2
127.05216	1.4
129.01907	1.1
131.03528	2.3
133.01450	52.3
134.01808	1.9
134.03714	2.7
135.01807	2.1
135.04544	63.9
135.98296	0.9
136.04877	3.0
143.03532	2.6
147.11818	5.9
149.04512	1.4
149.06099	1.5
149.09799	1.4
153.09271	1.0
154.99881	12.0
156.13864	0.9
159.04593	1.4
161.02478	4.6
161.04562	6.4
165.12875	1.8
175.02499	1.7
179.03511	34.2
179.05229	1.7
180.03825	1.9
184.13438	2.0
191.10762	2.5
205.01428	3.5
205.50586	0.9
209.11841	32.8
210.12210	2.9
220.70671	1.0
253.14297	1.2
315.08765	31.6
315.12189	1.3
316.09055	3.0
338.13104	1.0
341.06689	2.3
357.09747	0.9
358.10141	1.5
359.07321	10.7
360.07919	2.0
415.23386	4.2
428.26398	1.3
431.19193	38.4
432.19412	4.6
433.24622	2.2
441.65714	1.0
446.27621	13.1
473.42813	0.9
475.21793	8.3
476.22879	2.1
476.28650	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21375	0.8
52.19842	0.7
55.01875	2.5
57.03450	5.6
59.01381	100.0
60.01705	1.6
61.98832	22.1
68.97455	0.8
69.03462	1.1
70.02972	0.9
70.57086	0.7
71.01385	41.2
71.05045	1.3
72.99326	3.3
73.02954	26.3
74.02480	12.2
75.00909	1.3
81.03482	1.0
83.01397	9.1
83.05059	1.1
85.02964	8.2
86.98116	0.9
87.00883	5.5
87.04555	4.3
88.04051	0.8
88.98809	1.0
89.02459	11.5
93.03477	1.2
95.01418	0.9
96.00921	0.8
97.06599	1.2
99.00893	2.2
99.04535	3.8
101.02451	22.7
101.03076	1.3
104.03568	1.1
107.05051	1.0
109.02982	2.6
109.06606	11.9
109.07327	0.8
111.00920	1.2
112.98806	0.7
113.02457	11.6
114.05622	1.1
115.00387	25.2
116.00692	1.6
117.03504	3.3
117.97338	0.8
119.03519	4.5
119.05076	1.6
120.01269	1.0
121.06556	1.0
123.04563	1.3
123.08173	0.9
125.02501	3.0
125.06161	1.0
125.09738	1.4
127.05191	1.7
129.01930	1.3
130.08809	1.0
131.03497	1.8
133.01454	45.6
134.01817	3.1
134.03786	2.3
135.01901	2.6
135.04535	50.8
135.98459	1.5
136.04915	3.0
143.03551	2.2
147.11858	3.0
149.04570	1.8
149.06152	1.0
151.11319	1.1
153.09322	1.4
154.99881	15.9
156.14003	2.1
159.04535	1.0
161.02438	2.4
161.04584	5.6
163.04010	0.8
165.09245	0.9
165.12909	1.4
175.02588	3.2
175.04007	0.7
179.03514	28.3
179.05757	1.5
180.03871	1.7
184.13492	2.2
187.13306	1.0
189.12943	1.8
191.10849	1.5
195.10294	1.0
196.13403	0.8
197.09756	1.0
205.01550	2.7
209.11835	24.6
210.12248	2.5
233.15498	1.4
239.10873	0.8
253.14380	1.8
258.13474	1.4
261.63312	0.7
267.06726	1.0
269.10373	0.9
271.09848	1.1
277.03702	1.0
277.14587	0.9
285.13559	0.9
293.08743	1.4
315.08719	20.3
316.09210	2.0
317.16223	1.5
341.06693	1.2
359.07370	10.1
359.11710	1.4
360.08047	1.5
403.16141	1.4
413.14441	1.1
415.23706	6.0
416.23898	1.0
431.19141	26.0
432.19644	2.7
433.24673	1.4
446.27594	15.4
475.22171	12.4
476.28653	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	475.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.00606	0.8
59.01381	85.4
60.01720	2.6
61.01818	0.8
61.98833	8.4
69.03460	1.0
69.71381	3.8
71.01388	39.4
72.01713	0.6
72.99317	4.1
73.02953	16.1
73.34293	0.4
74.02481	0.5
75.00859	0.5
79.05541	5.0
83.01397	5.0
83.05027	0.5
83.79098	0.4
85.02950	3.3
87.00901	2.8
88.98856	0.7
89.02462	6.7
93.03473	2.1
95.01394	0.8
95.05054	0.8
96.96067	0.9
97.02983	0.6
97.06603	2.9
98.19825	0.5
99.92616	0.5
101.02460	12.7
109.02985	0.5
111.08193	0.6
113.02454	6.2
115.00391	55.4
115.92077	1.0
116.00751	1.0
117.03494	0.7
119.03546	1.7
119.05042	1.8
123.04532	0.6
125.02502	0.9
125.36673	0.4
128.03581	0.6
131.03537	1.2
133.01453	100.0
134.01794	2.0
135.04546	5.4
139.22585	0.5
141.05597	2.9
143.03525	1.4
145.06601	0.7
149.04588	1.5
149.06102	0.6
151.00345	0.4
153.09232	4.4
154.99889	1.3
155.03499	0.8
156.55438	0.5
161.04575	3.0
168.52945	0.4
169.06619	1.0
175.02530	1.1
175.04012	0.5
179.03526	3.2
179.05571	0.5
182.05887	0.9
182.07388	10.2
183.08031	0.9
185.06056	0.9
193.06657	0.8
195.08174	4.7
196.08885	0.8
197.09718	14.3
198.10069	1.5
209.15440	3.2
221.06458	0.7
221.09781	0.6
223.07692	2.0
227.16655	0.6
237.09212	2.2
239.10783	18.4
240.11185	1.9
253.08559	0.7
255.10266	41.3
256.10571	4.0
271.05865	0.9
271.13300	1.0
283.09857	0.8
315.08997	1.0
315.12363	2.3
359.11380	45.5
360.11752	5.5
371.20782	2.1
382.13242	0.6
384.09689	0.5
389.21695	1.3
415.23495	2.1
431.22766	2.8
433.24393	1.0
475.25525	3.1
476.11386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
70.02988	0.4
71.01386	14.8
72.99294	2.7
74.99221	0.5
75.04070	0.4
87.00882	0.9
89.02436	2.3
104.57392	0.4
108.02133	0.5
109.02965	1.2
113.03577	1.1
114.01986	1.4
115.00390	38.0
116.00732	1.2
121.02956	0.5
128.03596	0.6
128.63857	0.4
131.04637	4.3
132.03065	1.2
132.05077	1.2
132.94675	0.5
133.01453	100.0
133.05075	10.0
134.01797	2.2
135.04552	2.9
147.66539	0.5
149.06093	0.8
156.12631	0.5
159.16502	0.5
161.06139	1.3
179.03531	2.2
194.77014	0.5
205.05257	0.6
213.67628	0.5
229.29588	0.5
253.48360	0.6
271.09885	1.1
359.07513	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51043	0.4
53.32621	0.4
59.00617	0.5
59.01382	8.3
60.99311	13.7
61.98834	5.9
69.75275	3.1
71.01389	9.8
72.99318	0.9
73.02958	1.8
83.01378	0.5
85.02943	0.8
87.00896	1.8
88.04046	0.7
88.98817	100.0
89.02465	6.2
89.99156	1.6
93.03478	0.6
98.04359	0.4
101.02464	1.6
107.05078	0.6
108.02192	4.3
109.02971	12.7
109.06585	0.7
113.02473	1.0
115.00394	17.4
116.92869	1.7
117.03476	1.4
119.05026	1.5
121.02963	4.5
121.06581	0.6
122.03797	0.5
123.04564	2.7
128.03560	1.0
129.10388	0.7
131.05089	0.7
133.01453	24.3
133.03011	1.0
134.01804	0.5
134.03711	1.5
135.04546	34.1
136.04871	1.8
143.04936	0.6
146.03746	0.7
147.00421	0.4
147.04538	1.6
148.05360	1.0
149.06094	8.2
150.06432	0.8
154.99904	0.9
159.04532	0.6
161.02440	1.4
161.04716	0.9
161.06091	7.4
162.06462	0.5
163.04060	0.8
163.07697	0.7
167.03494	0.6
172.00110	0.5
175.04007	0.9
179.03516	20.1
180.03844	1.3
187.07721	0.7
193.05107	1.0
205.01492	1.5
205.05074	0.5
209.11823	0.6
213.05521	0.6
225.09395	0.5
241.05185	1.5
242.05865	14.9
243.06432	4.6
253.08662	2.8
253.14465	0.6
255.06532	0.5
260.72214	0.5
268.00467	0.5
269.08102	1.4
271.09756	27.5
272.10056	2.9
297.07700	0.8
298.21198	0.4
315.08728	12.1
316.09039	1.6
321.51511	0.5
327.08652	1.5
327.12250	0.6
341.06677	1.1
359.07678	33.3
360.08096	4.7
413.27759	1.2
475.08304	1.0
475.22107	1.9
475.28021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17847	0.3
55.01876	0.3
57.03444	0.5
58.00575	0.3
59.01379	34.1
61.98833	13.0
69.03424	0.3
69.96471	0.7
69.96883	1.2
71.01387	20.7
72.01727	0.6
72.04556	0.4
72.99311	2.5
73.02952	6.1
73.04108	0.3
74.02493	0.8
82.06796	0.3
83.01398	2.5
83.05020	0.5
85.02953	2.5
86.02496	0.4
87.00889	1.9
87.04475	0.3
88.98830	1.8
89.02455	5.6
89.03987	1.2
91.05562	0.6
95.01387	0.9
99.00941	0.6
101.02452	7.1
101.03083	0.5
106.04232	0.3
107.05021	1.5
109.02958	1.5
109.06584	0.4
113.02475	6.6
113.03291	0.5
114.19476	0.3
115.00387	32.2
116.00722	1.0
117.03472	6.1
118.03848	0.4
119.03532	1.7
119.04993	0.7
121.02993	0.4
121.06634	0.5
123.04605	0.3
125.02448	0.5
127.05157	1.2
128.03493	0.3
130.08754	0.9
131.03543	0.7
133.01450	47.3
133.03038	1.6
134.01791	1.3
134.03795	3.0
135.04539	100.0
136.04866	4.7
143.03493	0.7
147.11766	0.5
149.04576	0.8
149.06100	0.8
153.06740	0.3
154.99886	2.9
155.11922	0.4
161.02470	5.0
161.04547	2.3
163.03989	0.3
165.05486	0.3
175.02460	0.9
175.03941	0.5
179.03513	55.9
180.03857	3.1
199.11180	0.3
205.01434	4.0
208.10857	0.5
209.11813	1.1
211.07634	0.6
253.14471	0.7
263.69797	0.4
271.09711	0.5
283.10870	0.3
315.08725	33.8
316.09109	3.4
341.06628	3.0
342.06796	0.4
351.19409	0.3
359.07672	23.6
359.11240	1.3
360.08038	2.7
397.19128	1.2
413.27692	0.9
415.23514	3.8
431.19064	2.8
433.24609	0.8
441.18121	0.9
446.41907	0.3
474.63077	0.5
475.08661	0.7
475.21402	2.6
475.80191	0.3
476.28262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
55.99390	0.3
57.81641	0.3
58.00626	0.3
59.01378	19.3
60.01720	0.3
61.98832	6.0
69.03470	0.2
70.12048	0.5
70.12442	0.7
70.96526	0.3
71.01388	15.6
71.64143	0.3
72.66267	0.2
72.99317	1.7
73.02952	6.5
75.00896	0.4
83.00968	0.3
83.01382	1.6
85.02955	2.3
87.00900	1.2
88.98830	1.3
89.02454	2.9
91.05529	0.4
93.03477	0.4
95.01425	0.3
96.00929	0.3
99.00928	0.4
101.02464	5.2
107.05050	1.0
108.02175	0.3
109.03000	2.2
113.02480	3.0
115.00388	18.7
116.00726	0.5
119.03583	0.7
119.05013	0.4
121.02956	0.3
123.04543	1.0
125.02438	0.4
128.03601	0.6
130.08769	0.8
131.03558	0.3
133.01453	40.3
134.01782	0.9
134.03778	3.0
135.04539	86.0
136.04866	3.8
148.04338	0.3
148.05438	0.4
149.04576	0.5
149.06090	0.7
154.99869	1.4
161.02493	1.0
161.04596	2.3
161.05942	0.5
175.02501	0.4
175.03954	0.3
179.03513	100.0
180.03870	5.4
197.04570	0.3
198.58737	0.3
202.25179	0.3
209.11876	0.4
211.07565	0.4
249.04019	0.7
253.08548	0.5
253.14261	0.3
271.09778	2.5
283.11813	4.9
284.12170	0.4
295.04715	1.3
315.08710	2.8
316.09018	0.3
341.06613	0.5
344.41129	0.3
357.09680	0.6
358.10016	1.1
359.07614	32.2
360.07962	4.0
413.27728	2.2
415.16013	3.9
415.23370	0.7
431.19138	2.3
431.22635	0.3
454.92929	0.3
475.07956	0.4
475.21698	3.6
475.26974	0.5
475.33560	0.5
476.22107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20682	0.4
59.01376	1.4
59.45252	0.4
61.43805	0.3
62.96400	0.5
71.29108	0.4
78.95908	95.8
92.51354	0.4
96.96973	5.9
117.89621	0.4
122.00151	1.4
132.03059	0.4
134.98508	0.4
140.01204	8.5
149.20001	0.3
152.99591	14.6
163.82301	0.4
166.02724	0.4
171.00658	15.3
174.43535	0.3
196.03806	13.0
214.04866	3.9
233.22803	0.8
277.21704	100.0
278.22043	11.7
400.22516	1.0
474.26245	83.3
475.26575	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	475.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03454	0.5
57.26845	0.3
58.02961	0.3
59.01381	11.9
60.01674	0.4
60.99296	0.4
61.01780	0.3
61.98832	6.4
69.38216	2.9
71.01388	18.6
72.01722	0.6
72.99315	3.6
73.02953	2.6
75.00869	0.3
81.03460	0.4
83.01403	1.0
85.02951	0.8
87.00883	1.1
87.04517	0.5
88.04046	0.6
88.98819	1.7
89.02457	5.2
93.03481	0.9
95.05033	0.5
96.00952	0.3
99.04558	0.3
101.02464	2.6
107.05001	0.6
109.02967	3.0
109.06612	0.3
112.01167	0.2
113.02455	1.1
115.00391	44.9
116.00728	1.1
117.03483	0.8
119.03529	0.5
119.05044	1.0
120.99704	0.3
121.02965	3.2
121.06611	0.7
123.04550	5.2
125.02478	0.8
128.03531	0.5
129.10284	0.3
131.03476	0.6
131.05043	0.3
133.01456	100.0
134.01787	2.7
134.03775	0.9
135.03000	0.6
135.04546	13.1
136.04926	0.5
137.02441	0.3
137.06078	0.2
138.03232	0.5
138.05634	1.0
139.05980	0.6
143.05023	0.6
147.04501	1.2
148.05341	1.9
149.02441	0.5
149.04619	0.9
149.06105	7.3
151.00517	0.3
153.05577	1.6
154.99908	1.1
159.04541	0.3
161.02493	0.7
161.04576	0.6
163.03970	0.3
167.03523	5.9
170.64244	0.2
175.04018	12.6
176.04559	1.0
179.03516	6.4
179.05231	0.4
179.05635	0.3
179.10733	0.4
180.03995	0.4
187.04044	0.9
191.05595	0.3
191.07147	0.9
193.05092	1.5
193.12389	0.3
205.01471	0.7
209.04546	0.4
209.11963	0.3
225.05878	1.8
225.09277	0.3
233.06201	0.3
237.04070	0.6
251.07181	0.4
253.08653	1.0
253.14540	1.0
261.05643	1.1
265.08740	0.3
271.02841	0.3
271.09738	6.4
272.10217	0.6
279.06683	1.1
297.07690	13.9
298.08023	1.6
313.07748	0.3
315.08762	9.6
315.12476	0.5
316.09164	1.6
327.08798	1.5
341.06708	7.1
342.07159	0.4
358.09918	0.3
359.07654	12.5
360.08063	1.8
387.11176	0.5
413.27823	0.4
415.14676	0.4
431.19257	0.5
451.89871	0.3
460.45651	0.3
465.62692	0.4
466.62744	0.3
475.08096	0.3
475.14590	3.0
475.21899	1.7
476.21661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24490	0.4
56.08990	0.3
57.03443	1.4
59.01379	9.1
61.98827	1.6
67.01875	0.6
68.73444	0.3
69.03458	0.6
71.01389	7.1
72.99322	0.7
73.02957	1.5
83.01401	0.5
83.05040	0.5
85.02950	2.4
85.06579	0.3
87.00888	0.6
89.02453	2.7
90.09495	0.4
95.01390	0.6
95.82194	0.4
97.06615	0.9
98.20631	0.9
99.00863	0.5
99.04552	0.5
101.02444	3.6
113.02482	2.2
113.09751	1.3
119.03518	1.3
119.05084	0.4
121.02979	0.5
123.08177	0.5
125.09739	4.1
129.90686	0.3
139.11314	1.6
141.12894	0.5
149.09753	1.5
151.11307	0.3
167.14397	0.8
171.10294	3.8
185.11861	5.8
186.12144	0.4
193.12361	1.4
197.11836	2.0
211.13409	30.4
212.13687	2.1
235.13512	0.6
249.22169	0.5
273.53870	0.4
275.20322	0.4
293.21210	46.4
294.21512	4.7
311.22269	5.8
312.22433	0.7
402.15628	0.4
473.27551	100.0
474.27899	15.6
484.23755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17238	0.3
51.50288	0.3
51.84879	0.3
52.77119	0.3
59.01361	1.0
66.68342	0.3
71.17033	0.9
78.83968	0.3
78.95908	19.5
96.96973	1.6
117.34931	0.3
140.01187	1.9
152.99608	2.3
171.00659	2.5
196.03879	1.8
214.04857	3.1
217.86563	0.3
229.74489	0.3
233.22734	0.5
259.20734	0.6
275.20078	0.4
277.21719	100.0
278.22064	11.1
341.85449	0.3
474.26270	19.3
475.26566	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
57.69491	0.5
59.01381	100.0
60.01727	1.6
60.77127	0.4
61.98835	11.8
66.18391	0.5
71.01389	9.1
71.71837	1.0
72.99323	0.7
73.02953	6.7
74.02471	1.1
75.00915	0.5
79.05547	1.4
79.95771	0.6
83.01408	1.7
83.05038	0.8
85.02961	3.1
87.00898	1.0
88.98847	0.6
89.02481	1.8
92.07412	0.5
95.05102	0.7
96.96024	3.8
97.06609	1.2
99.04550	0.9
101.02460	4.9
101.19956	0.5
109.06635	0.5
113.02478	3.4
114.98571	0.6
115.00387	2.5
116.92873	0.5
119.03565	0.8
119.05087	1.5
121.02981	0.5
123.04507	0.5
128.03589	0.6
133.01508	2.0
134.03767	1.0
135.04561	1.0
137.06157	1.2
141.05624	0.7
143.03595	0.5
145.03062	0.9
145.83319	0.5
149.06116	0.7
151.00763	0.6
154.99934	1.4
159.06586	0.5
161.04628	1.3
163.04080	1.6
163.11320	1.3
168.01373	0.5
175.02510	1.5
179.10791	0.8
180.11166	0.5
181.12372	13.7
181.13907	0.8
182.12772	1.1
193.05080	0.7
203.05559	0.6
207.14032	1.3
209.11897	1.4
223.13260	0.5
225.11334	18.0
226.11742	1.4
236.16542	0.5
252.40282	0.5
253.14520	0.8
267.12299	0.7
269.13959	6.8
270.14218	0.8
271.14529	0.6
357.09872	1.6
367.20230	1.0
376.19186	0.5
411.16605	2.2
413.21756	1.0
438.32990	0.5
455.18210	2.9
473.23248	3.1
474.24695	1.0
474.30786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83424	0.1
57.03456	0.3
59.01379	100.0
59.34526	0.1
60.01713	1.2
61.98842	1.2
68.79491	0.1
71.01388	3.2
71.01765	0.3
72.99317	0.4
73.02956	1.4
73.04082	0.2
74.02486	0.4
75.00871	0.2
83.01405	0.5
85.02983	0.6
86.57198	0.1
87.00892	0.4
89.02444	0.9
93.03481	0.3
98.00079	0.2
98.19836	0.3
101.02454	1.9
101.03072	0.2
108.23164	0.1
109.03047	0.2
109.06669	0.2
113.02453	1.0
115.00386	2.0
119.03550	0.4
119.05038	1.8
124.04068	0.2
127.05167	0.9
127.14418	0.2
130.08777	0.2
133.01453	3.7
134.03789	0.6
135.03050	0.3
137.02480	0.2
147.04604	0.5
148.05370	0.4
149.04564	0.2
149.06105	0.3
151.04080	0.2
153.09248	0.2
159.04593	0.5
160.04834	0.1
161.04619	0.5
161.06032	0.2
161.12885	0.1
163.04051	1.4
166.06339	0.3
167.04628	0.2
175.02502	0.5
179.05704	0.2
184.07367	0.7
191.07166	0.4
193.05028	1.2
203.03564	0.3
205.22055	0.2
207.06657	0.7
223.13353	0.2
235.06009	0.2
252.07913	0.3
253.08755	0.6
254.09489	0.5
254.12047	0.2
255.13625	0.5
255.16113	0.2
267.10181	0.3
269.12012	0.5
313.10703	0.9
357.09708	1.9
358.10223	0.3
368.21991	0.4
413.22144	0.4
425.24323	0.4
455.26105	0.2
473.12839	0.2
473.19260	0.3
473.26367	1.9
474.26340	0.3
497.58060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12808	0.4
54.06974	0.4
55.01905	0.5
55.86896	0.4
57.03449	1.7
58.00605	0.6
59.01381	68.1
60.01715	1.0
61.98833	14.1
69.03465	0.7
69.53020	2.6
69.53441	1.7
71.01388	34.4
71.05025	0.8
72.99316	4.2
73.02953	13.0
73.03341	0.9
74.02474	1.2
75.00895	0.8
78.95926	0.6
83.01392	3.4
85.02950	3.1
87.00890	1.7
88.98838	1.0
89.02453	8.2
93.03448	2.3
95.01378	0.7
97.03015	0.7
99.00918	1.0
99.04556	0.5
101.02459	12.3
101.03091	0.9
102.02777	0.5
108.02192	0.5
109.02955	1.1
111.08184	0.5
113.02460	7.3
115.00391	47.5
116.00730	1.1
119.03526	1.7
119.05035	4.9
121.02974	0.8
122.03728	1.2
123.04546	1.6
125.02430	0.7
129.01994	0.8
130.08754	0.7
131.03531	1.2
131.05089	0.7
132.05826	4.2
133.01456	100.0
133.06615	5.4
134.01785	2.2
134.03761	2.4
135.04555	1.5
138.06914	1.6
143.03508	1.6
145.02968	1.0
147.04590	1.1
148.05330	1.6
149.04608	0.7
149.06082	0.5
153.09250	5.6
154.99870	0.5
158.03778	7.3
159.04553	2.4
160.05334	1.7
161.04613	4.1
161.05931	0.8
163.04039	3.3
164.04816	2.5
171.04523	0.6
174.03217	0.5
175.04028	0.6
177.05606	1.0
178.02745	0.8
179.03438	0.7
179.05678	0.8
180.04387	0.6
187.04022	1.1
190.02742	1.9
193.05063	2.4
203.03598	1.0
203.05603	0.5
207.06633	1.0
207.13963	1.1
219.06590	1.4
221.04623	0.9
225.14937	7.0
226.15231	0.5
227.07193	5.8
237.09155	0.8
239.07184	1.1
251.16512	0.9
253.08739	1.7
254.09402	1.6
267.10397	0.6
269.11819	12.3
269.17654	0.5
270.12219	1.5
281.08145	2.1
295.09760	8.2
296.09982	0.7
298.08408	1.5
313.07364	0.8
313.10809	9.6
314.11090	1.7
339.05002	0.9
339.08765	10.1
340.08917	1.1
357.09814	21.2
358.09979	2.5
369.19150	1.2
387.20181	1.9
413.21796	2.1
429.21408	1.5
431.22702	2.1
473.10614	0.6
473.19672	3.6
473.29935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40277	0.8
59.01379	67.7
60.01699	1.0
61.98833	2.1
69.03467	1.0
71.01383	39.8
71.72684	0.9
72.01706	1.4
72.99305	4.9
73.02531	1.4
73.02949	25.3
75.00858	1.5
79.13699	0.9
83.01395	7.3
85.02950	3.6
87.00874	2.3
89.02457	10.1
91.01899	0.9
92.33128	0.9
93.03452	4.7
96.99290	1.7
101.01775	1.4
101.02454	25.6
102.02743	1.2
108.02241	0.9
109.02907	1.2
110.71329	0.9
113.02454	9.7
115.00386	45.1
119.03500	2.8
119.05040	16.0
121.02906	1.9
123.04562	4.4
131.03546	2.1
131.04988	1.2
133.01448	88.0
134.01797	2.4
134.03748	16.2
135.03020	5.3
135.04550	7.1
137.02388	1.3
143.03502	3.7
143.05031	5.2
145.03015	1.3
146.03706	2.1
147.04526	1.8
148.05283	1.0
149.04576	3.4
149.06085	3.8
158.03764	2.8
159.04509	3.9
160.05312	1.7
161.04561	6.8
161.05954	1.4
163.04054	6.0
178.02673	1.2
193.05019	4.2
194.87880	1.0
219.06673	1.0
221.06624	1.5
226.06351	1.1
226.32176	0.9
227.07039	1.0
239.06966	1.0
239.15053	0.9
241.08571	1.5
250.06329	1.0
251.07172	8.6
252.07767	3.4
253.08618	5.7
254.09386	3.6
267.10257	0.9
269.11884	4.3
279.06671	2.1
280.07358	7.7
295.09793	6.1
296.09894	1.2
299.17288	2.6
313.10788	10.0
324.06558	1.1
339.08746	4.1
341.68686	0.8
342.08636	1.1
357.09811	100.0
358.10144	13.0
429.25620	1.0
473.20322	2.3
473.26300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.5
59.01379	100.0
60.01703	1.6
61.98826	8.8
69.03458	1.6
71.01385	28.4
72.01737	0.7
72.99323	2.6
73.02949	9.3
74.02507	2.3
75.00900	0.7
75.86735	0.6
80.47710	0.6
83.01377	3.9
83.05006	0.7
83.29034	0.6
85.02951	5.7
87.00900	1.9
89.02448	7.8
91.49303	0.6
93.03466	4.1
95.01424	1.2
97.03014	0.9
97.06647	0.9
99.00928	1.1
101.02453	12.4
107.04986	0.6
113.02459	9.8
115.00386	19.7
119.03560	2.4
119.05025	6.0
123.04564	1.8
125.02521	0.9
127.05132	4.2
128.03566	0.9
129.01990	2.2
130.08742	1.3
131.03580	1.4
132.05908	0.8
133.00435	1.5
133.01450	29.5
133.06653	0.8
134.03758	3.8
134.14896	0.6
135.04567	2.8
137.09740	5.9
143.03569	1.7
143.10765	0.8
143.11943	1.1
145.03008	3.6
146.03786	1.1
147.04518	1.4
148.05338	1.7
149.04675	0.8
149.06104	2.3
149.83948	0.8
151.03963	1.0
158.03775	1.3
159.03218	0.8
159.04520	3.4
161.04593	6.0
161.05928	1.0
163.04044	4.3
163.11316	1.6
174.03316	1.0
175.03978	1.2
179.03481	1.4
179.05688	1.8
187.04042	8.8
187.11078	0.8
189.12889	1.0
192.11620	1.7
193.05098	5.8
203.03595	0.9
203.05580	1.0
207.06674	1.9
207.13892	11.1
208.14297	0.8
219.06769	2.8
221.06750	0.9
225.09167	0.8
225.14970	10.9
225.17059	1.0
226.06306	1.3
227.07150	13.6
229.76735	0.9
239.07184	1.5
253.08839	2.2
254.09578	1.7
261.05658	0.7
263.05438	4.7
267.10254	1.1
269.11887	4.9
281.08188	3.2
295.09625	1.5
295.49072	0.7
307.42145	0.7
313.10828	11.2
314.11392	0.9
315.18500	0.6
339.08868	2.0
357.09793	17.4
358.10294	2.6
369.19244	10.3
370.19550	1.3
387.20023	4.0
411.22531	7.7
413.22037	2.2
429.21643	3.2
431.23160	1.1
473.20782	1.0
473.28897	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	473.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.8
59.01380	0.9
66.03828	0.3
70.02982	6.9
71.01390	1.0
71.02505	2.5
71.71270	0.5
72.00914	3.3
73.90651	0.3
74.71089	0.3
82.80031	0.3
86.07375	0.2
88.04050	0.8
89.02462	1.0
95.02523	6.6
111.02034	2.4
113.03589	30.9
114.01984	27.3
114.03918	0.9
115.02322	0.7
119.03547	0.4
126.93769	0.3
131.04646	100.0
132.03053	3.2
132.05057	2.5
133.01440	0.4
167.30243	0.3
304.67130	0.3
341.11075	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85849	0.5
57.03461	1.2
59.01382	100.0
60.01721	1.5
61.01826	1.0
61.98835	10.4
67.14244	0.5
69.03460	0.6
71.01389	22.9
71.74347	0.9
72.99325	1.3
73.02956	5.9
74.02489	0.8
75.00879	0.8
77.31066	0.6
83.01414	2.0
83.05048	1.1
85.02961	5.8
87.00914	2.6
89.02451	5.1
95.01405	0.7
96.00929	0.9
97.02965	0.8
97.06619	1.0
99.00900	1.6
101.02457	9.0
113.02464	6.1
115.00401	10.1
119.03561	2.0
119.05043	27.7
120.05396	1.0
121.03022	0.6
125.02464	1.1
127.05184	0.9
130.08755	1.5
131.03595	0.7
133.01463	16.7
134.03766	24.5
135.04230	1.3
137.09825	0.8
143.03557	0.9
149.06105	12.9
150.06502	1.3
154.99911	1.3
161.04591	4.9
163.04037	26.0
163.11327	1.4
164.04407	1.1
165.12912	0.7
175.02477	0.8
178.02750	0.9
189.05602	0.9
193.03311	1.2
193.05080	22.0
194.05507	1.6
225.14906	0.9
228.92436	0.5
229.88336	0.6
251.16776	0.7
268.04056	0.7
269.17709	0.6
293.14081	0.8
325.16705	2.1
334.24200	0.6
357.09854	11.1
357.14072	0.8
358.10403	2.0
369.19391	2.0
387.20325	4.6
392.89545	0.6
397.14026	1.4
413.21878	3.6
429.21423	7.0
430.21606	1.1
431.22742	1.3
438.25427	0.6
441.13181	1.2
473.23862	3.0
473.29236	1.5
474.24762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41200	0.3
54.05056	0.3
58.02965	0.7
59.01381	1.1
63.42350	0.3
70.02982	6.5
70.79054	0.8
71.01389	2.0
71.02515	2.5
72.00916	3.1
82.09594	0.3
83.02525	0.3
88.04065	1.4
89.02469	1.0
95.02518	6.5
101.02437	0.4
111.02032	2.8
113.03590	31.6
114.01988	25.9
114.03912	0.8
115.00402	1.9
115.02337	0.5
119.05035	0.6
121.03037	0.4
131.04646	100.0
132.03052	4.0
132.05061	2.5
133.01456	1.8
134.01907	0.3
134.03793	0.6
135.04556	1.1
149.06114	0.4
161.04565	0.4
175.02440	0.8
179.05630	0.5
181.05223	0.3
189.05618	0.9
253.08824	0.4
261.91956	0.3
311.07736	0.3
341.10791	2.4
342.11075	0.4
357.09940	2.7
473.15814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
61.98832	1.5
69.03469	0.4
71.01386	9.8
71.05737	0.4
72.99318	1.2
73.02959	0.8
74.02487	0.7
75.49596	0.4
83.01395	2.0
85.02958	0.9
87.00883	0.6
89.02463	0.7
91.01921	0.9
91.64077	0.4
93.03474	3.0
96.00931	0.5
96.96034	0.6
96.99320	2.4
97.02951	0.8
99.00911	1.0
101.02438	1.0
107.05030	0.7
107.95100	0.4
108.02211	1.0
109.02966	27.7
110.03291	1.0
111.00899	15.1
112.01254	0.6
113.02477	0.7
113.03641	0.6
115.00386	15.8
115.08808	0.7
116.07233	0.8
116.92888	0.7
117.03439	1.0
119.05042	19.1
120.05401	1.1
121.02969	2.8
121.06616	0.8
123.04531	4.4
124.01702	0.5
127.05186	0.6
128.03568	2.3
129.10384	1.0
131.05005	1.4
131.19907	0.5
133.01454	18.7
133.03011	1.4
134.01746	0.8
134.03761	18.6
135.04553	24.4
136.04886	1.3
137.02505	0.9
139.04018	1.0
143.05061	3.7
145.02982	1.3
145.06453	0.4
146.03731	1.3
147.04524	3.0
148.05327	1.8
149.02444	2.2
149.06110	9.7
150.03264	1.0
150.06427	0.7
151.04028	1.2
158.03754	1.6
159.04512	5.3
161.02440	1.1
161.06131	1.4
162.03236	3.7
163.04027	9.0
165.02042	0.4
165.05647	0.9
171.04546	0.6
173.06071	1.7
174.03285	0.6
175.02611	0.8
175.04001	4.0
176.04727	2.3
177.05585	25.3
178.02722	1.4
178.05908	1.3
179.03554	3.1
183.04568	0.9
187.04028	0.9
189.05591	1.5
190.02719	0.7
191.01959	0.5
191.03476	2.4
193.05045	4.8
201.05606	0.8
203.03546	2.4
205.05045	0.7
207.06586	0.5
211.07652	1.7
212.07939	0.4
219.03043	4.2
219.06578	5.8
221.04555	67.8
222.04884	4.5
226.06462	1.0
231.06477	0.5
233.04468	0.8
235.07674	0.6
239.07129	0.5
241.08629	0.9
245.04619	1.0
249.07578	0.7
251.07106	7.4
252.07849	3.7
253.08733	4.4
254.09424	3.8
263.05481	2.3
265.08572	0.6
267.08786	1.6
269.08255	0.8
269.11810	1.0
279.06699	2.2
280.07397	7.2
281.07727	0.9
293.06638	2.5
295.09750	4.6
296.09860	0.5
311.07730	64.3
312.08066	6.9
313.07196	1.4
313.10815	6.3
314.11005	0.8
324.06372	1.2
339.08661	2.0
340.09402	0.6
357.09808	100.0
358.10107	13.8
383.09924	3.2
392.99805	0.4
407.10248	0.4
413.20135	1.0
425.11121	0.4
455.11877	1.3
455.21622	1.0
472.24442	0.5
473.12915	22.8
473.22638	3.4
474.13446	3.8
474.25183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01379	17.8
60.01703	0.3
61.98835	4.6
64.37060	0.2
69.03440	0.3
70.81715	0.5
70.82117	0.4
71.01386	20.6
72.01719	0.5
72.99310	3.6
73.02950	2.5
73.55900	0.2
74.02496	0.2
78.95875	0.3
83.01386	0.7
83.05045	0.3
85.02953	1.5
87.00887	1.0
88.38957	0.2
88.98847	0.4
89.02460	4.3
93.03460	0.7
95.01365	0.3
96.96047	0.2
101.02460	2.6
102.05637	0.2
103.00391	0.2
108.02193	0.6
109.03005	0.4
111.00871	0.3
113.02462	2.4
114.05637	0.4
115.00390	46.8
116.00733	1.2
119.03512	0.8
119.05044	2.7
121.02967	0.4
121.06619	0.2
122.03760	0.6
123.04528	0.8
125.02482	0.3
127.05149	0.4
128.03558	0.3
130.04276	0.3
130.08784	0.5
131.05132	0.4
132.05830	2.3
133.01451	100.0
133.06612	2.5
134.01785	2.6
134.03743	1.6
135.04544	1.8
135.98442	0.4
137.02440	0.3
143.03468	0.3
145.02951	0.4
145.06636	0.4
146.03731	0.6
147.04526	1.0
148.05333	7.9
149.05991	0.7
150.03249	0.7
151.03992	0.9
158.03752	4.6
159.04550	2.6
161.04614	1.0
162.03242	2.9
163.03999	2.1
163.07655	0.8
163.11267	0.2
164.04816	1.6
164.07082	0.2
173.02470	0.9
173.06065	0.3
174.03223	2.7
175.02495	0.3
176.04768	0.2
177.01945	0.3
177.05591	0.6
179.03523	1.4
179.05673	0.3
180.04317	2.2
189.97330	0.2
190.02771	1.3
191.03441	0.3
191.07185	0.6
192.04333	2.2
193.05061	2.8
194.05336	0.2
199.81310	0.2
203.03578	1.2
203.05328	0.2
206.02199	1.1
207.04836	0.4
207.06610	3.0
207.13979	0.2
221.04526	0.4
224.03264	1.5
225.09296	0.6
233.04565	0.2
237.09239	0.4
239.07202	0.6
243.12387	0.2
245.29979	0.2
247.05995	0.3
251.05585	2.8
251.12921	0.7
252.05798	0.3
253.08775	0.6
254.09470	1.5
255.10080	0.2
256.20117	0.2
267.10266	0.3
269.11804	21.3
270.12189	2.3
280.07428	0.2
281.08319	0.3
295.09747	7.2
296.10147	0.8
297.07455	0.2
313.10809	7.9
314.10959	0.5
315.18033	0.3
339.08749	9.2
340.08978	1.1
357.09787	20.0
358.10120	2.6
387.20331	0.3
413.21844	1.1
415.36639	0.2
429.17108	0.3
431.23004	0.9
438.76614	0.2
458.01843	0.2
472.29498	0.2
473.10892	0.6
473.19485	1.5
473.26331	0.2
473.29816	0.2
474.26752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00358	0.4
59.01378	0.8
61.98830	7.6
62.96378	0.4
67.13097	0.3
70.97211	0.9
78.95909	61.0
96.96972	6.0
98.09583	0.3
116.92871	0.5
134.04730	1.4
150.97981	1.7
152.99606	100.0
153.99953	1.7
171.00639	2.0
255.23177	2.4
305.24771	1.0
409.23596	54.3
410.23911	7.0
413.30591	6.3
471.35013	1.2
472.35056	2.1
473.27209	0.5
473.36261	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
60.01718	0.2
61.98834	2.4
68.84403	0.2
69.03462	0.2
69.58427	0.7
69.58851	1.1
70.45194	0.2
71.00985	0.3
71.01386	6.7
72.01743	0.2
72.99307	0.7
73.02953	1.6
80.30116	0.2
83.01392	0.8
85.02951	0.8
86.72697	0.2
87.00880	0.9
88.31457	0.2
88.98804	0.2
89.02470	1.3
89.03990	0.2
91.01907	2.2
93.03468	3.8
93.31500	0.2
96.00908	0.3
96.99322	3.7
101.02445	1.7
106.04248	0.3
108.02175	1.5
108.56057	0.3
108.56959	0.3
109.02956	0.8
110.81860	0.2
111.00867	0.5
113.02484	1.1
115.00385	8.2
117.03488	0.9
119.05044	8.1
123.04535	6.9
124.01652	0.5
124.04883	0.4
128.03517	0.7
129.10350	0.2
130.04245	0.5
131.05075	1.5
132.02231	0.5
132.05763	0.3
133.01445	11.1
133.02916	1.3
134.01762	0.3
134.03766	8.1
135.04521	0.7
137.02452	0.6
143.05046	7.4
144.05417	0.4
145.02975	2.4
145.06647	0.3
146.03767	3.0
147.04500	1.0
148.01697	0.5
148.05327	1.2
149.02385	0.3
149.06100	1.2
150.03250	0.3
150.80530	0.2
153.05609	0.5
158.03748	2.3
159.04532	5.0
160.01620	0.3
160.05226	0.3
161.04555	0.7
161.06104	2.3
163.04031	6.6
164.04308	0.4
171.04497	0.4
173.02406	0.2
173.06093	2.2
174.03226	0.6
175.03999	0.7
178.02727	1.0
179.03427	0.2
179.05673	0.3
187.03976	0.6
188.04613	0.3
189.12863	0.2
193.05080	4.1
197.09753	0.3
203.03676	0.2
207.10197	0.2
207.13850	0.3
226.06366	2.5
235.07634	0.9
236.08356	0.3
236.16022	0.2
238.06300	0.6
239.07184	0.4
241.08698	2.3
242.08948	0.2
249.09282	0.3
250.06259	0.6
251.07118	11.6
252.07849	4.5
253.08632	3.2
254.09433	2.8
257.09479	0.3
262.06213	0.3
263.07037	0.9
265.08698	0.9
267.10287	0.8
269.11826	1.9
271.02402	0.3
279.06616	3.6
280.07397	10.6
281.07739	1.1
295.09769	8.3
296.10004	0.8
311.09097	0.2
313.10858	1.5
324.06366	1.8
339.04956	0.4
339.08746	4.1
340.09204	0.4
357.09799	100.0
358.10141	12.2
358.14664	0.4
413.21808	0.6
458.11401	0.6
473.19940	0.7
473.26376	0.4
474.12854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03430	0.7
58.00581	2.0
58.73482	0.5
59.01381	41.0
68.35813	0.5
70.03004	0.7
70.93240	0.9
70.93604	1.2
71.01386	28.9
72.01686	0.7
72.99313	1.5
73.02934	0.9
80.26724	0.5
83.01384	1.4
85.02976	4.4
87.00885	2.2
89.02455	41.4
90.02781	1.1
94.36620	0.6
95.01404	1.8
95.02548	0.5
96.96974	0.6
101.02457	18.6
113.02465	13.0
113.03593	4.7
114.01996	4.2
115.00391	1.1
119.03514	14.8
125.02448	0.6
130.05118	1.0
130.08760	41.5
131.03511	2.2
131.04636	12.8
131.09091	1.8
133.01447	1.7
143.03493	3.2
143.91168	0.5
145.06308	0.6
149.04558	0.7
161.04584	4.6
165.34459	0.5
175.02487	1.6
179.05630	19.0
180.06013	0.7
189.05560	1.8
221.98239	0.6
298.12381	0.7
304.24466	0.5
341.10904	100.0
342.11255	8.0
357.10037	1.1
386.14758	0.6
396.86511	0.6
472.20660	0.7
473.14639	0.8
493.30640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04829	0.7
58.02974	10.6
58.15429	0.8
59.01382	35.1
61.98833	12.0
65.45995	0.8
69.70766	2.6
69.71198	2.8
70.02985	2.8
71.01387	8.2
72.99310	1.8
73.02949	2.8
73.04064	4.8
78.35061	0.6
80.05080	1.6
82.06622	1.7
83.01397	1.8
85.02968	2.9
87.00881	1.7
87.05650	10.5
89.02472	2.8
94.06629	1.8
95.02554	1.2
95.05024	1.2
96.00927	10.3
96.03304	1.0
96.96027	1.5
97.04099	3.1
97.06591	1.0
97.56470	0.8
98.02486	6.3
101.02464	4.3
108.08189	0.9
111.04427	1.8
113.02477	3.2
114.01996	5.1
115.00361	1.3
115.05170	6.0
119.03527	1.0
126.06751	10.1
127.05168	1.1
129.10368	23.0
130.08777	1.8
131.04628	0.7
133.01430	2.4
133.02965	0.9
135.03003	1.4
135.04543	1.2
138.05638	1.0
139.04041	6.5
139.08815	2.2
140.07199	16.5
140.45360	0.7
141.07536	0.9
141.10420	1.3
144.07823	8.2
151.08780	7.4
152.07182	2.2
153.05412	4.7
153.10350	4.9
153.18349	0.9
155.08203	0.8
155.11922	9.6
161.02342	1.2
161.04623	1.0
161.13359	1.1
166.08772	3.3
167.11946	4.0
168.07817	19.7
168.10327	1.6
168.11452	27.2
169.06186	1.2
169.09822	2.1
169.11835	1.1
175.02480	1.7
179.03502	1.5
183.11418	16.9
183.16072	0.8
186.08867	36.0
186.12486	27.7
187.09093	1.0
187.11339	0.9
189.09177	0.9
208.13483	2.1
210.12489	68.2
211.10884	7.5
211.12796	5.0
212.14084	1.5
215.13972	1.5
218.49509	0.7
225.16113	2.9
228.13535	94.1
229.13853	4.9
251.88159	0.7
252.20839	12.0
254.15039	3.0
268.20135	2.1
291.19714	1.3
292.22830	3.1
296.19901	2.0
309.23026	1.9
310.23697	2.1
328.22269	1.8
338.27026	1.3
351.23962	2.4
356.28104	1.7
385.24612	1.6
393.23074	0.9
395.23111	8.6
427.25626	100.0
428.25937	12.7
453.29974	1.7
471.20389	1.2
471.25995	2.7
471.30954	20.3
472.30768	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85792	0.3
55.01866	0.4
57.03445	1.5
58.00588	0.7
59.01381	17.9
60.01723	0.4
61.98819	1.0
67.01888	0.7
69.03454	4.4
70.24441	1.3
71.01389	12.0
72.99308	1.5
73.02965	1.3
82.41061	0.3
83.01379	0.8
83.05025	0.7
85.02962	3.0
87.00870	0.6
89.02456	6.5
95.01393	0.5
95.05046	0.5
96.46220	0.3
97.02964	0.7
97.06603	1.5
99.00869	0.6
101.02455	6.6
101.03093	0.6
111.08187	1.1
113.02451	3.8
119.03531	3.1
121.10263	3.9
123.08154	1.0
125.09746	7.2
126.10051	0.4
130.08789	0.3
131.03586	0.4
137.09756	1.2
137.61963	0.3
139.04039	0.3
141.12828	0.4
143.03506	0.4
147.08093	0.3
153.68486	0.3
153.69986	0.2
163.07835	0.3
163.11279	0.4
165.12889	0.9
167.14381	0.7
171.10291	3.4
175.11311	0.5
177.12836	0.7
179.14499	0.3
181.12305	0.3
185.11858	6.4
186.12190	0.5
190.07903	0.3
193.12250	0.6
195.13887	0.7
197.11784	1.8
203.10718	0.6
209.11864	1.8
211.13406	30.8
212.13695	2.2
221.11798	1.5
223.13297	0.5
225.14941	0.3
227.12927	0.4
235.13454	0.3
239.12897	2.6
247.20618	0.8
273.18619	0.9
274.68747	0.4
291.19653	31.8
292.20016	4.2
309.20688	4.0
310.21109	0.4
427.18765	0.6
428.19775	0.3
453.24832	0.3
471.25995	100.0
472.26352	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.75367	0.3
60.01723	1.2
61.98828	1.2
71.01387	1.8
73.02966	1.2
78.95959	0.5
83.01419	0.7
84.47149	0.3
85.02974	0.5
87.00887	0.4
89.02437	0.8
96.96009	0.4
98.19734	0.5
101.02489	1.1
105.55915	0.3
113.02479	1.0
115.00365	0.6
119.03512	0.4
141.76465	0.3
161.04671	0.6
175.02571	0.4
210.53479	0.3
214.80225	0.3
229.40776	0.4
329.73364	0.3
471.26175	1.8
471.34900	0.4
472.25366	0.4
473.46838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58061	0.2
57.03458	0.8
59.01379	100.0
60.01727	1.6
61.98832	5.7
69.03454	0.4
71.01383	6.1
71.01760	0.4
71.72865	0.3
71.73315	0.4
72.01718	0.2
72.99335	0.7
73.02957	4.9
73.03349	0.5
75.00880	0.4
78.95967	0.4
79.05587	0.5
83.01398	1.7
83.05060	0.3
84.09294	0.3
84.19006	0.2
85.02948	1.4
87.00883	1.2
89.02454	1.0
96.00951	0.8
96.96046	0.3
97.06615	0.6
99.00887	0.4
99.04549	0.4
101.02450	4.0
113.02460	2.3
115.00384	1.4
119.03524	0.5
120.01258	0.3
122.06212	0.3
125.02473	0.4
127.59126	0.3
128.03607	0.3
130.08733	0.3
133.01474	0.8
135.03061	0.4
135.04575	0.4
135.11824	0.4
139.04041	0.7
141.05606	0.3
143.03525	0.5
154.99886	0.6
157.01381	0.3
160.26758	0.3
161.04620	0.8
161.09793	1.2
161.13408	0.4
163.11369	0.5
175.02496	1.2
179.03539	0.4
179.10823	1.2
187.11339	0.9
189.09200	0.4
189.12947	0.3
203.05664	0.6
203.10826	0.4
205.12329	0.4
207.10382	0.4
207.13959	2.6
221.06792	0.3
223.09874	1.0
223.13388	3.8
224.13847	0.4
249.11348	0.6
267.12366	1.6
309.13434	0.3
337.17731	0.4
356.16415	0.3
429.21326	0.3
471.22430	1.1
471.28873	0.4
471.34860	0.4
472.23972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03456	2.4
58.00576	1.0
58.02937	1.0
59.01383	37.3
61.98840	9.5
71.01388	68.0
71.73051	1.0
71.73432	2.1
72.99311	2.7
73.02950	18.7
74.02477	4.4
82.02980	2.0
83.01389	7.4
85.02968	20.1
87.00877	7.4
87.05692	0.9
88.04057	1.9
89.02459	11.7
90.07715	1.0
95.01426	2.0
96.00951	3.2
96.96049	2.5
96.96970	2.8
97.02961	1.1
98.02483	2.5
98.32657	1.1
99.00902	7.9
101.02461	43.8
107.05060	1.4
109.04053	1.1
111.00915	2.8
112.01713	1.1
113.02465	18.4
114.05625	1.3
114.99628	2.0
115.00387	20.3
115.08788	1.2
115.92103	2.0
116.92856	2.9
119.03539	2.9
119.05052	15.4
120.01311	1.5
120.99666	1.3
121.02962	1.3
122.99284	2.4
123.04497	1.2
125.02477	1.8
127.05206	6.1
128.03560	11.9
130.06261	1.6
130.08765	1.9
131.03523	2.6
131.04582	1.1
133.01460	15.5
133.02986	1.7
134.03763	44.4
135.04604	2.3
137.02475	5.0
139.04048	1.2
143.03506	3.3
143.04544	1.9
145.03050	1.2
145.06244	3.1
146.04616	2.0
149.04762	1.8
149.06107	20.4
151.03911	1.2
154.99898	1.3
159.03058	5.4
161.04579	23.6
163.04028	31.7
164.04364	2.5
166.08705	1.1
175.02510	18.8
177.01971	3.9
178.02718	16.7
179.03438	4.3
186.12589	1.2
193.05081	100.0
194.05478	7.4
204.04276	2.7
219.06612	2.3
237.03937	1.5
249.07643	4.7
263.25467	1.0
265.56497	1.2
279.14502	89.5
280.14822	7.3
306.07816	1.5
355.10165	3.4
374.52652	1.1
411.18719	79.5
412.19089	8.8
442.23294	1.6
454.22995	2.0
471.10944	2.1
471.20267	2.0
471.25845	3.0
471.35004	2.0
472.18137	1.5
472.24091	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	471.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
57.03447	0.9
58.00597	0.7
59.01380	17.6
60.84134	0.5
61.98832	2.3
67.79138	0.4
69.83267	0.3
69.83559	3.0
71.01387	26.5
72.01739	0.6
72.99325	1.1
73.02952	7.7
73.04057	0.5
74.02484	1.7
75.00909	0.5
82.02991	0.6
83.01417	3.6
85.02961	9.5
85.03443	0.6
86.03301	0.6
87.00879	3.3
87.05666	0.8
88.04079	0.9
89.02459	4.8
89.03983	1.6
89.71646	0.5
95.01437	1.0
96.00919	1.1
96.96022	1.5
96.96980	0.4
97.02984	0.9
98.19834	0.4
99.00909	3.1
99.92590	1.0
101.02461	19.2
102.05655	0.5
102.15852	0.4
105.03474	2.6
111.00878	1.1
113.02466	8.9
113.03294	0.6
113.03577	0.5
113.07260	0.5
114.02006	0.9
115.00384	8.6
115.08788	0.7
115.92107	1.2
116.92871	1.0
117.09233	0.5
119.03523	0.9
119.05045	3.9
120.01272	4.1
121.02964	0.8
125.02477	1.2
127.05165	2.3
128.03566	4.4
129.01949	0.8
129.10365	0.8
130.08806	0.8
131.03510	1.0
133.01468	5.2
133.02977	8.6
134.03766	5.0
135.04552	4.0
137.02496	0.7
140.08304	0.5
143.03513	1.3
143.04619	0.5
145.06242	0.9
146.04626	0.7
148.01640	0.7
149.02469	1.0
149.06088	2.1
153.06772	0.5
157.96242	0.4
159.03000	1.9
161.04584	7.9
163.04044	9.1
164.04353	0.6
166.08765	0.6
171.07741	0.7
175.02516	9.1
175.03986	0.9
176.01205	1.3
177.01945	100.0
178.02382	6.6
179.03496	6.3
193.05078	11.4
194.05441	0.9
204.04309	1.0
219.02927	0.4
226.15625	0.7
241.11856	0.5
249.07603	1.3
272.08932	0.5
279.14481	41.7
280.14883	3.8
295.04477	0.7
411.18723	41.0
412.18954	4.8
427.23792	0.6
428.20737	0.7
457.03122	0.5
471.11343	19.1
471.26547	4.1
471.32971	0.7
471.34741	0.5
472.11713	2.9
472.17606	0.8
472.23767	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	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
58.00602	1.5
58.93645	0.5
59.01379	100.0
60.01722	1.4
61.98835	1.2
69.03463	1.6
70.02043	1.8
70.02467	1.3
71.01386	31.5
72.99324	0.9
73.02952	43.8
74.03284	1.0
83.01398	12.9
85.02959	5.2
87.00894	1.8
89.02453	9.8
95.01451	1.1
97.02984	1.1
99.00877	1.0
101.02456	44.9
102.02852	1.1
113.02457	14.4
119.03505	5.2
123.08209	0.9
125.02496	1.3
131.03531	3.4
138.06990	0.6
139.07704	0.5
143.03499	3.2
147.08243	1.0
149.04593	6.5
151.07646	0.7
152.08467	1.7
153.09244	11.0
155.03481	0.8
161.04565	11.4
161.77644	0.5
163.11223	0.7
165.09373	0.7
179.05626	1.4
187.11337	1.4
193.17004	0.5
203.05647	1.7
205.12343	12.0
206.12617	1.0
221.06798	2.6
223.13461	2.3
367.17584	2.8
385.18735	2.9
386.19232	0.8
427.19656	3.9
428.20068	1.0
471.28638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62024	1.4
57.03450	2.1
59.01380	100.0
60.01736	1.7
64.45274	1.7
71.01390	35.7
73.02954	46.2
75.03094	1.4
83.01393	12.3
84.73064	1.6
85.02956	6.7
89.02467	12.3
95.01399	2.3
101.02457	43.2
101.20445	1.5
106.17538	1.6
113.02483	13.7
119.03468	3.8
122.44672	1.5
131.03481	2.9
132.85432	1.4
135.08154	2.2
143.03519	2.8
149.04573	4.7
153.09229	7.5
161.04559	14.7
187.11250	2.0
205.12370	14.3
223.13464	2.1
230.62671	2.0
230.64729	2.7
331.47693	1.7
367.17636	8.6
368.18051	2.2
385.18622	7.3
386.18756	1.9
427.19678	10.1
469.82706	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	471.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24826	0.2
57.03439	2.5
58.00600	0.6
59.01380	100.0
60.01722	0.8
60.99326	0.3
61.98831	4.7
65.70528	0.3
68.72482	0.3
69.03474	1.2
71.01387	16.3
71.05038	0.9
71.73148	0.3
72.99326	0.8
73.02952	17.8
74.02502	0.4
75.00896	0.8
79.05571	0.4
81.03458	0.5
83.01401	6.2
83.05048	1.3
85.02956	2.1
87.00887	5.4
89.02457	3.0
91.05522	0.3
93.07126	0.4
95.01390	0.8
95.05058	0.7
96.00932	0.8
97.02953	0.7
97.06595	3.5
99.00919	0.6
99.04538	0.6
101.02457	13.9
102.02797	0.4
105.07175	0.3
107.05048	9.6
109.06588	0.6
111.04573	0.4
113.02463	5.7
113.06068	0.3
114.05672	0.6
115.00395	1.2
115.04037	0.4
119.03536	1.5
119.05068	0.7
120.05830	2.5
121.06613	0.6
123.04530	0.5
125.02448	1.2
128.03583	0.7
131.03513	1.1
131.05055	0.3
131.14899	0.3
133.01434	1.0
133.06595	0.6
133.10249	0.3
135.03012	0.9
135.04523	2.9
135.08163	0.4
137.09789	0.5
139.04030	1.0
141.05559	0.9
143.03505	1.2
146.07443	0.6
147.04512	0.7
149.04536	0.9
149.09633	0.3
151.07742	0.3
152.04784	1.2
155.03487	0.7
157.06599	0.9
157.10150	0.3
159.08119	1.1
159.11778	0.8
161.04604	2.7
161.09743	10.5
161.13391	5.7
162.10014	1.1
162.13693	0.5
163.11292	2.0
167.03496	0.9
169.10219	0.4
173.13440	0.3
175.02475	1.5
175.03957	1.0
175.11214	0.4
179.10707	0.8
185.09732	0.4
185.13354	0.7
187.11298	17.4
188.11604	1.1
189.09239	5.6
189.12843	0.5
201.06854	0.3
203.05493	0.6
203.10779	1.9
205.12354	6.9
207.10304	2.3
208.61102	0.3
219.03008	5.6
220.03256	0.4
221.06552	0.4
223.13394	52.9
224.13736	4.3
229.12328	1.7
231.10193	0.9
247.13290	0.3
249.11331	5.7
250.11444	0.6
258.68408	0.3
267.12363	51.9
268.12753	5.2
273.07556	1.3
281.13760	0.3
291.12170	1.0
309.13193	1.1
320.88257	0.4
347.41211	0.3
399.15863	0.3
435.13031	0.7
471.18045	11.7
471.29587	0.7
472.18130	1.4
479.51187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
59.01379	100.0
60.01717	1.4
61.98832	61.1
63.39766	0.8
64.75539	0.7
69.03463	2.0
69.45872	0.7
71.00987	1.5
71.01386	28.8
71.05032	1.3
71.74253	1.3
72.99315	2.8
73.02954	27.9
74.03259	0.8
75.00900	1.3
79.05533	2.7
83.01392	9.6
83.05058	1.6
85.02956	5.2
87.00874	4.1
87.04510	1.1
89.02464	5.1
92.45378	0.8
95.01386	1.4
95.05038	2.4
96.00967	1.1
96.96034	0.8
97.06577	2.0
99.00900	1.3
101.02456	18.5
107.05058	1.3
111.00909	1.0
113.02461	7.0
115.00369	2.8
116.82936	0.7
119.03522	2.1
120.05828	3.0
125.02462	2.0
125.06073	1.0
128.03584	2.0
129.02036	0.8
131.03510	2.0
133.01448	3.3
133.10266	2.8
135.03020	3.2
135.04556	2.5
135.11829	6.5
139.04037	4.9
143.03522	2.4
146.07385	2.4
149.04582	1.1
159.08246	1.4
159.11784	2.0
161.04570	3.7
161.09735	25.2
161.13387	1.9
162.10117	1.5
163.11281	2.2
175.02475	3.1
175.11253	1.3
176.96965	1.2
177.12810	1.0
179.03497	1.1
179.10782	39.9
180.11166	2.1
187.11298	4.3
189.09229	1.8
203.05643	1.3
203.10794	9.5
205.08702	1.0
205.12393	2.7
207.10278	1.8
207.13850	1.3
221.06516	1.0
221.11856	3.4
223.09779	22.9
223.13304	9.0
224.10086	1.2
249.14830	1.4
265.10843	1.4
267.12286	4.8
267.16022	1.8
281.13892	1.8
399.16632	1.3
427.16101	3.1
471.22601	9.0
471.34570	1.5
472.22083	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	471.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70943	0.3
59.01379	5.0
61.98813	0.5
70.72581	1.3
71.01390	8.1
73.02942	0.4
74.02461	0.7
82.03004	0.3
87.00876	0.8
87.05641	1.3
89.02496	0.4
93.03481	0.5
99.92581	0.3
101.02467	0.7
113.02485	0.4
113.07262	0.4
114.02009	0.3
114.05627	0.4
115.00391	8.2
119.05068	0.5
121.02962	1.3
127.05127	1.1
127.08741	0.5
128.03575	3.1
133.01451	3.3
133.02986	0.9
134.03760	37.0
135.04066	1.7
137.02460	6.2
139.04030	2.2
146.04633	0.7
149.06105	13.6
150.03285	0.7
150.06430	0.8
163.03998	1.1
171.07814	1.8
175.02507	0.8
178.02734	26.1
179.03117	1.6
193.05075	100.0
194.05400	6.1
194.89702	0.3
204.04260	3.5
205.04820	0.3
219.06616	2.5
249.07684	5.8
250.08272	0.4
267.06570	0.4
298.14063	0.5
298.51086	0.3
355.10373	20.0
356.10678	2.8
426.23599	1.2
427.18542	0.4
427.23856	0.5
437.10501	0.3
454.23132	0.5
470.26187	1.1
471.10605	0.4
471.20828	1.2
471.27005	1.8
471.33002	0.5
472.23926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00589	0.5
59.01381	100.0
60.01715	1.6
61.98833	11.3
69.03477	1.3
70.03014	0.5
70.37877	0.6
71.01389	19.8
71.05015	0.8
71.72505	0.7
72.99312	1.3
73.02951	15.6
74.63607	0.5
75.00886	1.0
78.95930	0.5
79.05556	0.7
83.01398	7.0
83.05054	1.6
84.01723	0.6
85.02965	4.2
87.00885	4.5
89.02455	3.8
95.01402	1.6
95.05056	1.7
96.00957	2.5
96.96078	0.7
97.02981	1.3
97.06617	1.7
99.00896	0.9
99.04521	0.9
101.02461	15.8
102.02803	0.6
107.05035	4.6
108.02181	0.5
109.06603	0.5
113.02457	8.0
113.06157	0.7
113.74956	0.4
114.05653	0.9
115.00414	1.9
115.04062	0.6
119.03534	1.6
119.05045	0.9
120.05813	0.8
121.06590	0.6
125.02485	1.8
125.06118	0.5
127.05202	0.8
128.03531	2.3
129.10422	1.3
131.03563	1.6
133.01479	1.2
133.10295	0.7
135.04553	2.2
135.08160	0.8
135.11853	1.9
137.06294	0.5
137.09760	0.6
139.04018	4.2
143.03506	1.2
146.07368	0.7
149.04611	1.0
151.11328	0.9
155.03674	0.5
159.08237	1.2
159.11856	1.7
160.95654	0.7
161.04608	2.0
161.09741	9.3
161.13399	2.6
163.11359	1.7
175.02516	2.3
175.04010	0.9
175.11261	0.5
177.05606	3.8
177.12944	0.5
179.03491	0.8
179.10800	9.5
179.12196	0.8
180.28958	0.4
187.11296	6.7
188.11777	0.5
189.09253	3.3
203.05661	1.1
203.10779	4.4
204.30945	0.5
205.12364	3.1
207.10335	0.9
219.02989	3.7
221.06480	0.8
221.11926	0.7
223.09959	4.8
223.13377	29.2
224.13853	2.2
229.12512	0.5
249.11398	2.0
249.15034	1.8
265.14557	1.0
267.12372	17.5
268.12817	1.2
320.09186	0.5
323.16071	0.6
355.08401	0.6
356.16513	0.5
375.20499	1.6
395.16342	0.7
411.20468	0.7
427.15991	0.6
439.15091	0.7
471.17798	3.2
471.22650	7.2
471.29404	1.0
471.35666	0.7
472.23468	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	469.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24342	1.5
55.01876	2.6
57.03453	1.7
58.00583	3.1
59.01379	79.1
61.98833	24.7
70.36855	1.8
71.01386	81.1
71.71185	2.6
72.99314	4.4
73.02961	12.7
74.02497	2.5
74.69844	1.6
83.01402	4.6
85.02967	14.6
85.46011	1.6
87.00890	3.2
88.04073	2.6
88.98820	2.1
89.02453	100.0
96.96027	4.4
99.00916	4.1
99.17448	1.6
99.92636	2.4
101.02451	51.4
113.02460	18.2
114.05650	2.6
115.00394	7.9
115.92097	5.2
116.92852	4.8
119.03529	10.1
125.02518	3.0
128.03574	3.0
131.03526	35.6
133.01472	20.0
135.02977	2.3
135.04568	6.8
138.05589	1.7
143.03519	2.5
149.04572	90.3
150.04979	2.4
161.04567	4.5
165.02029	2.2
167.26894	1.7
171.07884	2.7
179.03552	5.9
179.05661	3.0
191.05609	14.6
195.06764	2.0
206.02336	1.8
221.08366	2.3
242.96103	2.4
277.12881	8.8
307.08224	3.9
310.17645	1.8
311.10037	2.9
348.05899	2.1
409.17169	29.2
410.17316	2.9
469.24475	6.0
470.22708	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.6
71.01387	21.9
71.47063	1.4
72.99308	2.2
73.02943	1.2
83.01431	0.9
85.02959	1.4
87.00885	24.7
88.01209	0.9
89.02449	1.8
115.00392	71.2
116.00678	1.3
132.39635	0.8
133.01450	100.0
134.01799	2.3
134.03786	1.1
135.04543	20.0
175.02496	99.4
176.02808	3.5
179.03516	27.3
295.04596	5.0
352.16846	1.0
355.84143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
59.66448	0.2
60.94808	0.2
61.98832	100.0
65.46894	0.2
66.95707	0.2
71.01395	1.1
71.72396	0.2
71.72775	0.3
73.02952	0.4
85.02988	0.4
87.00925	0.3
88.98798	0.5
89.02448	0.3
96.00977	0.3
101.02459	0.5
112.19457	0.3
113.02499	0.3
116.64642	0.2
127.05084	0.3
128.03604	0.3
130.08784	0.6
131.52174	0.2
134.03760	0.2
135.04576	2.0
136.04872	0.5
137.23195	0.2
144.36775	0.2
154.99928	0.6
179.03575	0.5
243.12331	1.0
255.03163	0.3
262.97797	0.2
271.02472	0.5
285.13440	0.3
300.02628	0.4
330.59033	0.2
347.87085	0.2
349.64023	0.2
390.16992	0.2
392.02518	0.2
404.01801	0.2
405.17215	0.4
405.25369	0.5
459.12073	0.3
460.26819	0.2
467.62283	0.4
468.12320	0.4
468.21796	0.4
468.28668	0.5
469.22577	0.5
476.56903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	2.5
59.01383	9.6
61.98830	2.4
63.97668	1.2
64.07314	1.1
70.87519	2.6
70.87843	1.4
71.01404	2.1
73.02953	1.6
74.00293	1.1
74.02493	2.8
75.45792	1.0
81.04603	2.0
82.03002	3.0
84.00919	4.6
89.77705	1.2
91.22215	1.1
92.49465	1.0
97.04102	2.4
98.90786	1.1
99.01982	1.7
99.05564	1.3
101.02470	1.6
109.04091	2.6
110.14371	1.2
111.05573	1.6
111.21778	1.2
112.04052	1.4
113.03583	1.4
125.03588	39.5
127.05155	61.3
128.03558	100.0
129.03912	2.2
144.18283	1.2
144.71750	1.1
145.06210	5.2
152.24750	1.3
153.06711	1.2
157.06200	12.7
159.02348	2.4
159.07764	5.6
167.08398	1.5
181.06195	2.6
189.98502	1.7
191.05083	1.3
210.08870	12.9
236.06677	2.0
242.11551	1.7
268.09464	3.8
272.96561	1.2
286.10468	21.0
302.08340	2.6
303.25433	1.3
320.09219	96.3
321.09482	7.7
406.19775	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	468.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01136	0.4
59.01377	27.8
61.98830	88.4
70.02984	0.8
71.01387	5.9
73.02947	3.1
74.02447	0.7
83.01397	1.8
85.02975	1.0
86.59414	0.7
87.00902	1.0
88.04034	1.5
88.98814	1.2
89.02465	2.0
101.02454	3.8
103.04012	1.5
112.98830	1.1
113.02461	2.1
115.00415	2.3
127.05146	1.9
129.10318	0.9
130.08762	2.1
135.02966	1.0
137.98183	0.6
139.11304	12.3
161.04544	0.6
177.09219	1.1
181.12352	8.7
183.10274	19.8
184.10583	1.5
194.94452	0.7
199.13397	3.5
200.13861	0.7
203.07150	0.7
207.10274	0.7
207.14978	1.5
211.98502	0.6
223.10928	0.8
225.11317	6.5
243.12360	100.0
244.12714	6.4
247.13443	1.2
259.54837	0.7
285.13510	2.0
295.50061	0.6
321.06033	0.6
335.20786	1.1
349.77393	0.7
353.22018	2.6
354.20468	1.2
379.55325	0.6
393.03082	0.6
405.17538	28.0
405.25150	1.4
406.18005	2.8
468.23993	0.9
469.22870	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	465.2679
Annotation	Ramiflorine A
Peak:m/z	Relative Intensity
53.88020	0.3
58.42842	0.2
59.01385	0.8
61.98820	0.8
69.42736	1.5
69.43164	1.1
78.69306	0.3
78.95911	0.4
79.95754	1.6
96.96023	45.9
133.58603	0.2
152.99614	0.5
162.25206	0.2
171.60196	0.2
231.02260	0.3
255.23277	0.7
429.30161	0.5
444.51920	0.3
465.26788	100.0
466.27124	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
59.01381	4.7
60.01711	0.2
61.98832	100.0
63.99258	0.7
69.82576	0.4
69.82983	1.1
71.01387	3.5
72.01727	0.2
72.97492	0.2
72.99332	0.3
73.02959	0.9
73.04120	0.2
74.02465	0.3
75.00901	0.2
78.91904	0.5
80.91691	1.1
83.01411	0.4
85.02956	1.0
87.00877	0.3
87.06161	0.2
88.98838	0.5
89.02461	1.7
99.00860	0.3
101.02460	1.2
101.21570	0.2
109.02983	1.5
112.98860	0.3
113.02468	0.7
115.00378	0.5
118.18388	0.2
119.03549	0.6
119.05045	0.3
120.01310	0.4
123.04559	0.3
125.02541	0.3
128.03587	0.6
130.08653	0.3
133.01469	0.7
135.04536	1.1
137.02600	0.2
142.06647	0.3
151.00392	0.3
161.04594	0.4
175.02516	0.4
178.99899	0.2
179.05666	0.7
271.02713	0.3
281.04697	0.2
300.02856	0.3
305.16272	0.3
337.07950	0.4
367.19876	0.4
378.09625	0.4
385.08481	0.3
390.10828	0.6
397.09628	0.4
404.18777	0.6
405.21069	0.2
406.21704	0.6
407.23001	0.3
445.12634	0.4
458.11472	0.9
466.23047	0.4
466.62750	0.2
467.11588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54545	0.2
57.03448	1.0
58.00584	0.7
59.01380	100.0
60.01721	1.4
61.98834	2.4
67.01936	0.2
67.10860	0.3
71.01386	9.4
71.72626	0.4
72.01749	0.3
72.99341	0.3
73.02952	0.7
75.00870	0.4
78.95956	0.3
85.02957	1.4
85.70560	0.2
87.00897	0.7
88.04088	0.5
89.02452	12.7
93.03468	0.4
95.01438	0.3
96.96031	0.8
96.96986	0.3
99.92558	0.4
99.96018	0.3
100.55520	0.3
101.02457	6.1
101.03082	0.4
113.02458	4.4
113.03629	0.3
115.00423	0.7
115.92075	0.4
116.92899	0.8
119.03524	6.6
119.04309	0.4
119.05052	0.9
119.40894	0.2
125.02505	0.7
128.03578	1.0
131.03529	1.1
133.01483	0.8
135.04530	0.3
137.02480	0.3
139.00366	0.4
143.03532	1.6
149.04617	0.9
161.04550	2.6
167.10857	0.4
171.04550	0.4
175.02452	0.2
179.05629	5.0
180.06110	0.3
187.07664	0.4
213.05574	0.3
215.07304	0.4
241.05109	0.3
243.02992	0.6
243.16109	0.3
275.05667	0.3
285.04245	0.8
303.05466	0.6
343.16803	0.3
359.77966	0.3
405.21359	7.1
406.21585	0.7
422.17163	0.3
449.20721	0.7
465.10645	2.4
465.23596	1.2
466.10516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97546	0.9
59.01332	9.0
61.98834	11.0
70.46254	1.2
70.46651	1.4
71.01337	1.9
78.73470	0.6
78.95855	1.4
84.04541	0.6
84.60582	0.6
89.02441	0.7
91.74396	0.6
95.03736	1.0
95.04978	1.7
96.96007	0.9
101.02425	0.9
107.03706	1.1
114.05569	1.3
120.04522	1.5
121.05270	1.6
122.06133	7.3
124.07626	1.1
134.06172	4.3
136.07631	1.8
146.06070	1.3
149.08528	0.8
150.09268	4.1
152.99525	0.7
184.68097	0.7
211.08682	1.6
213.10292	1.4
223.08694	2.3
224.09435	2.5
225.10274	1.8
226.11002	2.8
227.11726	1.6
237.10222	2.0
238.10991	2.4
239.11922	5.0
241.13435	1.2
248.01117	0.5
251.11861	5.0
252.12560	2.5
253.13448	33.5
254.13849	4.1
267.11246	2.1
273.10419	0.7
285.12360	1.5
289.13379	0.7
301.03027	0.7
302.13388	0.8
303.10083	0.7
303.15131	0.8
304.14728	1.3
305.16641	1.2
316.10828	1.1
317.11661	2.3
317.16495	1.1
318.12436	2.6
318.15948	1.1
319.12936	1.2
329.11694	0.6
330.12421	2.3
331.13055	1.6
332.14011	5.3
333.14685	2.4
333.19559	2.4
344.13986	1.3
345.14661	1.1
346.15567	7.3
347.16095	2.1
348.17181	29.3
349.17441	3.7
360.17194	9.1
361.17706	2.5
362.18439	0.9
376.20276	18.9
377.20660	2.3
392.16141	0.7
402.18219	1.2
420.19269	100.0
421.19574	13.3
421.23901	0.4
446.17511	0.8
464.18268	45.6
465.18436	8.8
465.24554	0.6
473.99915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80198	0.1
59.01378	4.3
61.98831	100.0
71.01387	2.5
71.72331	0.2
71.72726	0.2
73.02939	0.9
74.02484	0.2
75.00881	1.3
78.95905	1.5
83.01408	0.5
85.02957	0.7
87.00896	0.3
88.04059	0.2
89.02447	1.4
95.01423	0.2
96.96981	0.3
101.02447	1.7
102.02809	0.2
102.43227	0.2
113.02483	0.8
115.00401	0.4
116.23750	0.2
119.03534	0.4
120.99702	0.2
128.03607	0.3
133.01462	0.5
143.03543	0.3
161.04579	0.7
163.04063	0.2
167.10815	0.2
179.05699	0.4
194.85149	0.2
207.85812	0.2
270.10684	0.4
271.07602	0.2
271.10883	0.3
272.11160	0.3
285.08749	0.2
303.08740	0.3
307.16000	0.2
333.15729	0.3
350.82828	0.2
367.71927	0.2
369.10364	0.2
376.11554	0.2
377.10699	0.3
404.15433	0.8
404.20227	0.3
405.21262	0.5
462.80450	0.2
464.22253	0.4
465.15353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88942	0.2
57.03446	0.4
59.01380	10.8
60.01722	0.5
61.98833	100.0
71.01392	5.4
71.01760	0.4
71.02505	0.4
71.72591	0.4
72.01719	0.2
72.99316	0.6
73.02954	0.8
73.04079	1.5
74.02477	1.4
75.00874	0.4
75.87481	0.2
76.37937	0.2
78.91892	1.4
83.01414	0.5
85.02956	1.4
85.06564	0.2
87.00889	0.4
88.04049	2.4
88.98827	0.4
89.02454	4.1
89.02985	0.3
95.01416	0.3
96.00896	0.2
96.96025	0.4
98.02512	0.2
99.00931	0.3
100.90654	0.2
101.02465	2.7
101.06056	0.2
102.02785	0.3
103.05158	0.4
109.02985	0.3
110.72083	0.2
113.02449	1.6
113.06112	0.2
115.00411	0.8
119.03528	1.1
119.05035	0.4
120.01295	0.3
125.02479	0.4
127.05148	0.2
127.07712	0.2
129.06693	0.2
129.09419	0.2
129.10379	0.8
130.08757	0.7
131.03557	0.2
133.01462	0.9
134.03816	0.3
134.25197	0.2
135.03032	0.2
135.04575	0.4
137.48123	0.2
140.07233	0.3
143.03534	0.5
143.11948	0.5
157.13499	0.3
159.03247	0.3
161.04572	0.8
166.06506	0.2
168.17943	0.2
169.09869	0.3
179.05644	1.6
186.29439	0.2
201.12413	0.3
208.13394	0.6
227.03517	0.4
241.07336	0.2
242.07753	0.5
255.03149	0.4
256.20370	0.6
273.09308	0.2
283.02325	0.2
284.03427	0.3
293.12518	0.8
313.22348	0.3
321.15781	0.2
357.21460	0.8
369.10052	1.6
369.60388	0.7
371.23212	0.3
401.18939	0.3
401.24063	6.6
402.24411	1.2
403.19846	0.3
404.20126	1.9
405.21368	1.7
420.15530	1.4
421.21457	0.4
428.25122	0.3
464.22363	1.8
465.19830	0.7
465.28006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80455	0.2
55.01866	0.6
57.03452	1.5
58.00597	0.4
59.01381	15.7
60.01719	0.2
61.01266	0.2
61.98827	1.0
64.10856	0.2
69.03466	0.5
69.43847	2.2
71.01387	12.6
72.99307	0.8
73.02949	1.9
78.95909	0.2
81.03448	0.3
83.01392	1.5
85.02961	2.9
86.00122	0.3
87.00883	2.1
89.02469	1.6
95.01396	0.7
97.02950	0.5
99.00896	1.0
99.92612	0.4
101.02459	3.5
102.34364	0.2
109.06613	0.2
109.16121	0.2
111.00903	0.5
112.01724	0.4
113.02466	2.5
113.09768	0.4
115.00408	0.2
119.03487	0.3
124.01682	0.9
125.02479	1.1
127.11302	0.5
144.04581	1.9
161.04567	0.4
211.20670	0.3
221.19122	12.0
222.19482	0.9
229.42500	0.2
235.36703	0.2
237.18600	0.5
239.20139	2.3
240.08116	0.3
240.20605	0.3
257.13043	1.5
257.21201	1.2
258.09164	0.5
258.13220	0.4
265.18091	8.4
266.18433	0.6
271.02441	0.3
283.19153	12.3
284.19437	1.4
297.20636	0.6
300.02774	0.7
301.03369	0.5
301.12250	1.3
301.20212	16.2
302.20541	2.0
305.07590	0.2
307.19073	0.3
313.20190	0.3
315.21738	0.4
325.20221	0.5
343.21164	0.7
403.23157	0.3
421.24225	0.5
427.23300	1.1
445.24451	4.0
446.24847	1.0
463.25485	100.0
464.25836	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98802	0.5
63.02406	0.5
65.00314	0.9
67.51624	0.5
68.96444	0.4
69.41380	2.2
69.41803	2.4
72.82441	0.4
73.48753	0.5
101.02457	0.5
107.01411	2.2
107.06016	0.4
108.02211	1.2
108.81033	0.4
109.02961	1.5
117.72799	0.4
121.02988	2.2
135.00912	0.7
139.04065	0.5
148.01704	1.4
151.00391	11.5
152.00862	0.5
163.00391	2.2
164.01175	0.6
169.01320	0.7
178.99896	6.2
179.41818	0.4
179.43857	0.4
180.00166	0.8
187.04179	0.6
192.00595	0.6
199.03915	1.0
201.05467	0.5
211.03963	0.8
226.02690	2.1
227.03554	2.8
229.05051	0.9
243.02985	10.1
244.03427	1.2
245.04526	1.3
254.02203	2.4
255.02983	23.5
256.03326	3.6
271.02472	57.2
272.02948	6.2
273.04007	0.9
283.02365	1.2
299.02026	0.9
300.02765	100.0
301.03476	51.5
302.03909	4.2
314.06268	0.5
343.04498	0.5
450.23697	0.4
463.08820	76.8
464.09189	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	463.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43031	0.3
57.03465	0.5
57.10558	0.4
59.01385	10.2
61.98831	1.7
69.46552	3.1
71.01386	3.0
73.02963	1.0
74.02470	2.1
80.05086	1.2
83.01400	0.5
85.02953	1.1
86.06116	0.3
87.00899	0.3
89.02452	1.0
93.31773	0.3
94.06651	0.5
96.08214	0.7
97.01711	0.5
98.20692	0.5
101.02462	1.9
106.06646	4.2
107.01370	0.4
107.59024	0.3
108.04569	16.9
109.04918	0.4
113.02456	1.0
119.03513	0.6
120.04614	0.7
121.05350	1.2
122.06132	1.2
124.07708	8.5
125.08035	0.4
133.01480	0.4
134.06088	0.4
135.04550	0.6
136.07697	37.0
137.08017	1.9
140.07187	0.4
150.05640	2.9
150.09232	0.3
151.00432	0.5
155.45308	0.3
165.04222	0.3
166.05080	0.5
166.83080	0.3
168.06691	1.3
169.06844	0.3
169.21671	0.3
170.15536	0.3
172.80649	0.3
175.02460	0.3
185.39122	0.3
198.14940	0.4
201.07967	0.4
211.06033	0.4
213.06793	0.4
213.13939	0.8
214.12372	0.8
216.13971	0.7
224.09538	0.7
227.08180	0.7
228.09064	0.9
229.13577	0.5
239.11803	2.1
242.10463	1.6
243.03229	0.3
244.13390	3.5
244.88890	0.3
255.03087	0.5
257.12952	100.0
258.13272	9.6
267.89642	0.3
269.12839	1.0
271.02487	1.0
272.13141	0.5
283.19031	0.6
285.12384	1.0
297.12521	0.7
300.02722	2.2
301.03848	2.1
301.11945	56.7
302.12274	5.5
313.11859	0.8
315.13501	23.4
316.13904	3.1
343.13007	22.3
344.13397	2.2
349.24997	0.4
373.14178	1.8
403.14935	0.7
432.29477	1.8
433.30051	1.1
445.24438	0.6
462.30771	3.8
463.08884	1.5
463.25433	12.9
463.31235	3.4
464.26071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2405
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01875	1.0
57.03444	0.7
58.00597	0.6
59.01382	96.0
60.01708	1.8
61.74334	0.3
61.98832	5.0
69.03466	0.6
71.01388	20.8
71.05039	0.4
72.99312	1.6
73.02953	14.9
74.02477	0.3
75.00904	0.4
78.95927	1.2
83.01401	5.1
83.05012	0.3
84.01720	0.4
85.02962	3.4
87.00907	1.4
89.02450	7.0
95.01404	1.2
97.06638	0.3
99.00902	1.0
100.87797	0.3
101.02458	13.4
102.02808	0.4
109.42647	0.3
111.04568	0.3
111.08150	0.4
111.46137	0.3
113.02468	5.0
113.81519	0.3
115.00388	3.8
119.03503	2.1
119.05005	0.5
125.02498	0.6
128.03566	0.5
129.02017	0.3
131.03531	0.8
133.01456	10.5
135.04561	2.5
143.03479	0.9
143.04552	0.4
147.04474	0.3
149.04631	0.7
154.99872	3.1
156.00218	0.4
157.00301	0.5
161.04576	1.3
167.01794	0.4
175.02454	0.6
179.03508	1.4
179.05693	0.6
197.09825	0.5
214.65388	0.3
221.06192	0.3
221.15527	0.9
239.16640	1.7
301.10764	0.9
383.20789	0.5
401.21597	3.2
417.19199	0.4
419.22803	5.8
420.23102	0.7
443.22861	4.6
461.23923	100.0
462.24274	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34973	1.2
59.01380	16.5
61.98828	6.7
66.16714	1.4
69.54089	12.1
71.01387	25.7
72.99325	1.7
89.02447	1.4
101.89468	1.4
115.00389	47.0
119.05045	58.6
120.05389	3.9
133.01450	100.0
134.01801	2.1
139.38057	1.4
152.96317	1.4
159.72963	1.4
163.04030	64.0
164.04343	2.7
182.00978	2.6
197.02792	91.9
197.48207	1.7
198.03116	6.3
271.02316	3.9
279.05042	3.6
300.02774	4.1
301.03619	2.2
313.03857	2.5
400.89703	1.5
461.25339	2.0
462.25821	5.2
463.08838	4.5
463.27206	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03448	11.8
58.00583	1.5
59.01381	60.4
60.55033	1.0
61.98824	2.7
69.82864	3.6
69.83276	3.7
71.01386	41.3
72.99306	2.3
73.02954	7.1
73.38596	1.1
79.05045	1.0
81.03515	1.0
83.01395	2.4
85.02960	9.7
87.00883	3.9
89.02455	26.2
93.03478	2.6
95.01415	2.3
96.96011	1.6
97.02991	1.7
98.20571	2.6
99.00909	2.1
101.02466	19.7
101.18144	1.0
113.02477	13.2
115.00394	14.4
118.90436	1.0
119.03518	8.4
119.05028	4.6
120.99659	2.7
121.03006	1.5
123.08134	6.5
128.03569	1.8
131.03473	2.1
133.01448	24.2
133.06607	3.3
134.03761	1.3
135.04538	7.1
135.08224	2.0
143.03493	4.0
147.04477	1.1
148.05316	2.0
149.04602	2.5
151.07658	19.8
152.07957	1.4
159.03033	1.4
160.08940	1.7
161.04568	18.7
161.09705	5.8
163.03947	1.7
163.07686	15.9
165.09215	7.9
168.07976	1.6
173.09772	1.1
177.09225	4.6
179.05638	9.4
179.10829	12.1
188.08455	6.3
191.10893	1.1
197.09731	8.2
203.10788	54.3
204.11101	3.7
213.12642	1.3
221.11832	100.0
222.12210	8.2
239.10818	3.2
241.08730	3.1
257.11829	4.3
283.09747	2.4
301.10742	12.5
302.11099	1.8
345.09839	12.8
346.10040	1.2
383.17252	3.5
397.54395	1.2
401.18167	8.7
461.16412	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97561	0.6
59.01378	100.0
60.01712	0.7
61.98830	4.6
71.01379	2.7
73.02960	1.2
73.04090	0.8
78.95923	1.0
83.01395	0.4
85.02951	0.7
87.00896	0.3
89.02462	0.6
97.06628	0.7
101.02445	1.5
109.51575	0.3
111.04518	0.4
113.02470	0.7
115.00391	0.7
119.04994	0.4
120.01331	0.7
133.01474	1.3
146.06149	0.9
153.12860	5.7
156.47226	0.3
179.10774	2.3
197.11842	11.7
198.12262	0.7
205.04454	1.1
205.06470	0.4
220.10953	0.9
229.67822	0.4
245.00888	0.3
296.12827	0.3
301.10764	0.6
327.21674	0.6
338.80182	0.3
385.26129	0.4
419.27246	0.4
461.25415	1.5
462.26682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	14.3
59.01383	50.6
59.04856	1.2
60.01736	1.3
60.84535	1.3
61.88617	1.1
62.05547	1.4
69.80763	10.4
71.01388	34.9
72.99317	3.2
73.02954	7.1
77.48009	1.3
83.01415	1.8
85.02962	14.2
87.00870	3.3
89.02451	26.8
95.01404	2.2
99.00900	1.8
101.02457	18.6
109.02935	1.4
113.02459	16.0
115.00398	8.0
119.03529	9.3
119.05011	4.1
123.04490	1.3
123.08164	6.1
133.01434	13.0
135.01778	1.4
135.04506	6.0
139.07637	1.6
142.30707	1.4
143.03508	1.9
147.04427	1.7
148.05299	2.4
151.07678	17.7
159.03049	2.3
161.04584	17.4
161.09760	6.5
163.03951	1.7
163.07690	16.3
165.09238	5.9
168.07973	1.4
173.09604	1.7
177.09186	5.5
179.05626	7.5
179.10783	13.0
188.08406	8.2
197.09711	3.2
203.10785	57.9
204.11095	4.6
208.75688	1.4
221.11838	100.0
222.12166	8.3
241.08719	2.7
257.11685	3.0
270.81314	1.2
279.38727	1.6
301.10733	6.4
306.71127	1.4
345.09790	10.8
383.17102	5.8
401.18292	8.0
402.18704	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19823	0.5
52.32276	0.5
54.74313	0.6
55.01878	18.0
57.03444	1.6
57.81873	0.7
59.01382	43.8
61.98822	3.4
65.00344	0.8
69.67731	2.0
69.68159	2.6
71.01380	9.9
72.99316	1.4
73.02961	3.8
74.02502	0.7
75.00877	1.0
83.01395	9.2
85.02959	2.5
87.00883	2.6
88.04012	0.6
89.02458	2.7
99.00893	0.7
99.04531	0.7
101.02454	4.3
111.00906	2.2
112.98846	1.6
113.02465	2.2
115.00387	4.4
116.07239	0.8
117.01956	1.1
117.03432	3.2
119.03559	1.1
127.00410	1.9
129.01961	1.1
133.01457	4.4
135.00891	0.8
135.04576	1.0
136.98772	1.0
142.99870	0.9
143.04570	0.7
147.03044	1.0
154.99884	100.0
156.00262	2.9
161.04617	0.9
163.00351	5.4
164.98363	1.8
173.00871	0.6
175.02484	1.4
183.04559	1.6
195.10231	0.9
197.09706	1.0
207.13919	1.6
209.11812	2.0
211.04010	1.4
225.15071	2.9
227.03525	2.4
227.10735	0.6
227.12904	10.7
228.13216	1.0
255.02983	53.1
256.03394	5.6
268.03711	1.0
269.04523	4.7
269.13937	2.5
279.42508	0.6
283.02478	69.8
284.03116	15.2
285.03989	5.2
287.14987	28.3
288.15280	2.8
297.04022	14.6
297.12323	1.3
298.04779	11.8
299.05530	7.9
301.10849	2.6
313.03546	2.3
345.09769	1.4
401.21857	0.8
417.17596	1.6
418.17999	0.8
443.15671	1.0
446.02805	1.1
446.08609	12.3
447.09067	1.0
461.10880	95.8
461.24359	12.1
462.11267	14.5
462.24869	1.4
462.30655	1.1
486.30612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65674	0.3
57.03449	0.5
58.62793	0.3
59.01381	44.5
60.01711	0.4
61.98832	3.8
70.50264	1.2
71.01388	25.7
72.01720	0.6
72.99312	4.2
73.02948	1.3
74.02509	0.4
74.80031	0.3
75.00905	0.5
83.01378	0.5
85.02966	0.8
87.00892	1.6
89.02455	3.2
93.03472	2.6
96.00935	0.9
98.17910	0.3
99.00869	0.5
101.02460	1.5
103.26305	0.3
106.33077	0.3
108.04546	0.5
113.02479	0.8
114.01997	0.4
115.00390	57.5
116.00732	1.2
119.05044	3.5
122.06160	0.7
124.07699	0.6
129.02002	0.4
133.01454	100.0
134.01765	2.4
135.04517	0.9
136.07701	1.0
143.07153	0.8
149.06111	3.1
154.99911	0.6
155.84560	0.4
159.08231	0.4
162.02345	0.8
163.04048	1.1
168.06641	0.8
169.06648	1.5
175.02507	0.8
177.12851	0.4
179.10710	0.7
182.07410	4.4
183.08070	1.0
195.08148	1.6
195.13974	2.2
196.08821	0.5
197.09737	36.7
198.10107	3.4
211.11281	4.9
212.11813	0.7
213.12871	7.5
213.14900	0.5
225.09302	0.4
227.10776	2.1
227.12938	0.8
227.98790	0.3
239.12950	0.7
241.08650	2.2
245.11749	1.0
255.11345	0.4
257.11816	11.1
258.12234	1.6
285.04025	0.4
287.15021	2.9
301.10815	65.5
302.11182	7.1
303.13336	0.6
315.34079	0.4
339.33246	0.3
345.09805	19.5
346.10150	2.4
461.10553	1.2
461.19962	5.2
461.28839	0.7
462.20956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24297	0.7
55.01881	3.5
57.03442	3.9
58.00584	0.7
59.01379	60.6
60.01708	0.8
61.98829	1.7
64.48787	0.7
71.01383	67.4
71.85522	0.8
72.99320	4.3
73.02949	21.0
75.00883	1.5
83.01395	10.9
85.02959	25.9
86.00101	0.8
87.00881	3.4
88.04044	1.7
88.98811	0.8
89.02453	9.0
93.03495	1.8
95.01411	3.5
96.96038	1.2
97.02981	1.9
99.00893	10.0
99.04521	1.0
101.02451	43.3
101.07163	1.0
102.02791	0.9
107.05048	1.1
109.02960	1.3
111.00906	0.9
113.02463	23.5
115.00385	26.8
116.00690	1.1
119.03565	1.4
119.05048	5.8
121.02934	0.9
125.02431	2.5
125.56374	0.9
127.05164	1.8
128.03564	1.3
129.01932	2.4
131.03534	2.7
133.01447	42.5
133.06612	3.1
134.01746	1.0
135.04521	1.2
139.00359	0.9
143.03529	3.5
143.12930	0.8
145.06216	1.7
149.04567	1.9
149.06078	1.6
157.01442	2.0
159.03018	5.2
160.06662	0.8
161.04572	28.9
163.04041	2.1
165.09200	1.8
175.02458	2.9
179.05635	1.0
182.07384	1.3
185.09460	1.9
195.08202	1.1
197.09702	13.2
198.10127	1.7
203.10735	1.2
205.03586	1.0
206.03659	0.9
211.11331	1.4
213.12865	3.0
221.11905	2.1
222.12540	0.8
239.10818	4.1
241.08669	5.5
243.12384	1.3
257.11884	7.7
269.10284	100.0
270.10635	7.9
283.09805	2.2
293.08911	1.0
301.10809	21.4
302.11145	2.4
303.14511	2.9
327.08783	1.6
345.09781	13.9
346.10126	1.8
353.56424	0.8
401.14499	79.3
402.14856	9.3
443.19559	0.9
461.16092	3.2
461.21637	4.7
462.21475	1.5
470.37448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14980	0.6
59.01379	38.1
61.98519	0.6
61.98826	3.9
62.40834	0.5
69.05529	0.6
70.10212	3.2
71.01389	26.4
72.99307	4.0
73.02937	1.3
73.32214	0.6
78.88084	0.6
80.05430	0.6
86.42179	0.6
87.00912	0.9
89.02454	2.8
93.03481	2.0
101.02470	0.9
107.09605	0.5
115.00387	54.5
116.00700	1.3
119.05046	2.3
120.38212	0.6
133.01448	100.0
134.01788	3.5
149.06120	3.2
156.05968	0.6
169.06595	2.2
182.07410	5.1
183.08109	0.8
185.09785	1.5
195.08134	1.5
195.13916	0.8
196.08917	0.9
197.09731	34.9
198.10080	3.0
210.36208	0.6
211.11287	4.8
212.12036	0.8
213.12828	6.7
227.10855	2.1
241.08691	10.8
245.11838	2.4
257.11841	15.9
258.12170	1.4
273.82687	0.7
301.10803	51.0
302.11084	4.5
345.09802	22.7
346.10086	2.1
375.83655	0.6
461.10941	1.3
461.19604	0.9
478.00220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03448	1.1
58.00572	0.4
59.01382	100.0
60.01718	1.5
61.01818	0.2
61.98835	1.2
67.01898	0.2
68.99818	0.1
69.03455	0.5
70.03017	0.1
70.66315	0.1
71.01389	14.8
71.05046	0.2
71.72451	0.2
72.01727	0.5
72.99322	0.6
73.02953	8.2
74.03290	0.2
75.00880	0.3
81.03467	0.3
81.06482	0.1
83.01400	4.2
83.05048	0.5
84.01714	0.2
85.02963	4.3
87.00891	1.8
87.04522	1.0
89.02460	3.8
93.03471	0.2
95.01399	1.0
96.00933	0.3
97.02967	0.4
99.00908	1.4
101.02458	8.5
102.02814	0.4
106.06724	0.1
109.02947	0.2
111.00880	0.7
112.98846	0.6
113.02473	6.4
114.02058	0.2
114.02843	0.3
115.00398	2.0
116.92895	0.7
117.01936	0.2
119.03506	1.1
119.04993	0.2
123.04607	0.2
125.02475	0.6
126.98335	0.1
127.00395	0.1
128.03575	0.2
129.01949	0.3
131.03539	0.5
133.01445	4.3
135.04535	0.5
136.07623	0.2
142.99875	2.4
143.03513	0.6
145.01527	0.2
147.11807	0.3
149.04674	0.2
149.06050	0.3
154.99889	15.5
156.00201	0.5
159.04543	0.2
161.04593	2.7
173.00943	0.9
173.13370	0.2
175.02361	0.2
177.18353	0.1
179.03569	0.2
179.05699	0.3
187.11287	0.3
188.04855	0.5
190.06462	0.2
191.03537	2.1
191.07175	0.2
203.03311	0.2
219.13898	0.4
223.13419	0.5
229.12285	0.4
237.15038	1.1
238.09285	0.2
245.15384	0.2
247.13336	0.2
255.10339	0.6
255.16080	0.2
255.19717	0.4
267.09521	0.2
267.12314	0.7
271.10547	0.2
271.13345	1.8
272.13675	0.1
273.11334	1.9
274.11615	0.3
289.14520	0.5
291.12424	0.7
297.07770	0.8
299.13989	0.3
310.78040	0.1
315.12402	0.4
333.13315	0.3
333.20251	0.2
343.11343	0.3
357.19235	0.3
377.19330	0.2
381.19287	0.2
399.19958	1.2
399.24368	4.2
400.24344	0.6
415.90430	0.1
417.20239	2.2
417.25177	1.5
418.21054	0.2
418.25818	0.2
423.12772	0.7
429.27032	0.2
441.21362	1.2
442.22162	0.2
459.22296	35.9
460.22681	6.0
460.28329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50996	0.2
52.36298	0.1
52.58247	0.1
55.01883	0.8
57.03448	0.9
58.00589	0.5
59.01381	100.0
60.01714	1.5
61.01799	0.2
61.98837	1.2
63.67179	0.1
68.99825	0.2
69.03474	0.2
71.01386	10.5
72.01732	0.3
72.99321	0.5
73.02956	3.7
74.02482	1.4
75.00892	0.2
83.01397	1.7
83.05044	0.3
85.02966	3.2
87.00885	1.0
89.02455	6.0
90.02850	0.2
95.01373	0.9
97.02976	0.3
99.00915	0.8
99.04507	0.4
101.02455	8.8
111.00924	0.4
113.02461	3.9
115.00402	0.4
115.15515	0.2
116.55190	0.2
116.92873	0.5
119.03531	2.3
119.05003	0.2
125.02459	0.3
125.06141	0.2
127.05185	0.2
131.03502	0.2
133.01454	0.4
135.03053	0.3
135.04553	0.3
142.99895	0.2
143.03499	0.4
149.04646	0.2
154.99893	2.5
159.02931	0.2
161.04607	0.8
179.03506	0.4
179.05600	0.2
184.13371	0.2
193.12312	0.2
195.13914	0.2
233.04503	0.2
237.14978	0.2
257.51566	0.2
267.12125	0.2
271.13434	0.2
272.61429	0.2
273.11374	0.2
294.86435	0.2
297.12421	0.3
357.19189	1.6
381.18912	0.2
399.20120	2.3
399.24838	0.2
400.20425	0.2
417.21286	3.3
418.21729	0.4
427.15158	0.2
430.28076	1.1
441.21304	3.4
442.21753	0.4
459.22348	94.8
460.22678	15.1
460.29120	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	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01642	1.2
55.01881	14.2
57.03440	2.8
58.00587	0.9
59.01379	87.3
61.98813	3.9
69.50427	3.9
69.50861	5.8
71.01385	23.0
72.99297	1.7
73.02943	12.6
83.01394	13.1
85.02969	11.4
86.26662	0.9
87.00880	2.8
89.02438	6.3
95.01427	1.1
99.00893	3.4
101.02452	17.4
101.27312	0.8
109.91695	0.8
111.00925	1.7
112.98731	2.2
113.02486	8.4
115.00379	2.5
116.92889	1.3
117.01976	1.3
119.03513	2.2
119.05061	1.1
125.02471	1.3
127.00377	2.4
133.01450	2.5
142.99870	4.9
145.01540	1.0
154.99884	100.0
156.00224	4.9
167.01724	2.6
169.27724	1.0
173.00859	1.6
182.93517	1.0
191.42007	0.9
193.12195	1.1
211.13383	1.0
223.13377	3.6
237.14897	2.7
267.12296	3.6
271.13284	1.4
355.17657	4.6
356.17621	1.1
373.18817	17.3
374.19193	1.7
399.23917	2.1
415.19724	74.9
416.20038	8.8
423.12732	2.1
459.22183	17.9
459.27637	1.6
460.22614	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	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98834	0.3
67.59893	0.2
70.04607	0.4
70.05019	0.7
71.01391	0.5
73.02953	38.6
74.02471	0.2
74.03281	0.9
87.00872	0.2
89.02441	0.3
92.96015	0.2
93.25734	0.2
96.96013	0.6
99.00893	4.5
115.00400	0.5
116.92881	3.1
117.01956	100.0
117.92884	0.3
118.02303	2.6
118.05152	0.2
128.03584	0.3
133.01476	0.4
135.04573	0.4
145.09940	0.2
169.77831	0.2
175.02556	0.3
179.03505	0.4
181.99283	0.2
183.81548	0.2
183.85179	0.2
223.16023	0.2
255.10152	0.9
341.10800	0.4
343.08118	0.4
459.27695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43039	0.2
59.01381	0.6
60.88297	0.2
69.44612	2.0
69.44930	0.3
71.01378	1.0
72.00908	0.3
73.02954	40.0
74.00305	0.2
74.02470	0.3
74.03296	0.9
75.50600	0.2
89.02459	0.3
98.20648	0.4
99.00893	4.8
101.02502	0.2
103.63770	0.2
115.00420	0.4
117.01958	100.0
118.02291	2.6
118.05125	1.3
119.03506	0.3
133.01517	0.4
135.04547	0.8
137.31862	0.2
140.35135	0.2
163.04005	0.2
163.49127	0.2
179.03470	0.8
213.67133	0.2
255.10316	0.6
341.11066	0.9
342.11145	0.3
343.08167	0.4
425.88513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93452	0.3
57.97546	0.7
59.01374	0.6
63.96241	0.4
71.01383	0.9
71.07397	0.5
71.07738	0.8
74.98669	0.5
74.99102	11.0
74.99507	0.8
77.11765	0.4
79.95743	7.5
80.42425	0.4
80.96530	1.1
87.69421	0.4
95.40977	0.4
95.95241	61.3
96.96020	100.0
101.02464	0.6
109.02927	0.4
115.00368	0.7
119.97616	0.5
128.93230	1.4
133.01419	0.9
135.04558	1.0
135.97160	2.1
138.97073	0.8
146.02386	0.5
148.04054	0.5
164.03578	1.2
168.95131	1.4
179.03403	0.5
195.03445	0.4
198.02354	0.5
220.95990	0.4
239.56973	0.4
246.00763	1.0
255.10243	1.1
259.01260	1.7
260.82407	0.5
262.00546	0.5
287.99197	0.4
331.00299	0.5
343.08136	0.9
369.33847	0.4
408.04282	9.3
409.04575	1.4
424.03571	0.7
440.03336	2.4
440.21167	0.5
458.04306	17.0
458.22495	1.7
459.04648	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	457.3688
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
51.78743	0.2
53.77094	0.1
59.01368	0.2
61.98843	0.3
71.27779	0.3
73.26754	0.2
114.39884	0.2
116.92902	0.2
159.15498	0.2
161.40668	0.2
172.39328	0.2
198.51524	0.2
231.43579	0.2
359.15439	0.3
371.33218	0.2
392.91104	0.2
402.08176	0.2
455.50903	0.2
457.36841	100.0
458.37180	20.3
470.33453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3689
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
52.00624	0.2
57.03442	0.6
61.98823	0.8
66.03345	0.3
67.39987	0.2
71.05301	0.6
71.05653	0.4
78.14557	0.2
81.43307	0.2
89.71526	0.2
117.79591	0.3
142.35934	0.2
222.44664	0.2
246.98550	0.3
328.85907	0.2
400.54150	0.3
457.36871	100.0
458.37216	19.1
473.14236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
58.02978	4.4
59.01378	34.5
61.98844	0.6
69.55804	3.3
70.02962	0.4
71.01385	9.7
71.01759	0.7
72.99311	0.6
73.02947	13.6
73.04076	7.3
74.02482	0.6
74.03319	0.5
83.01396	3.9
84.04593	0.4
84.08179	0.4
85.02965	1.6
86.02471	0.4
87.00874	2.8
87.05654	1.6
88.04041	0.8
89.02477	2.0
89.02924	0.4
93.03476	0.6
97.04075	2.5
98.02487	5.4
101.02453	10.4
101.03086	0.7
105.50505	0.4
111.00873	0.3
113.02448	2.7
115.00399	0.8
115.05148	22.3
116.05530	0.6
119.03497	0.9
119.05058	0.6
122.09756	0.3
129.10368	6.1
130.08755	60.1
131.03539	0.9
131.09097	2.2
133.03973	2.2
135.02991	0.4
139.08809	0.7
140.07217	0.4
140.10849	2.4
141.10333	0.7
143.03523	0.6
143.05013	0.4
143.11932	1.7
147.11827	2.2
149.04558	0.7
151.08783	1.8
152.07251	0.8
153.10260	0.6
155.11905	1.5
157.13480	22.1
158.13837	1.3
161.04562	1.6
166.08745	1.7
167.11940	1.0
168.11458	2.3
169.09793	0.8
171.11499	0.4
173.13362	11.4
174.13721	1.0
179.11897	0.7
180.33292	0.4
182.13017	0.5
183.11391	3.2
185.12958	0.7
186.12437	2.3
191.14433	0.5
199.18083	0.5
200.13997	0.9
201.10617	0.7
201.12465	9.5
202.12801	0.5
210.12511	5.0
211.10930	0.5
214.15668	0.8
223.13405	0.5
224.09416	6.8
228.13513	1.5
235.13371	10.1
236.13699	0.8
238.15639	1.8
256.20294	0.4
265.08585	0.6
270.21838	19.9
271.22076	1.7
282.14664	0.7
292.20282	0.5
314.20850	2.0
327.24023	7.2
328.24289	0.8
341.10330	1.4
369.25140	1.1
371.23071	1.0
413.24054	100.0
414.24319	12.7
439.25565	1.8
457.20697	6.2
457.26672	18.4
458.20963	1.0
458.26968	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71141	0.3
55.01880	0.5
57.03452	1.0
58.00596	0.6
58.03011	0.3
59.01381	100.0
60.01721	1.4
61.98830	3.6
69.03471	0.7
71.01387	30.5
71.05039	0.5
71.72463	0.4
72.01723	0.8
72.99319	1.1
72.99915	0.4
73.02952	15.3
74.02490	0.4
74.03288	0.4
75.00879	1.0
78.95937	0.7
83.01399	4.8
83.05029	0.7
85.02960	3.9
87.00891	2.0
87.04505	0.4
87.05647	0.8
89.02463	5.8
93.03470	8.1
94.03864	0.3
95.01413	1.0
96.00916	1.8
96.96019	0.4
97.02938	0.5
97.06614	0.4
98.02492	0.6
99.00898	1.0
101.02458	14.9
101.14751	0.3
102.05564	0.4
109.03055	0.3
111.08205	0.4
113.02464	7.4
113.03622	0.7
115.00393	11.9
115.08788	0.7
116.00765	0.3
117.03501	1.8
119.03575	2.2
119.05042	8.9
120.99628	0.6
121.02967	3.6
123.04532	0.5
125.02467	0.7
125.06128	0.3
128.03569	0.7
129.03951	0.3
129.06717	0.9
130.04228	0.4
130.08774	1.3
131.03543	1.5
131.05054	0.7
133.01440	3.7
133.02975	0.4
134.03708	0.3
135.00003	1.0
135.03038	2.0
135.04604	0.7
140.07213	0.5
143.03529	0.7
143.05051	8.5
143.11880	0.5
144.05318	0.7
145.02968	6.0
145.06639	0.4
145.09837	0.6
147.04543	0.6
147.11748	0.4
149.04568	0.9
149.06163	0.4
151.08791	0.9
152.07210	1.0
154.99889	0.5
155.03459	0.4
159.04541	1.2
161.02463	0.6
161.04594	3.1
163.04024	2.1
167.07195	1.6
171.04489	2.5
173.13368	6.7
174.13737	0.5
175.02562	0.6
177.05586	6.4
178.06010	0.5
179.03526	1.0
179.05739	0.7
195.07924	0.9
203.07201	0.7
205.70346	0.4
212.10579	0.6
215.03697	0.4
222.06847	1.2
222.12462	0.5
223.07617	3.1
223.13477	0.7
224.16803	0.3
235.07672	4.2
235.13358	2.2
236.08301	1.2
237.09216	13.0
238.09508	1.4
240.13503	0.7
247.05864	2.5
250.06180	0.5
253.11024	0.4
253.18205	0.3
255.11269	0.3
263.06955	0.6
264.07907	1.0
265.08679	18.8
266.08960	2.0
276.91290	0.3
281.08133	0.4
297.11176	1.5
309.07605	0.7
339.18143	1.2
341.10315	68.8
342.10645	9.3
342.22873	0.4
385.14856	0.5
397.18561	0.8
397.22565	0.9
413.23996	2.1
415.19571	1.0
415.24030	0.5
422.22830	2.2
439.20093	0.5
439.25647	2.2
440.26321	0.4
457.20813	22.1
457.26373	2.3
458.21112	3.2
458.26892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
57.03439	1.2
59.01369	0.6
61.98827	0.4
69.91017	1.3
69.91434	0.9
83.05007	0.5
87.35590	0.3
115.91292	0.5
115.92085	5.2
116.92896	0.4
150.34219	0.3
395.33493	0.9
428.03851	0.4
455.35284	100.0
456.35605	20.6
465.24982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1778
Annotation	minocycline
Peak:m/z	Relative Intensity
55.01866	1.6
57.03439	0.9
59.01128	0.7
59.01382	9.3
61.98840	3.2
70.03002	0.8
71.01389	8.5
71.68659	0.7
71.68994	0.6
72.00910	8.7
72.99305	0.7
73.02943	2.3
74.02484	3.1
78.95892	0.6
82.02982	1.0
83.01389	1.9
85.02965	2.8
87.00877	1.1
89.02464	3.0
93.03479	6.2
96.00939	0.8
96.04559	0.7
96.38652	0.6
96.96011	2.1
96.96967	0.8
97.02940	1.1
97.66414	0.5
98.02522	0.7
99.92560	3.6
101.02454	3.4
104.03625	0.8
107.05002	0.7
109.02967	3.4
109.04070	0.7
111.00848	1.1
113.02464	4.1
113.03616	1.3
113.07227	6.3
114.04810	1.2
114.05627	20.7
115.00391	4.7
115.05991	0.9
116.92879	41.3
117.03465	1.6
119.03497	0.8
119.05035	6.2
120.01264	1.9
120.05338	0.6
125.03561	0.9
127.05114	4.3
127.08778	1.4
128.03542	2.2
133.01450	5.5
133.06612	12.8
134.03711	0.9
134.06042	0.7
135.04547	15.0
136.07687	1.2
138.05630	1.2
143.05013	1.2
145.02969	8.8
145.06540	0.8
146.03706	0.8
147.04562	1.2
149.06195	0.7
153.06694	1.6
154.99915	4.4
159.04553	1.1
159.06563	0.7
161.02464	0.9
161.04568	1.5
161.06067	2.6
163.04037	2.9
171.07791	9.9
172.05299	0.8
173.06056	1.8
174.85802	0.6
175.03983	0.9
177.01941	1.8
177.05498	1.4
179.03517	11.7
179.05266	0.9
179.05598	0.7
179.07086	1.4
181.06618	1.0
185.06091	0.8
187.04041	1.1
189.05505	1.7
189.09209	1.2
191.03369	0.6
195.08134	1.3
197.06071	2.2
197.09705	4.6
199.07584	1.2
203.03453	1.3
203.07126	2.5
205.05040	2.5
206.07301	0.8
207.08202	1.6
208.07629	2.5
209.06108	3.0
211.07672	5.6
212.08360	1.2
214.06364	0.7
215.07181	5.4
217.04881	0.8
218.05771	1.1
221.04515	0.7
221.08359	0.9
222.09167	2.2
223.07686	4.8
224.08398	7.2
224.10806	3.4
225.09192	5.2
225.11139	1.0
226.08678	1.3
226.15567	1.6
233.08224	7.7
234.09258	3.1
235.09746	1.0
236.06795	1.7
236.09116	0.6
237.09167	1.9
239.09483	1.7
240.08028	1.0
240.10294	9.0
241.10934	2.4
242.11702	1.7
244.07381	1.2
247.06081	1.8
250.06276	0.8
251.09352	3.4
252.10243	4.4
253.08691	1.3
256.07404	8.4
257.07709	1.1
259.05994	3.8
263.07065	1.0
265.12750	1.0
267.08987	1.6
267.11417	1.6
268.07196	1.2
268.09790	1.9
269.12912	2.2
271.08459	3.6
273.09952	3.6
277.07080	2.4
278.08154	3.3
280.09747	1.0
281.08231	0.8
284.09174	0.9
285.10184	1.4
286.10880	1.2
295.10849	4.1
296.09045	3.6
297.07651	0.6
299.07901	1.9
300.06229	2.0
300.08838	2.1
301.12762	0.8
305.12766	1.0
306.07816	0.7
313.11853	4.4
317.09097	3.6
321.15964	1.1
322.14383	0.8
323.10345	1.4
324.08649	1.2
331.14423	1.2
333.16095	1.3
341.08862	4.7
341.18079	0.9
349.15842	1.0
351.17139	3.4
366.18265	3.1
368.19733	1.0
377.15012	2.3
394.17636	4.6
395.12823	1.1
395.17075	0.9
397.17114	2.0
410.17502	3.6
412.18314	2.6
420.15634	1.2
421.14209	2.1
426.19388	0.9
438.16699	63.5
439.11536	1.5
439.17532	9.0
452.28525	0.7
456.17645	100.0
457.17966	18.5
457.23920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59856	0.5
53.76420	0.5
55.01864	1.1
56.82159	0.5
57.03450	2.0
58.00587	1.2
58.02975	0.8
59.01378	100.0
59.94819	0.5
60.01717	1.0
61.98829	11.0
61.99144	0.8
67.47880	0.6
69.03452	1.1
71.01385	28.5
71.72652	0.8
72.01703	0.9
72.99313	2.1
73.02953	20.4
74.02484	2.0
78.95901	1.4
81.03477	0.7
83.01395	8.7
83.01866	0.7
85.02957	6.7
86.02451	0.7
87.00883	2.2
89.02445	9.1
90.31179	0.5
91.10565	0.6
95.01414	1.0
96.97010	0.6
97.02959	0.8
98.02543	1.1
99.00915	0.9
99.05661	1.5
101.02454	24.0
113.02464	13.6
115.00391	2.3
115.08798	3.3
119.03510	4.6
121.06609	1.5
125.02489	1.7
128.03558	4.0
129.01990	0.7
130.07175	0.6
130.08749	8.4
130.09641	0.7
131.03519	3.1
137.09741	5.9
143.03516	2.3
143.04651	4.3
145.02977	0.6
146.04637	0.7
146.06107	1.3
149.04591	2.5
154.65091	0.6
154.99879	2.1
155.03452	0.7
160.00778	1.9
161.04590	6.4
165.05525	0.8
175.02481	2.8
177.87823	0.7
179.05734	1.1
189.12831	0.7
199.18173	2.1
210.08856	1.0
221.06566	0.8
223.10040	0.7
223.13362	1.0
233.15512	1.5
243.17047	0.6
251.16594	1.0
253.04578	1.3
254.05145	0.8
254.07942	0.7
267.12317	1.7
269.13010	0.8
270.13715	1.2
271.14395	0.6
272.08984	1.7
295.09860	1.6
297.13428	0.9
297.17197	0.8
306.07690	6.0
306.10959	0.8
312.26617	0.8
339.09222	0.7
382.46597	0.6
395.20911	1.0
397.94412	0.6
406.40851	0.6
413.21851	0.7
437.19342	0.7
455.19516	2.8
455.32520	9.4
456.21164	4.2
456.33441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0969
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
52.11528	0.3
55.01896	0.3
57.38540	0.3
58.11782	0.3
59.01367	1.9
61.98845	1.4
65.07236	0.3
71.01399	1.4
71.72102	0.6
78.41109	0.3
78.95910	82.1
82.02998	0.3
87.00877	0.3
87.63204	0.3
96.96973	100.0
97.01683	0.3
101.02468	0.6
111.00887	0.3
114.01986	0.3
114.05611	0.4
115.00397	1.1
119.05052	0.5
127.05090	0.4
130.08749	0.6
133.01462	0.8
137.06073	0.3
138.98048	3.5
144.08139	0.5
163.04045	0.7
175.02527	0.8
180.99194	0.3
184.08752	0.5
198.06725	2.0
199.00137	11.6
212.08318	5.1
213.01692	11.4
213.08717	0.4
226.15665	0.4
241.07291	5.0
242.07677	0.4
243.08987	0.5
255.08876	6.3
256.09152	0.4
278.48590	0.3
329.87842	0.3
339.08615	0.4
357.12387	0.3
407.93668	0.3
454.26682	0.3
455.09726	31.6
455.25009	1.3
455.65820	0.3
456.10043	4.0
456.28308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	5.1
58.20668	0.9
66.27293	0.9
69.65025	2.2
69.65444	4.8
72.00922	1.1
74.02477	14.5
82.02994	1.2
86.02504	7.0
87.05656	3.1
89.90239	0.9
90.00220	1.5
90.72823	0.9
97.04113	1.1
99.05647	10.9
101.07231	2.3
109.04083	1.1
111.07990	1.0
120.01226	1.0
123.05756	0.8
126.01993	1.1
127.05172	3.0
128.03558	41.3
129.03937	1.1
129.99741	1.4
135.05688	2.9
141.06740	3.6
143.04648	63.0
144.05042	2.2
145.06252	1.5
146.04622	5.7
153.06714	5.4
160.00746	17.3
161.01190	1.0
166.09911	3.4
167.04657	5.6
167.08273	1.4
170.03362	1.0
177.03381	6.8
178.29530	1.0
179.04651	11.7
181.06206	1.5
185.05692	2.0
192.07802	1.8
197.05734	2.3
198.08937	1.0
199.54907	1.0
210.08862	14.4
242.07855	1.7
254.07823	16.1
272.08871	27.8
272.11856	1.3
273.09326	1.5
288.06589	8.8
306.07669	100.0
307.07959	7.2
383.53204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0973
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
52.78417	0.2
59.01389	0.7
70.47151	0.9
71.01391	0.5
78.95910	81.7
89.02455	0.3
96.96975	100.0
97.96159	0.2
104.81442	0.3
115.00394	0.5
116.92879	3.4
128.03577	0.9
133.01421	0.4
138.98042	4.4
139.57727	0.2
144.08188	0.6
150.61726	0.2
160.56969	0.2
169.07666	0.3
180.99130	0.5
184.08803	0.9
198.06708	1.4
199.00151	12.3
200.00526	0.3
212.08324	4.4
213.01718	10.5
214.02032	0.3
241.07309	4.0
242.07735	0.3
243.55580	0.3
245.53790	0.2
255.08873	5.9
256.09161	0.4
275.99442	0.3
357.12228	0.3
437.08569	0.3
455.09732	29.6
456.09995	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	455.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04556	0.3
51.38348	0.3
59.01383	2.5
61.98820	0.7
69.11582	0.3
69.59836	0.5
69.60238	1.9
71.01388	15.9
72.01729	0.3
72.99314	3.5
73.02947	0.5
74.02480	0.4
74.24954	0.3
78.95905	0.7
81.19041	0.3
85.02958	0.8
87.00876	3.3
89.02457	3.7
93.03494	0.5
96.96032	2.1
96.96989	0.9
101.02477	0.4
109.04126	0.3
113.02453	0.4
115.00389	46.3
116.00752	0.8
119.05039	2.0
120.01234	0.4
123.03258	0.6
127.05142	0.4
128.03546	0.7
133.01453	100.0
134.01796	2.6
134.06163	0.3
135.04544	0.4
138.05634	3.5
149.06096	0.6
163.04030	2.2
175.02492	5.9
177.05611	0.7
182.04678	0.3
189.05591	0.8
199.59729	0.3
201.05710	0.3
202.53296	0.3
209.02940	0.3
221.04596	1.2
245.04472	0.3
249.07640	0.4
263.11368	0.7
279.05142	0.5
395.15680	0.8
397.77985	0.3
399.29105	0.4
438.16876	0.5
455.11893	0.4
455.17490	0.4
455.35199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68768	0.3
56.81505	0.3
71.18108	0.3
71.18473	0.7
78.95908	18.5
122.00166	0.8
140.01212	5.6
140.88277	0.3
152.99622	1.8
160.62004	0.3
171.00734	0.6
196.03819	10.0
197.04137	0.4
214.04836	2.0
255.23283	100.0
256.23615	9.3
295.88635	0.3
305.30377	0.3
350.98782	0.3
443.27765	0.3
452.27798	34.8
453.28244	4.0
461.89096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77096	0.3
59.01359	0.5
61.35815	0.2
67.01139	0.2
69.69643	0.4
69.70047	1.2
71.01361	0.6
72.36269	0.3
78.95909	99.7
87.00884	0.5
110.89944	2.0
110.98544	100.0
111.98942	0.7
115.00378	0.5
128.01782	0.3
175.02443	1.4
191.46295	0.2
241.19502	0.3
292.67368	0.2
325.00269	0.2
341.10977	0.8
453.10162	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	453.226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60952	0.8
59.01377	1.5
61.98826	3.0
64.86856	0.9
69.73727	4.2
69.74156	2.7
77.28831	0.8
78.95906	41.9
87.88708	0.8
96.96966	3.8
126.86807	0.8
147.76752	0.8
152.99605	62.6
158.06026	0.7
171.00664	19.0
185.79846	0.8
225.18604	60.4
226.18959	5.4
227.03259	4.9
245.04309	100.0
246.04599	3.7
305.02127	0.9
453.22571	46.6
454.22781	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	453.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05293	0.3
51.41351	0.3
54.27315	0.4
55.01881	0.7
55.31985	0.4
55.40352	0.5
57.03436	1.1
59.01380	100.0
60.01729	1.3
61.98834	9.5
69.59786	0.4
69.73312	3.4
71.01387	17.4
72.01739	0.5
72.99345	0.4
73.02953	4.8
75.00890	0.6
81.03465	4.2
82.03832	1.2
83.01400	2.3
83.05035	10.7
84.05363	4.1
85.02963	5.3
87.00901	1.9
88.11330	0.4
88.98833	1.4
89.02460	8.2
94.43155	0.4
95.01425	1.1
99.00892	1.5
101.02456	11.4
107.06171	0.6
111.00886	0.5
113.02467	7.9
115.00406	1.5
119.03519	3.5
125.02509	0.5
125.07258	1.4
126.07565	0.7
128.03616	0.6
129.01971	0.4
131.03566	0.9
133.01465	3.1
135.03008	1.4
135.04570	0.6
136.04138	0.4
138.58011	0.4
143.03558	0.9
143.08310	0.7
149.04507	0.5
154.99855	0.4
159.02997	1.1
161.04573	4.0
164.07137	0.6
179.05734	0.6
189.14964	5.5
203.14316	0.4
207.15115	1.2
207.98344	0.9
208.15382	0.9
208.99121	0.6
224.17696	1.3
225.16115	3.0
225.18120	1.0
226.16447	3.6
227.16710	1.2
243.19139	0.8
289.14481	0.4
321.19287	1.1
322.12723	0.6
325.27069	1.0
333.19208	20.7
333.23181	1.1
334.19589	2.2
334.23212	1.1
335.23663	1.1
341.03174	0.5
351.20276	22.3
352.20499	2.3
356.41327	0.4
389.49985	0.4
391.19803	0.6
393.21313	16.3
394.21594	1.6
409.18774	0.9
416.56625	0.4
434.32306	1.6
435.32413	3.0
452.33224	29.9
453.33499	44.5
454.33752	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	451.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.7
71.18447	0.7
72.84667	0.3
75.35382	0.4
78.95909	12.5
80.38160	0.4
81.86522	0.4
96.96023	0.5
99.04517	0.3
100.55326	0.3
104.39909	0.3
104.97501	0.7
110.98547	9.4
113.02283	0.3
120.03648	0.3
127.04005	0.7
134.18459	0.3
137.00154	0.4
167.01163	11.7
185.02217	2.9
278.27063	0.3
283.26419	100.0
284.26749	13.1
451.28293	30.0
451.33298	1.0
452.28708	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	452.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74395	0.4
57.03441	1.4
59.01381	40.7
60.01725	0.6
61.98831	100.0
62.98532	0.5
69.64661	3.8
71.01386	8.3
72.99319	0.6
73.02951	4.4
78.95888	0.6
83.01398	1.4
83.05036	0.6
85.02957	3.0
87.00903	0.9
87.04533	1.2
89.02444	1.5
95.01407	0.5
96.95993	0.5
97.06601	0.8
99.08213	0.7
101.02452	3.7
105.93900	0.5
106.06600	0.5
108.04549	1.2
113.02446	2.5
114.05611	0.6
115.00390	1.9
119.03481	1.0
120.99673	3.5
123.08187	1.1
124.07715	1.3
127.05150	1.1
130.08768	1.8
131.03496	0.7
134.03728	0.8
136.07697	0.8
138.05589	1.5
143.10786	0.8
150.05553	0.8
153.09221	0.9
154.99893	1.3
161.04588	1.5
167.00415	0.5
175.02446	1.2
180.06693	0.6
187.13451	1.0
205.15967	0.7
216.13649	1.2
222.06807	0.6
231.13974	1.1
235.17120	0.6
236.08318	0.5
241.09918	1.0
249.15096	0.4
255.11513	0.5
256.08524	1.5
257.12976	1.7
275.20285	0.5
275.35986	0.5
283.10883	0.5
285.12558	2.8
293.21237	3.5
293.44455	0.5
311.22217	1.7
329.23309	0.6
380.16205	1.4
389.25449	62.5
390.25839	7.4
393.24432	0.5
393.60175	1.4
408.19321	1.5
412.25900	0.6
423.13062	0.7
434.17261	0.5
436.24619	0.7
449.02817	0.5
452.18250	12.8
453.18365	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	452.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98832	0.4
70.32761	0.3
70.33158	0.3
74.47746	0.1
78.95911	10.9
96.96982	0.4
140.01210	2.1
152.99623	1.8
171.00693	1.1
196.03828	0.9
205.55914	0.1
214.04887	2.6
241.71786	0.2
255.23289	100.0
256.23642	10.4
301.96207	0.2
393.19498	0.5
452.27817	14.3
453.28110	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	451.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43823	0.2
59.01374	0.4
61.98825	1.2
65.37124	0.2
70.58899	0.6
70.59294	0.5
71.01389	9.5
82.54887	0.2
99.92596	29.4
100.92628	2.0
100.93385	4.8
113.92641	0.3
115.92096	100.0
116.92134	5.4
116.92872	68.6
116.94584	0.4
117.92903	3.4
117.93640	0.3
126.94952	0.5
132.92386	0.8
142.94496	0.4
144.96040	1.3
155.12033	0.2
156.95999	0.5
171.94659	0.3
172.95488	41.0
173.95560	2.6
186.93477	0.6
227.80737	0.3
255.23177	0.3
277.21741	2.2
281.24020	0.4
315.26599	0.3
377.14389	1.0
378.14749	0.3
391.12317	0.3
393.13800	1.2
433.16959	2.0
451.17938	6.0
451.30460	0.4
452.18198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43652	0.1
59.01367	0.1
61.98830	0.3
63.25135	0.1
69.83179	0.6
71.01390	0.1
79.15308	0.1
96.22587	0.1
96.96026	0.1
98.19913	0.2
99.00892	0.7
99.92591	5.6
100.92649	0.3
100.93368	2.9
101.93420	0.1
113.92611	0.2
115.92092	100.0
116.92095	5.3
116.92877	6.1
117.92857	0.3
130.94469	0.2
132.92349	1.2
142.94460	0.3
155.95248	0.3
156.95993	0.2
172.95485	5.3
173.95558	0.4
255.23286	0.2
277.21649	0.5
281.24210	0.1
364.09644	0.1
377.14291	0.6
378.14932	0.1
391.12128	0.2
393.13593	0.3
394.14316	0.1
403.15814	1.0
404.16254	0.2
422.24011	0.1
433.16913	1.5
434.17056	0.3
451.17941	3.7
452.18286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10984	0.6
55.01876	0.9
55.83686	0.6
56.85775	0.6
57.03471	1.2
59.01381	39.0
60.01723	0.6
61.98832	100.0
67.01876	0.8
68.20031	0.6
69.03445	0.8
70.03015	0.7
71.01386	12.8
71.67603	0.6
71.72862	1.0
72.99316	0.7
73.02952	5.9
75.00887	1.2
79.95749	1.1
82.03011	1.5
83.01409	2.1
83.05024	1.0
84.04543	0.6
84.37313	0.7
85.02959	3.9
85.29242	0.7
87.00882	3.9
89.02448	3.9
95.01427	0.8
96.96026	1.4
99.00906	0.7
100.07763	0.6
100.10420	0.6
101.02458	8.7
109.04087	3.7
111.00902	1.1
113.02464	4.9
115.00416	2.4
115.04003	0.7
117.01975	0.9
119.03522	1.9
120.99710	0.7
122.06190	0.7
127.05154	12.1
128.03535	1.4
129.10376	1.2
130.08760	12.8
130.09669	1.1
131.05051	0.6
131.09131	1.1
133.01451	1.4
135.04506	0.9
141.09277	2.3
143.03526	0.9
146.99884	0.7
147.04555	3.4
154.99908	1.0
161.04651	1.9
164.07176	10.1
165.05461	0.7
165.07553	0.7
175.02533	1.4
176.03847	0.6
179.05690	0.7
179.11980	1.4
180.10362	2.6
183.15060	1.2
197.13126	0.8
203.10858	0.8
214.08798	1.8
216.13976	1.0
222.12483	10.5
223.10898	5.2
223.12904	0.9
227.14024	5.5
240.13565	3.2
247.09845	1.5
257.09357	6.7
331.17551	4.8
344.19873	1.9
349.18671	7.4
371.24146	0.8
388.18805	63.4
389.19238	8.6
389.25497	4.7
391.19751	6.3
451.20102	2.1
451.25970	7.4
452.18591	2.5
452.25659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42960	0.8
59.00214	1.1
59.01366	2.0
61.98819	4.2
69.67285	2.7
69.67692	5.5
78.95911	89.4
94.16429	1.1
96.96011	1.5
96.96989	2.3
116.92873	1.2
135.16203	1.0
140.01212	38.8
152.99606	17.8
161.43393	1.1
171.00674	9.9
196.03793	14.3
214.04866	100.0
215.05182	2.6
223.47385	1.0
225.48199	0.9
240.56711	1.1
253.21704	32.8
254.22137	3.4
334.50955	1.2
337.10287	1.0
375.82529	1.1
387.77081	1.0
420.57227	1.2
450.26221	54.5
451.26462	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	450.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98831	1.0
69.12553	0.3
69.69248	0.3
70.40181	1.6
77.43024	0.3
78.95911	100.0
96.96009	0.8
96.96975	7.8
98.20544	0.4
140.01205	10.1
150.97995	0.4
152.99608	20.6
153.99942	0.5
156.09602	0.3
170.30881	0.4
171.00659	20.5
172.00963	0.5
180.12321	0.4
214.04866	11.9
376.22552	1.5
434.15613	0.4
450.26233	65.7
451.26556	8.5
451.32040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	17.2
59.01382	56.5
61.98833	92.9
62.98533	2.0
63.99258	12.7
64.32221	0.8
67.81475	0.8
70.29964	2.2
70.30359	2.0
71.01385	18.8
72.99316	1.0
73.02951	12.7
74.02474	2.7
81.79037	0.8
83.01403	9.5
85.02964	5.3
87.00900	2.6
88.98818	2.4
89.02467	6.0
93.03475	7.4
98.02470	1.0
99.00880	1.6
100.88874	0.8
101.02468	9.7
109.02975	0.9
109.42772	0.9
111.00881	2.3
112.98859	1.1
113.02479	6.1
113.03570	1.0
115.00406	3.8
119.03553	2.6
119.05022	4.3
125.02477	1.0
127.00386	1.9
128.03497	1.3
129.01978	1.1
130.08713	1.0
133.01460	4.9
135.04561	2.2
145.05162	1.1
149.04565	1.4
151.00462	1.1
154.99889	100.0
156.00262	4.7
159.10329	0.9
161.04575	2.7
179.03510	0.9
185.08223	7.3
197.11896	1.1
210.94244	0.9
225.75490	0.9
259.11801	11.3
310.04846	1.8
311.05475	1.3
313.11786	1.2
331.17636	1.5
357.11142	1.1
378.09738	1.6
382.10883	1.7
382.60864	1.1
386.12305	0.9
391.19785	2.3
403.07968	1.9
407.19382	2.2
415.12347	4.0
442.11670	1.4
449.32379	1.0
451.12408	7.6
451.21777	5.8
451.62628	2.2
474.32864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
60.18092	0.1
61.98832	100.0
62.98532	0.2
63.99271	0.2
69.79692	1.1
71.01380	1.2
72.99319	0.2
73.02949	0.3
83.01428	0.2
85.02987	0.2
87.00911	0.2
89.02457	0.3
96.93246	0.1
98.20554	0.2
99.00883	0.2
101.02483	0.4
113.02450	0.2
115.00393	0.5
116.05161	0.1
119.05082	0.1
128.03566	0.2
133.01474	0.5
135.04549	0.2
157.46616	0.1
288.15430	0.2
289.11975	0.3
391.23511	0.4
409.24466	0.2
450.11740	0.6
450.28156	0.3
450.61951	0.2
451.13489	0.3
451.21753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54128	0.1
61.98815	0.3
64.71101	0.1
71.47402	0.2
71.47740	0.3
78.55162	0.2
78.95910	4.9
78.96368	0.3
110.98553	4.0
139.73334	0.2
152.99583	0.8
167.01169	2.1
185.02219	3.1
185.99770	0.2
202.55759	0.2
281.24854	100.0
282.25198	11.3
327.93323	0.1
449.26730	11.0
450.26965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77766	0.2
55.01875	1.3
59.01381	14.0
59.74775	0.3
60.01722	1.1
61.01815	1.1
61.98833	100.0
69.70474	0.3
71.01396	4.8
73.02946	2.1
73.04109	0.3
74.02496	0.6
83.01414	1.1
85.02969	1.3
87.00872	0.5
89.02433	1.9
91.02862	0.3
93.03480	1.6
96.00934	0.4
96.96040	0.5
96.96996	0.3
98.19798	0.5
101.02443	1.9
113.02492	1.1
115.00391	0.8
119.03522	0.6
119.05064	1.0
120.85951	0.3
125.02507	0.4
127.05186	0.4
128.03598	0.9
133.01492	1.3
135.04546	0.7
136.07637	0.3
138.05681	0.4
143.03571	0.4
154.01500	0.5
154.99876	6.6
155.01036	0.3
159.10268	0.6
161.04594	0.6
168.06631	0.3
179.05695	0.4
185.08221	0.7
194.08202	0.3
209.04579	0.3
228.58607	0.3
230.40257	0.4
251.04474	0.3
255.03076	0.4
259.11923	0.8
260.06598	0.4
287.05850	0.4
288.05988	0.4
311.05396	0.3
347.17105	0.4
349.18665	0.3
365.18237	0.5
382.10938	0.5
391.19922	0.7
393.58438	0.3
407.19485	0.7
450.19803	0.8
451.12640	1.1
451.21997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
58.89906	0.1
59.01381	5.2
60.01691	0.3
61.01804	0.4
61.98832	100.0
62.98514	0.2
69.62220	0.3
69.62646	0.9
71.01390	1.2
72.01721	0.1
73.02943	0.3
83.01400	0.2
89.02448	0.7
92.50636	0.1
93.03505	0.2
97.71291	0.1
98.19872	0.3
101.02470	0.5
113.02479	0.5
115.00449	0.2
119.03557	0.2
121.02971	0.1
128.03490	0.1
133.01443	0.3
135.04652	0.2
151.84500	0.1
151.86432	0.1
154.99899	1.6
179.05721	0.2
181.05861	0.1
259.11899	0.1
323.17590	0.1
382.11322	0.1
391.20087	0.2
406.18127	0.2
450.20892	0.2
451.12466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01875	1.4
55.38266	0.4
57.03455	1.7
58.00599	0.8
59.01379	100.0
60.01719	1.8
61.98832	6.5
62.28281	0.4
69.03455	1.2
71.01386	34.8
71.66290	0.8
72.01704	0.5
72.99327	1.7
73.02953	24.7
81.03475	0.6
82.18028	0.5
83.01397	7.3
85.02955	10.3
87.00894	1.4
89.02455	6.5
92.80480	0.5
95.01398	1.5
97.02967	1.6
99.00888	3.5
101.02453	26.4
113.02462	10.9
115.00383	1.2
119.03513	1.9
119.05038	1.2
125.02497	1.6
131.03496	1.0
133.01448	0.5
134.03731	0.5
135.04550	0.6
143.03506	2.1
144.80722	0.6
159.03012	1.7
161.04588	10.6
183.13914	8.1
184.14223	0.9
199.13448	0.6
203.05746	0.6
205.03529	0.7
206.09692	0.5
221.46661	0.6
227.16475	2.9
245.17584	1.6
255.17058	0.5
285.03983	0.7
299.05829	0.5
329.20764	0.5
345.22778	0.8
371.20663	1.6
387.23743	1.0
389.21771	19.0
390.22311	2.3
407.22665	2.5
407.57361	0.5
408.23209	0.6
408.71414	0.5
431.22919	5.7
433.20819	0.8
449.23837	66.3
450.18088	0.5
450.24210	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	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01381	59.0
60.01732	0.6
61.98832	24.1
69.65295	2.8
71.01387	4.1
72.99342	0.3
73.02958	1.7
83.01403	1.1
85.02966	1.3
89.02441	1.6
94.12246	0.3
95.01401	0.5
98.20602	0.6
99.04530	0.8
101.02458	2.0
106.48375	0.3
109.02953	0.4
113.02448	1.7
113.77927	0.3
115.00382	1.1
119.03540	0.8
133.01445	0.8
135.04568	1.6
140.98265	0.3
151.00381	1.8
165.12885	1.2
167.10789	0.6
189.12827	0.3
207.13939	3.0
208.14156	0.5
209.11858	4.5
210.12117	0.5
225.14973	6.3
226.15302	0.5
227.12901	29.5
228.13165	2.4
233.76312	0.3
251.12845	1.0
269.13968	7.4
270.14264	0.7
287.06070	2.4
287.15005	100.0
288.15341	9.2
311.14902	0.7
329.16049	2.9
360.17776	0.4
389.17767	0.9
389.22153	0.8
449.10660	0.4
449.20148	6.9
449.27029	0.4
449.28278	0.3
450.20789	0.5
460.87811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47460	0.2
57.03453	0.6
59.01380	22.5
60.01704	1.2
61.98832	100.0
62.98557	0.2
63.02434	0.2
65.13665	0.2
69.03497	0.3
71.01390	4.2
71.71778	0.2
71.72262	0.3
72.01702	0.2
72.99309	0.3
73.02950	1.5
74.02488	0.9
83.01414	0.8
83.05017	0.3
85.02968	0.9
87.00864	0.3
87.05654	1.0
88.98817	0.8
89.02463	1.3
97.06628	0.2
99.04542	0.3
101.02456	1.8
103.09415	0.2
104.03571	0.2
107.01405	0.7
108.48123	0.2
109.02979	0.4
109.06588	0.3
113.02466	1.4
115.00375	1.3
116.02657	0.2
119.03526	0.5
119.05058	0.4
120.01202	0.3
123.08183	0.3
124.01720	0.2
125.02518	0.3
129.10318	0.3
130.08742	1.9
133.01450	1.2
133.02974	0.3
134.03764	0.5
135.04539	3.0
143.03629	0.3
143.11996	0.3
146.06065	0.2
149.06189	0.4
151.00380	4.1
155.11908	0.2
161.04564	1.1
162.05017	0.4
164.07182	0.2
165.12793	0.2
169.09882	0.4
175.02573	0.4
183.14996	0.3
186.05687	0.8
187.10941	0.5
193.05150	0.3
207.13963	0.5
209.11946	0.7
217.11971	0.6
224.09618	0.3
225.15015	0.9
227.12743	3.1
240.17166	0.2
245.11844	0.3
245.60452	0.3
246.00380	0.2
269.13965	1.4
273.16113	0.2
274.12006	0.5
284.03403	1.0
285.03815	4.0
286.04376	4.2
287.05673	4.3
287.15018	12.2
333.09814	0.6
388.20868	1.0
389.22260	1.0
397.24701	1.2
405.21381	2.9
407.23050	0.5
413.27731	0.3
431.20029	0.3
448.09613	4.4
448.22668	1.0
448.72440	0.3
449.10370	0.9
449.19708	1.3
449.27777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98833	100.0
69.68055	0.8
69.68461	1.2
71.01387	0.3
73.95361	0.2
78.69912	0.2
98.19852	0.5
101.02541	0.3
104.71307	0.2
113.02392	0.3
157.59042	0.3
170.27127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51116	0.1
59.01383	11.3
60.01712	0.9
61.01820	0.2
61.98834	100.0
62.98534	0.2
62.99260	0.1
67.15489	0.1
67.22959	0.1
71.01402	1.2
73.02960	0.6
83.01392	0.2
85.02985	0.2
88.04059	0.1
88.98830	0.2
89.02467	0.6
98.19846	0.2
99.26262	0.1
101.02460	0.8
102.02811	0.2
113.02468	0.4
115.00358	0.2
116.21846	0.1
119.03577	0.2
122.07747	0.1
125.02476	0.4
131.03488	0.1
133.01494	0.1
135.04607	0.1
143.03511	0.1
149.09737	0.1
151.00349	0.1
161.04564	0.3
167.10780	0.2
168.11240	0.1
179.05551	0.1
197.37210	0.1
243.91502	0.1
259.06235	0.4
269.04617	0.2
272.58377	0.1
287.05582	0.2
317.16074	0.3
388.20413	0.3
389.21671	0.1
449.10834	0.3
449.20178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69914	0.2
59.01378	12.0
60.01719	0.7
61.01820	0.5
61.98832	100.0
71.01389	4.7
71.73172	0.4
72.01794	0.2
72.99319	0.4
73.02956	1.1
74.02476	0.5
76.77336	0.2
83.01426	0.5
84.04515	0.2
85.02965	1.2
86.47751	0.2
87.00890	0.7
87.04528	1.3
88.53722	0.2
88.98807	0.2
89.02432	1.4
99.00904	0.3
101.02461	1.2
103.58723	0.2
109.02953	0.3
111.00917	0.2
113.02493	1.1
115.00386	2.3
115.03997	0.2
117.00863	0.3
118.51031	0.2
119.03544	0.6
119.05041	1.0
120.01289	0.4
130.08823	0.3
133.01480	1.1
134.03772	0.9
135.03029	0.3
135.04550	0.4
137.09720	0.2
149.06110	0.3
155.10811	0.4
156.11082	0.4
157.01479	0.7
158.01863	0.4
161.04614	0.4
163.04051	0.5
175.02547	0.8
176.02974	0.2
177.02966	0.6
179.05678	0.3
193.05113	0.6
199.09833	0.3
200.10159	0.4
226.15311	0.4
227.12874	0.5
228.03926	0.3
228.13203	0.7
229.13580	0.5
230.13725	0.3
244.12779	0.5
256.03375	0.6
271.10562	0.3
271.14368	0.2
275.07468	0.4
284.02927	0.3
285.03754	0.8
286.04431	0.4
287.14740	0.4
288.15369	0.8
289.15479	0.5
290.15921	0.9
302.20709	0.2
357.10104	0.3
361.20972	0.2
376.07040	0.2
388.20743	0.4
389.21936	0.5
404.26733	0.3
448.09979	1.6
448.17416	2.9
448.22980	0.8
449.18591	0.4
449.28204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11945	0.2
59.01369	0.7
61.98833	100.0
69.68192	1.2
69.68587	0.4
101.26469	0.2
120.99713	0.2
132.11821	0.2
152.83762	0.2
217.25600	0.2
349.12039	0.2
367.92676	0.2
371.11478	0.2
449.24536	0.2
471.88803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01379	11.3
60.01718	0.7
60.02013	0.2
61.98832	100.0
71.01388	3.6
71.01769	0.3
71.73592	0.3
72.99322	0.3
73.02961	1.5
73.04085	0.2
74.02484	0.6
83.01407	0.6
85.02512	0.2
85.02966	0.8
87.00898	0.3
87.05660	0.3
88.04070	0.2
89.02448	1.4
94.02928	0.2
99.00891	0.2
101.02459	1.8
105.01889	0.2
106.13731	0.2
107.09914	0.2
109.02975	0.7
110.02487	0.3
112.04053	0.2
113.02449	1.0
113.03593	0.2
115.00408	0.9
118.10302	0.2
119.03551	0.4
119.05090	0.2
125.02464	1.1
128.03564	0.3
130.08795	0.2
131.03566	0.2
131.08908	0.2
133.01463	0.8
134.03729	0.2
135.04570	0.5
137.02475	0.6
138.05667	0.2
143.03471	0.3
147.04536	0.5
149.09808	0.2
151.00403	0.3
152.01170	0.2
159.04549	0.4
161.04604	0.7
163.04037	0.3
167.10817	0.5
168.11206	0.4
175.04166	0.2
178.99886	0.3
179.03409	0.2
179.05704	0.3
199.07602	0.2
224.52094	0.2
233.69901	0.2
243.15997	0.3
244.16568	0.2
256.34882	0.2
258.07657	0.3
259.06039	1.3
270.07727	0.5
287.05542	0.8
288.08774	3.1
289.08972	0.2
324.21445	0.2
333.09805	0.3
341.12506	0.3
388.20718	0.5
389.21933	0.4
405.17673	0.7
407.22861	0.2
448.22699	0.2
449.11063	2.3
449.19724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83180	0.3
59.01379	5.9
59.72292	0.3
60.01719	0.5
61.98833	100.0
71.01401	2.3
71.71994	0.4
73.02957	1.3
74.67371	0.3
83.01406	0.5
84.86613	0.3
85.02971	0.6
85.50426	0.2
89.02445	0.8
89.61677	0.2
90.02829	0.3
96.16704	0.2
101.02441	1.5
113.02457	0.8
115.00417	0.6
118.67941	0.3
119.03517	0.3
125.97185	0.2
133.01468	0.4
153.97510	0.2
154.99875	0.3
159.72372	0.3
161.04497	0.3
162.16331	0.3
166.01976	0.2
170.05814	0.2
179.05634	0.3
180.24617	0.2
211.76743	0.3
214.63927	0.3
219.11803	0.3
268.00314	0.3
405.17426	1.4
448.21588	0.4
449.27789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69843	0.2
57.23122	0.2
59.01381	0.6
63.98069	0.2
70.91991	0.5
70.92310	0.2
78.95911	6.3
96.03291	0.2
102.74733	0.2
104.97481	0.2
106.33937	0.2
110.98550	5.1
129.62717	0.2
152.99641	0.3
167.01178	3.3
185.02229	3.5
186.02422	0.2
199.78143	0.2
261.22379	0.3
279.23294	100.0
280.23627	11.6
293.65906	0.2
346.00952	0.2
447.25146	11.8
448.25446	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69914	0.2
59.01378	12.0
60.01719	0.7
61.01820	0.5
61.98832	100.0
71.01389	4.7
71.73172	0.4
72.01794	0.2
72.99319	0.4
73.02956	1.1
74.02476	0.5
76.77336	0.2
83.01426	0.5
84.04515	0.2
85.02965	1.2
86.47751	0.2
87.00890	0.7
87.04528	1.3
88.53722	0.2
88.98807	0.2
89.02432	1.4
99.00904	0.3
101.02461	1.2
103.58723	0.2
109.02953	0.3
111.00917	0.2
113.02493	1.1
115.00386	2.3
115.03997	0.2
117.00863	0.3
118.51031	0.2
119.03544	0.6
119.05041	1.0
120.01289	0.4
130.08823	0.3
133.01480	1.1
134.03772	0.9
135.03029	0.3
135.04550	0.4
137.09720	0.2
149.06110	0.3
155.10811	0.4
156.11082	0.4
157.01479	0.7
158.01863	0.4
161.04614	0.4
163.04051	0.5
175.02547	0.8
176.02974	0.2
177.02966	0.6
179.05678	0.3
193.05113	0.6
199.09833	0.3
200.10159	0.4
226.15311	0.4
227.12874	0.5
228.03926	0.3
228.13203	0.7
229.13580	0.5
230.13725	0.3
244.12779	0.5
256.03375	0.6
271.10562	0.3
271.14368	0.2
275.07468	0.4
284.02927	0.3
285.03754	0.8
286.04431	0.4
287.14740	0.4
288.15369	0.8
289.15479	0.5
290.15921	0.9
302.20709	0.2
357.10104	0.3
361.20972	0.2
376.07040	0.2
388.20743	0.4
389.21936	0.5
404.26733	0.3
448.09979	1.6
448.17416	2.9
448.22980	0.8
449.18591	0.4
449.28204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69659	0.3
55.01892	0.4
57.03447	0.7
58.00603	1.0
59.01380	100.0
60.01712	2.2
61.98832	94.9
62.64413	0.3
70.74952	1.3
71.01389	13.6
72.01720	0.3
72.99310	1.0
73.02946	4.7
74.02458	0.5
83.01396	1.8
83.05077	0.4
85.02953	2.9
87.00867	1.1
88.98775	0.3
89.02457	14.7
95.01392	0.9
97.06552	0.4
99.00870	0.7
101.02457	8.9
113.02453	7.2
114.02799	0.5
115.00374	0.7
116.92867	1.6
119.03522	5.2
125.09763	1.8
130.08786	0.4
131.03539	0.6
133.01418	1.2
137.09703	0.5
143.03520	1.6
149.04541	0.8
159.03018	0.4
161.04576	5.8
163.11281	0.5
167.95808	0.3
171.22325	0.4
179.05649	4.9
180.05884	0.4
189.12843	0.8
207.13844	0.8
225.11322	0.8
225.14813	1.0
268.92935	0.3
285.13229	1.1
288.09015	0.4
297.03973	0.4
327.05045	0.8
357.06137	0.5
385.24454	0.4
387.20270	13.4
388.20306	1.4
402.29590	0.4
403.15973	0.8
412.14749	0.5
412.20013	0.6
430.96152	0.4
447.09180	0.4
447.17673	0.7
447.22336	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03444	0.8
58.00594	1.4
59.01380	78.0
60.01710	1.2
61.98833	100.0
62.98554	0.7
62.99256	0.3
63.99259	0.5
69.78873	1.9
71.01387	21.2
72.99312	1.1
73.02953	6.3
74.02500	0.7
75.00847	0.4
81.03470	0.4
83.01411	2.0
83.04994	0.5
85.02961	4.6
87.00885	1.3
88.98810	0.6
89.02454	20.2
95.01404	1.0
96.00900	0.5
97.02971	0.5
99.00912	0.8
101.02457	13.9
104.03572	0.4
113.02464	9.3
113.86312	0.3
114.02839	0.4
115.00386	0.4
119.03522	9.6
125.02448	0.7
128.03528	1.7
131.03508	1.3
135.04530	0.4
137.09709	1.0
143.03481	2.3
143.04533	0.5
149.04562	1.5
152.99597	0.4
161.04576	6.2
163.03868	0.4
165.09219	2.9
171.92302	0.4
179.05617	8.8
180.05974	0.4
203.05620	0.8
207.13921	0.3
225.14906	1.7
243.16061	0.8
285.03745	0.5
285.13275	0.9
355.13367	0.4
366.73257	0.4
369.19104	0.4
384.17480	1.4
385.18335	0.3
387.20270	10.1
388.20456	1.3
405.21265	0.7
446.60184	0.4
447.21939	1.1
448.20596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03449	0.9
58.00595	0.6
59.01380	100.0
60.01714	1.5
61.98832	21.0
69.03471	0.4
71.01389	18.5
71.72601	0.5
71.73033	0.8
72.01719	0.4
72.99315	1.0
73.02947	6.4
74.02486	0.7
75.00900	0.4
82.18673	0.4
83.01402	2.4
83.05043	0.6
85.02955	5.4
85.03369	0.4
87.00893	1.0
88.04062	1.2
88.98766	0.5
89.02456	7.0
89.69170	0.4
93.03494	0.8
95.01419	1.6
95.10082	0.4
96.00935	0.5
99.00874	2.5
99.04519	0.6
101.02458	10.7
101.06063	0.4
104.03546	1.0
104.05106	0.8
113.02461	6.7
113.03609	0.4
114.02032	0.5
115.00414	1.9
116.92922	0.5
119.03502	3.4
123.08245	0.7
125.02510	0.8
130.08792	0.5
131.03601	0.9
131.04626	0.5
133.01488	1.5
134.06201	0.4
135.04597	1.3
137.09766	0.5
143.03540	1.2
147.04584	0.6
159.03085	1.2
161.04582	11.1
163.11327	1.1
165.09221	0.5
179.05640	3.2
181.12396	0.5
186.12540	0.7
207.13933	0.9
223.13667	0.7
225.11481	1.0
225.14882	2.7
226.07504	0.7
236.05971	0.4
241.09885	1.0
243.12433	0.8
255.02998	0.8
283.11060	2.9
285.04608	0.5
285.13425	3.3
298.57748	0.5
327.09012	1.6
331.17661	0.7
337.00333	0.5
343.17783	0.5
361.18979	1.3
369.19409	0.5
387.20242	12.9
388.20813	1.7
403.20209	0.7
405.21262	0.6
447.09601	0.8
447.17603	0.8
447.27563	2.1
448.21683	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.6
58.18096	0.3
59.01381	100.0
60.01726	1.4
61.98824	1.7
67.98573	0.3
69.58249	3.2
71.01385	8.5
71.01762	0.6
72.99322	0.8
73.02961	1.9
85.02975	1.6
87.00910	0.3
89.02455	10.6
89.02991	0.6
95.01427	0.5
99.04556	0.7
101.02464	5.0
107.79329	0.3
113.02451	3.2
114.02838	0.4
119.03515	4.9
121.81424	0.3
127.63841	0.4
131.03537	0.6
143.03578	1.4
149.04648	0.4
151.97803	0.3
154.01543	0.9
161.04561	1.7
179.05656	7.4
179.07198	0.5
183.11668	0.3
210.99400	0.4
233.23082	0.3
244.88560	0.3
246.11472	0.4
247.83243	0.4
387.20349	2.9
405.21640	1.4
406.21875	0.4
433.13153	0.4
447.22681	1.5
448.11319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.6
59.01381	100.0
59.56931	0.4
60.01720	1.4
66.01158	0.4
69.63152	3.0
71.01388	9.0
71.01755	0.6
71.09017	0.4
71.48711	0.4
72.99318	0.7
73.02968	0.8
85.02979	1.4
89.02456	15.9
89.02991	0.9
90.02874	0.4
101.02457	5.8
107.03594	0.4
113.02460	4.8
119.03530	6.9
131.03552	1.0
143.03598	2.1
149.04565	0.6
159.02997	0.4
161.04581	2.9
167.10815	0.6
179.05626	16.3
180.05977	1.0
189.12987	0.4
198.64293	0.4
203.91772	0.4
301.16647	0.5
427.61841	0.4
435.97150	0.4
438.84888	0.4
447.22699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.90162	0.2
55.01877	1.7
57.03453	1.3
58.00593	1.0
59.01379	40.6
60.01720	0.5
61.98825	2.1
68.46221	0.2
68.99822	0.2
69.03459	0.5
69.40916	2.0
71.01385	23.0
72.01707	0.3
72.99303	1.2
73.02951	13.7
75.00891	0.3
81.03503	0.2
83.01395	5.4
83.05044	0.3
84.01707	0.2
85.02959	8.6
85.06599	3.6
86.00118	0.2
86.03273	0.2
87.00881	2.6
89.02451	6.3
95.01399	1.9
97.02968	0.5
97.06599	0.6
98.20679	0.3
99.00890	4.0
99.04551	0.2
101.02454	17.4
102.02808	0.2
103.43118	0.2
111.04476	0.3
113.02461	8.4
113.09738	0.6
119.03520	3.0
125.02458	0.6
127.11287	0.3
131.03511	0.5
143.03539	0.9
143.10703	0.2
149.04582	0.5
153.12877	0.4
155.03517	0.2
155.14430	10.9
156.14771	0.8
159.03027	0.4
161.04573	2.1
179.05658	0.3
181.12390	0.9
181.15984	4.0
182.16374	0.3
183.13930	0.2
198.12599	0.2
199.13403	19.8
200.13751	1.2
209.15491	0.3
225.14964	5.1
226.15448	0.4
245.17503	0.4
253.14345	0.5
255.03008	0.4
285.03961	0.2
300.02750	0.4
301.03421	0.5
361.22513	0.2
369.19165	0.3
387.15152	0.4
387.20227	10.9
388.20453	1.1
405.21298	19.8
406.21732	2.3
429.21320	0.5
447.22327	100.0
448.22678	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	447.1918
Annotation	Obliquine
Peak:m/z	Relative Intensity
52.87784	0.4
57.03430	0.5
58.00589	0.4
58.02977	4.4
59.01381	36.3
60.01691	0.6
61.98835	17.0
62.07116	0.3
70.02992	0.7
71.01385	8.5
71.02493	0.4
71.24593	0.7
71.24944	0.7
72.99300	0.6
73.02954	4.5
73.04077	15.8
73.91013	0.4
74.02474	1.1
78.95928	0.7
83.01373	1.7
84.04575	0.5
85.02969	2.0
85.04092	1.6
86.02454	0.7
87.00857	0.7
87.05653	1.2
89.02445	5.0
92.96072	0.4
95.01361	0.6
95.02498	0.5
96.00912	0.6
97.04090	3.4
98.02496	3.6
99.05595	0.4
100.04048	1.6
101.02456	6.8
102.81089	0.3
111.05655	0.7
112.05172	1.8
113.02474	4.2
113.03593	1.6
113.07230	1.0
114.01954	1.4
115.00372	0.8
115.05154	27.2
116.03570	0.7
116.05478	0.7
118.28271	0.4
119.03496	1.5
121.24115	0.4
125.03560	0.6
127.05145	3.0
128.03540	0.9
129.06708	0.5
129.10364	1.3
130.06242	5.1
130.08727	1.2
131.03543	0.6
133.01436	0.7
135.04419	0.4
138.04356	0.4
138.06876	1.1
139.08815	1.4
140.07173	0.7
141.10341	1.6
141.11388	0.4
142.06252	2.3
143.03531	0.6
143.11920	1.3
145.06213	3.5
145.65480	0.4
148.04407	20.5
149.04613	1.1
153.09261	2.7
153.10353	0.6
154.06259	3.2
154.99983	0.4
155.04631	1.5
155.11920	1.5
158.02820	0.5
159.03079	0.5
161.04593	4.4
161.07581	1.5
165.10384	0.9
167.11934	0.5
167.78462	0.5
168.11406	1.1
169.09845	4.2
169.13495	6.5
172.07278	3.3
179.05606	1.4
179.11844	0.6
182.12988	0.9
186.04709	3.1
190.05318	0.5
195.11414	1.4
198.12576	0.5
200.14020	0.7
202.08371	0.5
203.08580	1.2
208.14496	0.6
213.12450	3.4
217.13806	7.4
218.09692	1.1
218.13989	0.5
224.14053	0.6
225.15024	5.0
226.15593	6.1
227.27257	0.4
243.11829	2.9
260.10739	0.6
261.12759	4.8
262.12927	0.8
267.14557	0.6
268.88574	0.5
274.15952	19.1
275.16211	1.1
283.17825	0.7
285.04028	0.5
298.13986	0.7
318.14923	2.3
324.53024	0.5
331.18079	5.4
369.17697	0.5
373.19131	1.6
387.20547	5.4
405.18326	0.5
417.18146	36.1
418.18558	3.8
429.18124	11.5
430.18301	1.8
447.19180	100.0
448.19431	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	447.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03445	1.4
58.00594	0.3
59.01381	55.3
60.01714	0.9
61.98833	19.4
63.02389	0.2
65.00328	0.2
66.49088	0.2
69.03473	0.4
70.23309	0.2
70.35496	0.2
71.01389	10.5
71.02515	0.5
71.05032	0.7
71.74374	0.3
72.99312	4.9
73.02538	0.3
73.02955	6.8
74.02480	1.3
75.00887	0.6
83.01400	2.4
83.05029	0.4
84.04574	0.3
85.02957	2.7
85.03378	0.3
85.29445	0.2
87.00901	0.9
87.04538	0.4
87.05663	0.4
87.73068	0.2
89.02457	4.7
95.01398	0.6
96.57606	0.2
97.02962	0.4
99.00914	0.8
99.04507	0.3
101.02460	6.8
107.01409	0.8
109.02982	0.5
109.06593	0.3
113.02483	3.8
115.00415	0.9
115.08789	0.4
116.92892	0.6
119.03527	2.0
119.05041	0.7
120.01304	0.3
123.08149	0.3
125.02474	0.6
125.09742	0.3
129.09120	0.3
130.08769	0.6
131.03474	0.3
133.01459	0.8
135.04530	1.5
137.09744	0.6
138.05727	0.3
139.11314	18.1
140.11656	1.1
143.03485	0.7
143.11855	0.3
147.04536	0.6
151.00397	1.3
154.60805	0.3
154.99854	0.4
155.10803	0.7
161.04591	2.1
162.02319	2.3
163.04105	0.5
163.11333	0.8
164.07198	0.9
165.09195	0.9
165.10510	0.2
167.03554	0.4
179.00021	0.3
179.03569	0.4
179.05621	1.3
181.12363	9.9
182.12672	0.8
183.10281	21.5
184.10634	1.6
193.68314	0.3
199.09795	0.8
199.13419	3.1
207.13942	0.3
211.04112	0.2
213.05493	0.3
225.11372	6.9
225.14902	4.4
226.11819	0.5
226.15378	0.3
227.03497	10.4
228.03902	1.0
229.05013	0.7
243.12367	100.0
244.12689	6.4
249.11299	0.3
255.02991	13.4
256.03537	2.1
257.04272	0.7
267.12314	0.4
271.02502	1.3
284.03265	11.6
285.03973	5.8
285.13403	3.2
286.04419	0.6
286.14008	0.4
300.02728	2.2
301.03583	1.9
304.12109	0.3
331.11993	0.4
371.08789	0.4
387.15610	0.5
387.20212	3.7
388.20688	0.5
405.21353	2.1
447.09369	20.1
447.18274	1.8
447.22372	7.9
447.26886	2.0
448.09784	3.1
448.22830	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	447.1508
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
55.01886	0.5
57.03445	0.9
58.00584	1.1
59.01381	34.0
60.01725	0.6
61.98822	1.5
69.03462	0.4
71.01385	34.5
71.73240	0.6
72.01720	0.8
72.99322	1.5
73.02954	7.9
73.04078	0.5
74.69233	0.4
74.69936	0.4
74.99109	4.3
75.00896	0.5
78.81907	0.4
78.95889	0.7
79.95739	1.7
80.96559	0.4
81.03444	0.4
83.01406	2.6
85.02965	7.4
86.02528	0.4
87.00886	3.2
89.02454	28.6
90.02787	0.6
92.15637	0.4
95.01392	0.6
95.95238	7.5
96.00897	0.5
96.96021	12.2
96.96948	0.6
97.02959	0.9
99.00883	2.5
99.04513	0.5
101.02451	13.8
107.05026	0.7
109.02951	0.6
113.02459	6.4
115.00366	0.7
119.03536	3.4
123.04535	3.0
125.02411	1.3
126.03107	1.7
128.03568	0.6
131.03516	12.6
133.01477	0.8
134.03703	0.7
135.04539	28.2
136.04861	1.3
143.03566	0.5
149.04568	5.6
153.05574	3.3
161.04549	0.8
165.01848	0.4
167.10806	0.5
168.04155	1.5
172.10948	0.6
179.05673	0.6
180.04329	0.9
191.05637	6.7
195.03113	0.5
195.06625	1.1
225.07703	3.3
284.03259	0.5
303.65610	0.4
315.10840	5.6
331.08322	0.4
387.19885	0.5
405.21326	0.8
447.06082	7.9
447.15033	100.0
448.05515	1.3
448.15405	13.1
448.24805	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	447.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60458	0.9
55.01864	2.7
57.03213	1.0
57.03454	6.8
59.01382	96.3
61.98834	14.6
66.03510	1.0
71.01387	32.8
72.99306	2.2
73.01166	1.1
73.02959	12.3
73.04073	10.6
82.06618	1.5
83.01403	4.6
85.02962	13.2
85.19777	1.0
86.00087	1.6
87.00897	6.5
89.02457	7.5
95.01385	1.9
96.96055	1.2
98.03761	1.1
99.00890	2.6
99.04555	3.6
101.02458	18.7
106.06663	1.3
111.00880	1.1
113.02463	9.6
113.04327	2.3
115.00388	2.3
119.03496	3.4
120.01300	1.9
120.99666	3.1
121.05378	1.3
122.06087	1.4
123.04522	1.2
125.02434	2.9
128.03609	1.7
130.08766	27.1
133.01469	1.5
143.03537	2.4
146.06166	1.6
147.04626	1.2
161.04579	3.8
164.07135	1.6
168.09076	1.4
181.12358	3.8
197.16635	1.7
199.13438	6.5
201.11296	2.0
229.34903	1.4
234.09201	1.0
242.11879	6.0
242.14433	1.4
243.17133	1.2
255.02888	1.9
257.13016	1.1
277.10815	2.1
283.10880	1.8
284.03372	2.5
285.04059	1.3
298.11401	6.8
298.36612	1.2
298.61493	2.2
299.10397	1.6
300.02762	1.5
301.03723	1.6
307.12024	1.8
317.19730	3.1
320.11078	1.3
323.13229	1.7
329.22568	2.3
343.17639	14.3
344.18097	1.3
361.15179	1.1
361.18698	30.0
362.19040	3.5
387.19962	2.0
403.19757	100.0
404.20148	13.1
405.20728	1.5
447.09354	5.1
447.20825	17.8
447.26151	36.5
448.21106	2.6
448.26343	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	447.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01381	7.4
61.98838	0.7
63.96230	0.2
71.01385	3.8
72.99337	0.4
73.02953	1.3
74.02493	0.3
74.99107	0.8
79.95734	0.5
81.03458	0.3
83.01395	0.5
85.02960	1.0
85.18597	0.2
87.00891	0.4
88.04081	0.2
88.98817	0.4
89.02448	3.7
93.03471	0.4
93.26680	0.2
95.01395	0.4
95.05024	0.8
95.95248	1.6
96.96023	3.2
96.96964	0.4
98.19835	0.4
98.22593	0.2
101.02456	2.1
102.25157	0.2
102.98622	0.4
110.02473	0.3
113.02460	1.1
115.00378	0.5
119.03506	0.6
119.05021	0.2
121.02977	0.4
122.03741	0.5
123.04543	63.2
124.04879	2.7
125.02445	0.7
126.03134	1.3
127.05117	0.3
128.03551	0.5
130.08743	0.3
131.03517	1.1
133.01453	0.6
135.04553	1.0
136.04066	0.3
149.04582	2.1
153.05598	100.0
154.05939	4.5
161.04594	0.4
163.03879	0.2
167.10815	0.3
168.04147	0.6
181.03307	0.2
191.05579	0.6
203.42914	0.2
211.06142	0.4
223.04491	0.4
268.10059	0.2
269.65491	0.2
283.04758	0.3
293.08661	1.0
332.08606	0.3
387.20428	0.4
405.20892	0.2
447.05408	1.5
447.14951	6.8
447.20728	0.4
448.15289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.1
55.40360	0.2
57.03458	0.4
59.01379	10.6
60.01716	0.3
61.98830	22.6
62.69162	0.1
63.02407	0.1
65.00314	0.9
69.03457	0.2
69.22231	0.1
69.49493	1.5
70.12672	0.2
71.01390	2.2
71.05019	0.2
72.99309	0.3
73.01174	0.4
73.02946	1.2
74.02470	0.8
80.05075	0.1
80.75123	0.2
81.03434	0.2
83.01378	0.8
85.02954	0.9
87.00897	0.5
89.02471	0.7
90.60076	0.1
94.06660	0.3
95.01370	0.1
96.96017	0.3
99.00910	0.2
99.04509	0.1
101.02452	1.5
105.01974	0.2
105.03484	0.2
106.06663	0.2
107.01399	1.6
109.02967	0.2
113.02458	0.8
113.04330	0.4
115.00420	0.6
115.04032	0.2
115.07689	0.1
119.03519	0.3
119.05021	0.1
120.01266	0.3
120.99688	0.3
121.02971	0.2
123.08116	0.2
125.02406	0.2
125.09745	0.8
128.03600	0.2
129.10358	0.2
130.08777	0.4
131.05367	0.2
133.01433	0.4
133.02974	7.6
134.03334	0.2
135.04532	0.2
139.04123	0.2
143.03625	0.2
149.02463	1.7
151.00398	5.0
152.00682	0.2
155.02208	0.1
161.04576	0.5
165.09265	0.2
169.06700	0.2
171.04561	0.3
173.06061	0.2
175.02538	0.3
175.04010	2.8
179.03525	0.2
179.05614	0.3
185.06139	0.2
197.06097	0.3
198.03258	0.4
199.04012	2.6
201.01935	0.9
213.05569	0.5
215.03551	0.3
217.05022	1.3
223.04114	0.2
223.09698	0.3
225.15022	0.8
226.02858	0.2
227.03499	0.9
229.05103	0.2
238.45541	0.2
241.05083	0.8
242.02217	0.2
243.02919	1.0
243.16032	0.2
255.02968	1.4
256.03711	2.0
257.04507	0.6
266.89127	0.2
271.02560	0.6
284.03271	4.2
285.04037	100.0
286.04376	9.5
289.20291	0.2
290.89755	0.2
292.11478	0.2
298.11472	1.3
298.61465	0.4
299.02097	0.3
300.02570	0.3
301.03589	0.3
307.11847	0.7
307.62012	0.2
314.04346	0.3
322.17017	0.1
325.20297	0.1
331.11688	0.4
359.19019	0.4
360.19357	0.4
385.91000	0.1
387.20218	0.4
446.21390	0.3
446.27557	0.3
447.09326	25.2
447.20996	2.4
447.26160	2.3
448.09625	3.4
448.20639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81601	0.2
55.01883	0.3
57.03452	0.6
59.01382	26.1
60.26441	0.3
61.98829	3.1
69.03463	0.5
69.66805	2.0
71.01389	8.2
73.02954	10.5
81.03480	0.3
81.58088	0.2
83.01392	3.3
85.02953	1.1
87.00879	0.4
88.98846	0.3
89.02464	2.3
93.03471	0.4
95.01369	0.3
97.02958	0.4
99.00886	0.3
99.04507	0.5
101.02455	9.8
107.01403	0.6
113.02467	3.3
117.03448	0.2
119.03515	1.0
125.02464	1.0
125.09739	13.7
126.10048	0.5
130.95882	0.3
130.97076	0.2
131.03514	0.8
135.00912	0.6
139.11330	0.7
143.03477	0.8
149.04639	1.2
151.00403	2.2
161.04582	3.2
163.00450	0.6
165.01950	0.3
169.01447	0.5
171.04527	0.5
174.03241	0.3
178.99858	0.4
181.12352	0.6
183.04543	1.2
183.10287	0.7
185.06088	0.5
187.04005	0.5
189.05609	0.3
199.03905	0.3
207.13837	0.6
210.46935	0.2
211.04008	1.8
213.05597	0.3
221.06630	0.2
225.14978	6.5
227.03506	63.1
228.03853	4.9
229.05008	1.7
239.03484	0.6
241.05072	0.6
243.12344	2.6
243.16025	0.5
255.02982	79.2
256.03558	12.8
257.04413	1.7
284.03259	66.6
285.03973	27.9
286.04364	1.9
299.05652	0.4
327.05121	1.3
346.02127	0.3
366.91971	0.2
387.20297	3.7
405.21100	1.2
447.09335	100.0
448.09650	13.0
465.03687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
57.97557	0.6
59.01377	20.9
60.01704	0.3
61.98829	1.8
63.96236	0.8
64.97015	0.6
69.65232	2.6
71.01386	8.0
71.05049	0.3
72.99306	0.9
73.02961	2.9
73.04094	0.3
74.02493	0.6
74.99104	35.4
75.99443	0.5
79.95744	14.7
80.96525	1.9
82.02995	0.3
83.01401	0.9
84.00920	0.5
85.02960	3.4
87.00889	1.3
87.05676	0.3
88.04070	0.4
88.98821	0.4
89.02452	4.9
95.01357	0.5
95.95243	66.4
96.00921	0.4
96.96021	100.0
97.02969	0.3
97.95956	0.4
98.02493	0.6
99.00922	0.7
99.04539	0.6
101.02449	5.3
109.02973	0.3
110.02499	0.5
111.92967	0.4
113.02454	2.3
114.02010	0.3
115.00388	0.8
115.08791	1.2
116.09130	0.5
116.92900	0.4
119.03512	1.5
119.05013	0.4
120.01283	0.4
121.95554	0.5
125.02406	0.4
127.92442	0.6
128.03552	1.1
130.08751	1.0
131.03514	0.5
133.01456	1.6
135.04492	0.5
135.23958	0.4
137.02554	0.4
137.09688	0.3
138.09245	0.6
138.97093	1.3
143.03491	0.5
144.04614	0.3
149.04514	0.3
151.03986	0.3
161.04585	1.1
163.04033	0.3
163.11334	0.3
165.05533	0.4
167.10760	0.6
172.02324	0.6
175.02518	0.5
179.05632	1.0
181.01488	0.7
185.87311	0.3
189.12747	0.3
191.53296	0.3
195.03331	1.4
196.03798	1.1
205.04396	1.9
211.06116	2.2
225.07671	1.1
243.16074	0.3
251.01218	0.4
253.99420	0.5
259.01328	2.3
267.09885	1.0
268.10126	1.1
269.10403	0.6
274.99036	1.0
284.03391	0.5
285.04013	0.4
285.92218	0.3
290.98514	0.4
331.08350	0.4
346.40179	0.3
383.19528	0.4
384.19772	1.8
385.19724	0.7
387.19958	1.2
405.21246	2.3
428.22366	0.7
446.24548	0.4
447.05344	58.2
447.22610	1.3
448.05585	7.8
463.71848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
61.98851	0.3
69.67870	1.0
69.68285	1.1
71.01385	2.5
72.00912	15.3
72.99309	2.3
74.02482	12.6
75.00875	1.8
85.02985	0.4
87.00883	0.4
89.02453	3.8
98.19896	0.5
98.42464	0.2
101.02456	1.1
103.00388	1.0
104.03549	100.0
105.01948	32.4
105.03851	1.9
107.17075	0.2
113.02461	1.4
119.03519	1.4
143.03555	0.4
161.04613	0.4
179.05629	1.8
303.28494	0.3
341.10892	13.5
342.11200	1.4
446.15036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.1
58.00590	0.2
59.01379	11.1
60.01710	0.3
61.98832	100.0
62.98532	0.2
69.41893	0.4
69.42322	1.1
71.01386	2.7
71.01765	0.2
72.99277	0.2
73.02950	0.7
78.95914	0.2
83.01398	0.1
85.02969	0.6
87.00897	0.3
87.40688	0.1
89.02450	2.7
89.48693	0.1
95.01393	0.1
99.00917	0.1
101.02463	1.6
113.02473	1.0
119.03499	1.1
128.03557	0.4
133.01466	0.3
135.04527	0.2
137.09721	0.2
143.03551	0.3
161.04536	0.9
165.09314	0.3
179.05687	0.8
179.10846	0.4
180.11139	0.2
203.55080	0.1
205.12337	0.2
206.12718	0.3
223.62668	0.2
225.15125	0.4
242.79883	0.1
283.04730	0.2
328.09195	0.3
329.09488	0.3
330.09888	0.4
341.76825	0.2
383.17297	0.3
384.17783	0.3
387.20172	1.2
446.10916	0.2
446.21744	0.6
446.60574	0.2
447.22162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01913	0.1
58.00590	0.2
59.01379	11.1
60.01710	0.3
61.98832	100.0
62.98532	0.2
69.41893	0.4
69.42322	1.1
71.01386	2.7
71.01765	0.2
72.99277	0.2
73.02950	0.7
78.95914	0.2
83.01398	0.1
85.02969	0.6
87.00897	0.3
87.40688	0.1
89.02450	2.7
89.48693	0.1
95.01393	0.1
99.00917	0.1
101.02463	1.6
113.02473	1.0
119.03499	1.1
128.03557	0.4
133.01466	0.3
135.04527	0.2
137.09721	0.2
143.03551	0.3
161.04536	0.9
165.09314	0.3
179.05687	0.8
179.10846	0.4
180.11139	0.2
203.55080	0.1
205.12337	0.2
206.12718	0.3
223.62668	0.2
225.15125	0.4
242.79883	0.1
283.04730	0.2
328.09195	0.3
329.09488	0.3
330.09888	0.4
341.76825	0.2
383.17297	0.3
384.17783	0.3
387.20172	1.2
446.10916	0.2
446.21744	0.6
446.60574	0.2
447.22162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
64.09490	0.3
70.50531	1.0
71.01373	0.5
73.02960	0.4
78.95915	18.2
92.55936	0.3
94.99007	0.3
98.20010	0.4
104.97478	0.8
110.98553	13.9
120.86828	0.3
128.87552	0.3
134.77153	0.3
137.00116	0.8
144.69238	0.3
148.12383	0.4
148.54880	0.3
152.99611	0.6
167.01172	15.6
168.01408	0.5
172.36986	0.3
182.99197	0.3
185.02223	3.9
259.20871	0.4
275.20218	0.3
277.21729	100.0
278.22070	12.1
330.86877	0.3
350.72028	0.3
354.12164	0.3
445.23621	25.9
446.23941	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
69.70273	0.2
69.70586	2.2
71.01396	0.4
77.96004	0.2
78.22445	0.2
78.95906	8.3
88.13139	0.3
110.98546	5.1
113.95701	0.3
152.99695	0.3
167.01163	3.9
185.02208	4.5
189.10635	0.3
259.20499	0.6
275.20102	0.6
277.21713	100.0
278.22067	12.4
278.25204	0.3
445.23593	11.7
446.23764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
65.15455	0.6
68.60930	0.7
69.86281	4.3
70.02962	0.7
71.01386	3.7
73.02950	1.6
73.04070	1.2
77.42905	0.7
81.02222	4.9
82.02998	3.6
83.01398	1.3
83.02517	6.1
84.00917	14.2
84.04531	0.6
89.02449	1.2
96.00920	11.4
98.02489	15.8
98.19944	1.0
101.02460	1.9
102.05659	1.6
110.02496	12.9
111.02766	0.9
112.04070	7.4
113.02449	1.2
114.01915	0.9
115.00389	1.1
115.08790	49.7
116.09154	1.1
119.03521	0.8
119.05029	1.4
125.07140	0.9
127.08794	0.8
128.03571	4.1
129.18584	0.7
130.08755	53.8
131.09105	1.9
133.01451	1.4
138.04381	0.9
138.09264	22.4
139.08772	2.2
141.10365	1.1
143.11896	2.4
146.04585	0.9
151.08801	0.7
152.01167	0.8
154.01485	5.7
155.08302	10.4
156.06680	1.0
166.08737	2.3
167.03477	0.7
168.52924	0.6
169.08485	0.9
169.09831	7.6
177.10326	1.1
179.11908	5.1
180.10275	0.9
180.12161	0.8
186.12456	0.8
187.10942	4.3
194.06987	2.3
195.11345	1.8
201.02983	0.7
205.09909	3.9
209.09325	1.0
212.10402	1.1
223.10861	13.8
224.11214	0.9
231.13422	4.0
232.13805	0.7
252.09827	2.3
267.09833	100.0
268.10178	8.2
270.10913	2.5
285.10635	0.8
289.10767	0.7
293.11499	1.6
311.12512	12.7
312.12860	1.4
316.18784	1.5
327.08960	0.8
329.09375	4.5
383.19360	76.9
384.19519	8.3
409.21240	0.8
427.21964	48.0
428.22116	5.9
434.95642	0.8
445.22864	12.3
446.23471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47233	0.6
55.01885	1.5
55.53817	0.6
57.03444	4.1
58.00590	0.8
59.01378	100.0
60.01730	1.5
61.98831	21.1
66.72221	0.5
67.01897	1.0
69.03456	1.0
69.53130	2.8
69.53571	2.5
71.01385	23.4
72.01706	0.7
72.99321	1.9
73.01804	0.6
73.02955	6.3
74.02487	2.5
75.00868	0.8
76.79528	0.6
80.96474	0.6
83.01395	13.2
83.05048	0.6
85.02957	10.4
87.00886	14.3
88.98811	0.7
89.02449	9.7
93.03449	4.0
95.01410	1.2
97.06631	0.9
99.00921	1.3
99.04539	2.2
101.02455	7.2
102.98580	0.7
109.06617	0.6
110.02522	2.0
111.00898	10.8
111.01643	0.7
111.04551	1.3
113.02451	7.8
114.46418	0.6
115.00390	35.3
116.00758	2.0
117.00857	1.2
119.03526	3.9
119.05039	1.6
120.01276	1.0
121.02910	0.6
121.06626	0.9
123.08206	1.0
127.00441	0.9
127.05161	2.8
128.03546	1.4
130.08784	1.2
133.01447	11.1
134.01764	3.2
135.01898	4.4
135.04561	0.8
135.08180	0.7
137.09811	0.9
139.00397	21.1
139.07649	0.6
140.00687	0.7
143.03551	1.2
145.06274	2.5
153.09222	1.4
154.99901	1.7
156.00305	0.7
157.01442	67.5
158.01779	2.6
161.04567	3.0
163.04021	0.8
165.09254	1.0
165.12886	1.2
175.02495	40.1
176.02884	1.7
179.05684	2.4
179.10872	0.9
181.08733	1.5
187.11211	0.6
189.78857	0.6
195.08276	1.3
196.08534	1.4
197.11838	1.0
204.85406	0.6
205.12411	1.1
207.13989	2.3
209.11787	5.4
217.03636	1.2
221.18478	0.6
223.13408	2.7
225.14963	3.4
227.12892	21.2
228.13387	1.2
239.10864	2.7
240.11150	0.8
241.11104	3.1
241.14284	1.0
269.13940	4.8
283.09668	1.2
284.09985	1.0
285.10574	2.0
287.14999	42.4
288.15320	3.6
325.20135	0.9
329.10184	0.7
359.19177	1.0
383.09973	0.9
385.18887	2.5
403.19858	1.1
413.13690	0.6
445.17325	41.6
445.25742	12.6
446.17471	4.8
446.22412	2.1
446.27325	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72030	0.7
57.03444	0.9
58.00602	1.4
59.01382	100.0
60.01735	1.2
61.98833	11.0
66.26484	0.7
71.01388	32.2
71.32825	1.5
72.01722	0.8
72.99313	1.4
73.02956	2.6
80.22986	0.6
83.01420	2.1
85.02947	5.6
87.00890	3.2
89.02457	48.3
95.01412	2.1
95.05035	0.9
99.00851	0.8
101.02461	17.4
113.02472	15.4
119.03522	18.0
123.04595	1.0
128.40140	0.7
131.03557	2.2
139.04039	1.3
143.03532	4.8
147.08206	0.6
149.04636	2.4
153.09286	2.5
159.02818	0.7
161.04605	8.9
161.05910	1.2
179.05627	28.3
180.06078	1.0
182.15251	0.7
187.11296	1.1
203.10788	1.0
205.12404	5.6
223.13567	1.3
260.33365	0.6
279.32858	0.8
385.18643	12.8
386.19199	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	444.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03453	0.9
59.01086	0.7
59.01377	12.2
60.54827	0.3
61.98833	13.2
71.00990	0.6
71.01383	10.3
72.99311	1.3
73.02939	1.6
83.01389	1.0
83.05053	0.5
85.02956	3.7
87.00883	12.8
89.02477	0.5
96.96040	0.4
98.03725	1.1
101.02452	1.9
111.00905	0.7
113.02469	1.4
115.00388	26.2
116.00745	0.8
116.92860	0.3
119.05138	0.5
123.08214	0.4
127.00326	0.7
129.01947	0.5
133.01456	1.2
135.11818	2.9
138.37582	0.4
139.00369	1.1
149.51509	0.3
152.19128	0.4
154.64645	0.4
154.99895	0.5
157.01480	3.6
161.09717	1.0
175.02493	100.0
176.02843	4.1
179.10791	10.5
180.11166	0.7
184.64644	0.3
221.08130	0.4
222.08562	0.3
223.09845	2.2
223.13304	1.8
241.14439	6.0
328.09097	0.8
333.13019	0.4
381.11902	20.6
382.12164	3.1
445.20703	9.6
445.25806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87620	0.7
55.01887	2.8
57.03449	1.7
58.00598	0.8
58.02961	1.2
59.01381	100.0
60.01726	1.4
61.98832	27.7
69.03468	0.9
69.55334	1.0
69.55743	4.5
71.01388	41.7
71.05038	1.2
72.01746	1.2
72.99313	3.8
73.02951	29.2
74.02498	1.0
74.03321	0.7
75.00885	1.2
79.05537	0.9
83.01395	10.8
83.05030	1.0
85.02961	6.4
87.00888	9.6
87.04551	1.2
89.02457	8.5
93.03461	6.3
95.01409	1.8
95.05090	0.6
96.00991	1.0
96.96052	0.9
97.02973	1.1
97.06606	1.2
98.02509	0.6
98.19874	1.2
99.00906	2.0
99.04535	0.6
101.02457	25.7
102.02799	0.6
104.39659	0.6
105.07129	0.6
107.05067	0.9
108.46055	0.5
109.02933	0.8
109.06615	1.3
110.02538	0.7
110.59200	0.5
111.00905	3.2
111.04542	0.7
113.02461	9.1
113.06148	1.2
114.27345	0.6
115.00386	29.3
116.00755	0.8
119.03601	3.4
119.05034	17.2
119.66187	0.6
120.01259	0.7
120.05394	1.1
120.07578	0.5
121.03115	0.7
121.06638	0.9
123.04513	0.7
125.02496	1.3
128.03596	1.2
129.02029	0.7
129.10301	0.9
131.03561	1.6
131.05083	1.0
131.08495	0.6
133.01451	52.5
133.06609	3.9
134.01810	1.2
135.04568	1.6
136.05341	0.9
137.09763	1.3
139.00459	0.9
141.02013	1.0
142.55905	0.5
143.03532	2.0
145.06656	2.7
147.04568	1.5
147.08257	0.8
149.04585	1.9
149.06116	0.7
149.09792	2.3
151.07652	1.3
154.99886	8.3
157.01486	2.5
157.10233	1.2
159.04561	1.6
159.08228	0.6
159.95992	0.6
161.04608	6.0
161.09735	0.9
163.04013	8.5
163.11354	0.8
165.09224	9.6
166.09651	0.7
170.07361	1.1
173.09314	3.6
175.02496	7.4
175.11319	2.6
176.11713	0.8
177.05608	0.6
177.09291	2.8
179.03592	1.8
179.05695	1.1
179.10800	1.0
181.05243	0.6
185.09775	1.2
187.07742	0.6
188.08420	0.8
191.10835	0.7
193.12343	0.8
195.08253	2.0
197.09784	2.1
198.08788	0.8
198.71185	0.5
203.05652	1.6
203.10785	32.7
204.11180	2.1
206.09517	0.7
211.07628	0.8
215.10506	1.3
219.10368	2.7
220.11024	10.0
221.06819	0.6
221.09821	0.6
221.11832	14.8
222.12212	1.6
223.07735	2.0
223.13451	1.8
224.08479	1.0
225.11403	2.2
230.06770	2.7
231.10345	1.4
237.09259	1.4
239.10785	14.2
240.11169	1.0
245.11850	0.8
249.11397	6.8
263.12787	0.6
265.08633	3.9
266.09070	0.8
275.12906	10.1
276.13272	0.8
283.09821	5.8
285.13431	3.0
287.15094	0.9
293.14035	5.4
295.13177	1.0
301.10638	1.1
309.07852	2.0
327.08725	16.2
328.09134	2.5
357.19238	1.9
365.15979	0.6
383.17294	1.8
397.32144	0.6
425.18741	2.9
425.23956	1.0
431.41623	0.6
443.15323	5.1
443.19400	5.9
443.24637	4.2
444.19910	0.9
444.25259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03452	11.9
58.00594	1.4
59.01382	87.1
60.01707	1.7
61.98830	1.7
65.80072	0.5
69.03461	2.1
69.70470	0.8
69.70879	3.5
71.01387	47.0
72.01704	0.8
72.99328	2.9
73.02953	17.2
74.02465	0.8
75.00896	1.2
81.03447	1.2
83.01394	6.3
83.05029	1.5
85.02451	0.8
85.02963	11.4
87.00894	2.7
88.98820	2.6
89.02461	11.6
90.67837	0.6
93.03474	19.0
95.01413	2.7
95.05031	2.8
96.99326	2.0
97.02933	1.3
97.06597	2.5
99.00917	1.6
101.02460	21.0
102.02769	0.8
107.05042	1.2
109.02957	1.7
111.00871	0.8
113.02463	18.9
115.00391	28.7
117.03478	1.4
119.03657	4.1
119.05048	27.9
119.08723	0.6
120.05397	1.1
121.02988	1.1
121.06602	2.3
123.04541	3.4
123.08187	5.2
125.02454	1.3
125.06127	0.7
128.03575	1.5
130.04353	0.7
131.03519	1.8
131.05035	2.6
132.05911	0.6
133.01453	44.7
133.03026	2.0
133.06624	1.6
134.01802	1.4
135.04539	6.6
135.08162	2.5
137.06105	1.0
139.04050	2.5
139.07678	1.8
141.05594	1.0
141.09232	0.7
143.03578	3.0
143.05052	9.7
145.02954	1.4
145.06566	2.4
147.04561	0.9
148.05290	1.4
149.04587	2.7
149.09746	1.1
151.07674	16.1
152.08025	0.7
159.08179	0.9
160.08952	1.5
161.04575	7.5
161.09752	5.6
163.04037	12.9
163.07674	12.0
164.04414	0.9
164.08119	0.7
165.09219	6.8
168.07907	2.1
171.04546	1.6
173.09734	2.5
175.07594	0.7
175.11288	2.3
176.08463	0.7
177.09222	4.5
177.12848	0.8
179.05620	1.3
179.10796	9.8
180.11134	0.6
187.07684	1.1
188.08461	5.2
191.10745	4.7
193.12318	1.9
195.08177	2.4
197.09671	1.7
203.10793	47.7
204.11148	4.1
209.11485	0.6
211.07681	2.9
217.12250	0.8
219.08255	1.2
219.10313	0.8
219.13879	4.9
221.11832	64.0
222.12157	4.9
223.07626	5.9
224.08177	1.0
235.07629	2.3
235.13359	0.7
237.09207	8.4
238.09610	1.0
239.10783	9.1
239.12927	1.3
240.11215	1.0
245.11914	0.8
263.12830	2.5
265.08667	10.4
266.09048	1.2
283.09756	12.7
284.10031	1.5
309.07709	4.2
310.07932	1.0
327.08746	100.0
328.09082	13.1
347.15002	0.9
365.16037	3.9
383.17230	1.5
401.18295	0.8
440.45123	0.6
443.19424	7.0
443.24905	1.4
444.24756	1.3
447.03525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03451	19.0
58.00606	0.6
58.08057	0.5
58.14436	0.5
59.01381	66.1
60.01718	0.6
61.98834	2.2
63.58597	0.5
67.35169	0.5
69.03466	1.0
70.01355	0.9
70.01765	1.6
71.01387	21.5
71.25851	0.4
72.01740	0.5
72.99310	1.6
73.02952	18.8
81.03467	1.2
83.01396	5.2
83.05040	2.0
84.01702	0.5
85.02958	4.7
87.00884	1.4
87.04522	0.7
88.04054	1.1
89.02452	4.3
93.03467	5.9
95.01415	1.0
95.05035	2.4
97.02968	1.6
99.00913	0.6
99.04509	0.6
101.02457	17.2
101.06110	1.8
107.05075	1.1
108.02242	0.6
109.02969	1.0
109.06567	0.8
111.00928	0.5
111.04478	0.8
113.02482	5.9
115.00391	12.1
117.03445	0.8
119.03510	1.6
119.05038	6.2
119.08679	0.7
121.02960	0.6
121.06602	3.3
122.03738	0.6
123.04520	2.2
123.07346	0.8
123.08187	9.1
125.02475	1.1
125.06073	1.5
128.03535	1.7
130.06190	0.5
130.08757	1.2
131.03514	1.1
131.05009	0.8
133.01453	20.9
133.06619	2.9
134.01775	0.5
135.04553	8.2
135.08159	3.0
136.05249	0.6
137.06120	2.5
139.07661	2.2
141.09227	1.3
143.03523	1.4
143.05045	2.1
145.06592	1.7
147.04506	1.3
148.05328	2.3
149.04604	1.0
149.09758	1.8
151.07663	29.7
151.11263	1.8
152.07974	1.6
155.03467	0.5
159.08141	0.8
160.08900	2.1
161.04585	2.9
161.09747	10.5
163.04036	2.0
163.07661	21.6
164.08202	0.9
165.09221	10.7
166.09512	0.6
167.10770	0.7
168.07941	1.8
170.07274	0.6
173.05992	0.7
173.09801	2.5
175.11287	1.5
177.09238	6.4
178.09874	0.7
179.05621	0.5
179.10788	18.0
180.11206	0.6
181.08832	0.7
182.07384	1.0
185.09778	0.6
186.12550	0.6
187.07654	2.0
188.08441	10.0
189.08800	0.8
191.10753	1.0
193.12355	1.9
195.08134	1.9
197.09691	1.7
203.05551	1.6
203.10788	71.1
204.11142	5.6
211.07579	1.1
211.13503	0.6
219.10225	0.6
219.13861	1.0
220.10844	0.5
221.11829	100.0
222.10117	0.8
222.12155	7.6
223.07692	2.5
224.08281	0.9
237.09233	1.2
239.10725	9.9
239.12915	6.9
240.11111	1.3
240.13303	0.8
265.08688	3.0
279.62494	0.5
283.09766	9.5
284.09976	1.0
309.07608	1.0
327.08752	21.1
328.09143	2.9
383.17639	0.6
443.19098	5.9
443.25153	2.4
444.19446	1.1
444.25018	0.9
448.75623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01313	0.2
55.01880	19.4
56.02236	0.5
56.65488	0.2
57.03444	1.6
59.01380	21.7
60.01701	0.4
61.98824	0.9
68.99802	0.3
71.01388	8.7
71.49977	0.6
72.99313	0.7
73.02954	6.4
73.04077	0.9
83.01395	8.1
84.04554	0.5
85.02950	1.4
87.00890	2.9
87.05693	0.3
88.04053	0.3
89.02467	0.7
91.43390	0.2
93.03471	1.4
97.03000	0.3
97.06599	0.3
99.00897	1.0
99.04532	0.8
101.02457	3.3
102.05632	2.2
106.04249	0.5
106.06673	1.5
107.06971	0.9
109.04111	0.5
109.06653	0.3
110.02488	0.3
111.00888	2.4
111.98069	0.5
112.98842	1.0
113.02473	1.5
113.03615	0.4
113.06095	0.3
115.00387	5.1
117.01978	1.1
119.03643	0.3
119.05043	2.3
120.05329	0.3
121.02986	0.7
126.06758	0.5
127.00417	2.1
127.05161	1.2
128.03545	2.7
129.01984	1.5
130.06245	0.4
130.08768	1.4
131.05167	0.2
132.05821	0.3
133.00606	0.3
133.01421	1.6
133.06613	0.4
135.04576	0.5
137.09784	0.3
142.99872	0.8
144.07848	0.4
145.06529	0.7
146.04594	0.5
150.05606	0.9
151.05945	0.8
154.99883	100.0
156.00247	3.9
157.01471	1.0
161.04680	0.3
163.04034	1.6
163.11397	0.4
167.06148	0.7
173.00943	0.7
175.02481	4.0
175.11305	1.6
177.05605	3.4
177.12877	1.2
180.10262	0.6
183.08861	1.3
185.68263	0.3
191.10944	0.3
197.07208	0.6
201.09959	0.9
202.08191	0.3
203.10756	0.4
207.13803	0.3
209.07329	0.3
209.11830	0.9
210.06644	0.4
221.11797	1.6
222.12312	0.3
223.11008	0.3
225.06833	0.4
225.14996	0.6
227.12877	4.6
228.13245	0.4
237.09229	1.8
239.10793	1.2
240.07768	0.8
250.09627	0.3
253.08694	0.5
268.07214	0.6
269.13864	1.2
278.09485	0.6
283.09738	2.9
285.13522	1.8
287.14999	14.3
288.15271	1.2
327.08707	2.3
329.16043	0.4
340.09592	0.6
363.19559	0.5
384.08347	2.5
405.72379	1.4
406.22601	0.3
407.10004	0.3
420.72946	0.3
421.23083	0.3
427.71680	1.7
428.21921	1.0
428.72076	0.3
431.44992	0.3
433.71924	0.8
434.21875	0.5
442.72278	4.3
443.19241	6.3
443.72528	0.5
444.20145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68979	0.2
55.01880	21.6
56.02197	0.4
56.03720	0.2
57.03225	0.2
57.03454	3.3
58.00591	0.4
59.01382	25.8
60.01706	0.4
61.98839	1.4
67.01880	0.3
69.03432	0.3
69.58978	2.1
71.01386	11.0
71.05025	0.3
72.99304	0.9
73.02956	8.7
73.04066	0.4
73.18149	0.3
80.13578	0.2
80.25365	0.2
83.00894	0.5
83.01395	10.2
84.04562	0.6
85.02961	1.8
87.00879	2.7
88.04099	0.2
89.02462	1.2
93.03468	1.2
98.20657	0.4
99.00902	1.2
99.04533	0.3
101.01855	0.5
101.02462	5.0
102.05630	1.2
106.04287	0.5
106.06633	1.2
107.06978	0.7
109.02995	0.3
109.06603	0.2
111.00904	2.2
111.98027	0.4
112.98830	1.4
113.02454	2.1
113.03617	0.4
115.00397	3.6
117.01949	1.9
119.03510	0.3
119.05040	2.7
121.02986	0.8
121.06643	0.3
125.95177	0.2
126.06708	0.6
127.00392	2.5
127.05164	0.9
128.03558	2.6
129.01970	1.5
129.10378	0.4
130.06242	0.3
130.08780	1.0
133.01451	2.1
133.06592	0.4
134.03767	0.5
135.04588	0.5
139.00374	0.5
142.99866	0.6
143.03558	0.3
144.07802	0.3
145.01367	0.3
145.06587	0.6
146.04619	0.4
147.11853	0.2
149.04553	0.2
150.05663	1.1
151.05959	0.5
151.07710	0.3
151.11348	0.3
154.99895	100.0
156.00233	4.0
157.01466	1.1
159.11786	0.3
161.04602	0.8
161.09720	0.6
163.04068	1.9
163.11320	0.9
165.12860	0.4
173.00954	0.7
175.02484	3.1
175.11319	3.0
177.05600	2.6
177.12856	2.7
178.05911	0.3
180.10263	0.5
181.09843	0.3
183.08900	0.9
189.98679	0.3
191.10867	0.6
197.07170	0.3
201.09914	0.6
203.10748	0.3
207.13872	0.5
209.11852	1.0
221.11873	1.0
225.06659	0.2
225.11467	0.4
225.14963	0.7
227.12891	5.1
237.09224	1.4
239.10823	0.8
240.07814	0.4
251.12915	0.2
269.13983	0.9
278.09399	0.3
283.09726	2.0
285.13425	1.3
287.15021	12.4
288.15295	1.3
327.08780	2.3
354.20474	0.3
357.19400	0.3
363.19873	0.3
378.20340	0.3
384.08386	1.3
405.72409	0.7
406.22488	0.3
427.71829	1.6
428.22159	0.9
433.71860	0.6
442.72324	3.4
443.19379	13.2
443.72745	0.7
444.19922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03445	0.5
59.01086	0.6
59.01380	12.4
61.98830	0.9
69.03484	0.4
69.34937	0.4
69.71781	2.9
69.72202	0.7
71.01386	20.2
72.01721	0.8
72.99322	3.6
73.02960	4.7
74.03281	1.0
74.78056	0.4
79.91310	0.4
83.01403	2.6
84.63771	0.4
85.02968	0.5
87.00884	1.3
89.02440	2.8
93.03474	2.4
101.02459	2.5
102.26603	0.4
111.00915	0.5
113.02497	0.9
115.00390	47.0
115.94606	0.4
116.00731	1.3
119.05050	4.7
129.01976	0.5
131.05029	3.1
132.05820	1.5
133.01451	100.0
133.06613	14.5
133.07645	0.7
134.01784	2.3
134.06984	0.6
135.04507	1.1
145.06563	0.6
149.04420	0.7
151.07700	0.5
154.99881	15.4
156.00264	0.6
158.03745	5.9
159.04553	5.0
160.08998	2.6
161.04529	0.5
161.09348	1.4
162.09567	0.6
163.03999	2.6
164.04845	0.5
165.09190	2.2
173.09793	0.4
175.02502	1.8
175.11330	4.5
176.11676	3.3
177.05611	2.2
177.11903	1.3
183.38695	0.5
190.02791	0.5
203.03590	1.6
219.10262	4.3
220.10576	4.0
221.04607	1.9
221.10834	2.2
227.12813	0.9
237.02504	0.5
237.09193	0.8
238.09576	0.4
239.10774	20.7
240.11115	2.0
265.08670	11.7
266.09085	1.1
283.09756	4.7
287.14999	3.3
293.67380	0.4
309.07690	11.1
310.08121	1.2
327.08725	19.1
328.09109	2.1
442.18390	0.6
443.09818	0.6
443.18283	4.7
443.24640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41220	0.2
54.47926	0.2
55.01865	0.4
55.74416	0.2
57.03428	0.7
59.01380	15.7
59.95891	0.3
60.01688	0.2
60.10352	0.2
61.98809	0.8
71.01386	20.6
71.29871	0.2
71.72303	0.5
72.01726	0.5
72.69314	0.2
72.98991	0.2
72.99314	3.4
73.02954	3.7
74.02469	0.6
74.03259	0.3
83.01392	1.9
83.04993	0.4
85.02949	1.8
87.00430	0.3
87.00877	2.5
89.02464	3.5
93.03461	3.4
94.03802	0.5
95.01340	0.4
97.06549	0.4
99.00907	0.4
101.02460	4.1
102.02801	0.4
107.05032	0.3
111.00890	0.6
111.04466	0.2
113.02451	1.9
114.02806	0.3
115.00389	44.7
116.00727	1.2
117.76440	0.2
119.03508	0.6
119.05038	6.4
120.05379	0.5
121.02966	0.4
121.06615	0.3
127.05150	0.3
129.10374	0.4
130.04298	0.4
130.08742	0.6
131.03545	0.4
131.05048	1.8
132.05855	1.4
133.01451	100.0
133.06609	12.3
134.01797	2.3
134.06935	0.9
135.04573	0.8
139.00438	0.6
143.05032	0.3
145.06676	0.6
151.11359	0.3
154.99892	1.8
157.01402	1.9
158.03749	4.3
159.04524	4.0
160.08936	1.3
161.04652	0.5
161.09358	0.6
163.04025	3.8
164.04781	1.1
165.09274	1.2
173.09778	0.5
174.01697	0.3
174.10074	0.4
175.02516	4.0
175.11319	2.3
176.11607	1.7
177.05600	1.9
177.09279	0.3
177.11902	0.5
179.10809	0.3
190.02733	0.7
193.12439	0.5
195.08202	0.9
197.09695	0.3
203.10817	0.7
219.10245	2.7
220.10612	2.4
221.04538	1.5
221.12051	2.8
237.09354	0.7
239.10773	18.9
240.08138	0.3
240.11246	1.8
241.64656	0.3
265.08673	9.2
266.09174	1.0
283.09766	5.1
284.10114	0.6
285.13486	1.4
287.15100	0.3
309.07681	8.9
310.08353	0.9
327.08737	14.8
328.09024	2.1
383.10208	0.5
399.22888	0.6
401.18060	0.5
442.18268	0.3
443.19632	9.1
443.29010	0.4
444.20264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49998	0.1
55.01867	0.2
57.03459	0.2
58.12133	0.1
59.01384	8.1
61.98835	6.2
68.01413	0.1
69.03425	0.1
69.66915	1.1
71.01389	7.8
72.01720	0.2
72.99317	0.5
73.02957	2.3
83.01396	0.8
85.02968	0.6
87.00882	0.5
89.02439	1.0
93.03473	20.5
94.03815	0.7
95.01381	0.2
96.99326	4.2
98.20618	0.2
99.00890	0.3
101.02460	2.5
106.04243	0.4
107.05022	0.3
108.02187	0.1
109.02941	0.3
110.02503	0.2
113.02479	0.9
115.00392	7.6
116.00793	0.1
117.03506	1.3
119.05047	15.7
120.01193	0.1
120.05339	0.7
121.02967	0.3
121.06601	0.2
123.04552	1.6
125.02539	0.2
127.05177	0.1
128.03529	0.3
129.10359	0.3
130.04263	1.1
130.08763	0.5
131.05046	4.3
132.05853	0.3
133.01440	9.8
133.02979	3.9
133.06598	0.6
134.01711	0.2
135.04530	0.4
137.02425	0.3
137.09753	1.0
143.05051	17.2
144.05403	0.9
145.02985	2.4
145.06612	0.9
146.03326	0.2
147.04559	0.7
151.07721	0.2
154.99916	0.5
158.03734	0.3
159.04546	1.1
161.04578	0.7
163.04036	8.8
163.11299	0.8
164.04367	0.5
165.09142	0.3
171.04533	2.1
175.11235	0.2
177.05598	0.3
195.08147	0.5
197.06114	0.2
203.03560	0.3
203.05524	0.2
203.10764	1.7
204.11093	0.2
211.05588	0.3
211.07655	5.2
212.08020	0.5
219.08200	0.8
219.10091	0.2
221.09679	1.0
221.11836	0.8
222.06946	0.4
223.07693	1.2
224.08054	0.2
230.06659	0.6
235.07634	3.1
236.08147	0.4
237.05605	0.2
237.09212	5.4
237.35129	0.1
238.09572	0.7
239.10767	1.8
240.11011	0.2
247.07756	0.6
250.06364	0.2
263.07111	0.5
264.07846	0.4
265.08691	19.6
266.09006	2.1
266.36847	0.2
276.08838	0.2
279.06891	0.2
281.08270	0.2
283.09729	1.2
287.14960	0.2
309.07742	5.5
310.07993	0.6
327.08752	100.0
328.09091	11.5
336.11041	0.2
348.67465	0.1
357.18976	0.2
365.15939	0.6
383.17166	2.4
384.17426	0.3
399.26093	0.4
443.09760	0.2
443.18918	0.7
443.24768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46669	0.2
57.03453	0.5
59.01380	3.2
61.98820	0.7
65.85686	0.3
69.94096	1.9
71.01389	12.4
72.99320	0.8
73.02946	0.6
76.60349	0.3
80.02681	0.5
83.01388	0.5
87.00884	0.6
89.02473	0.9
93.03460	8.2
93.43389	0.3
96.99316	1.2
101.02473	0.5
106.04226	0.5
115.00392	16.5
116.00607	0.3
117.03513	0.9
119.05045	20.7
120.05370	1.0
121.02970	1.0
123.04533	0.6
131.05067	1.4
132.05800	0.9
133.01454	19.2
133.03001	0.7
133.06612	0.9
137.02261	0.3
143.05052	5.7
145.02982	0.8
145.06607	2.2
147.04628	0.3
161.04613	0.3
163.04019	7.8
164.04515	0.4
171.04527	0.6
175.02507	0.6
176.04706	0.4
177.05573	0.3
181.06549	0.7
195.04530	1.6
195.08133	1.6
197.06052	0.7
197.09703	1.6
209.06128	1.0
210.06586	0.6
211.07613	1.6
221.09645	0.7
221.11812	0.7
222.06937	0.9
223.07623	1.4
224.08395	0.9
235.07658	1.3
237.09206	9.2
238.09540	1.1
239.10770	5.5
240.11133	0.4
253.08846	0.3
265.08682	4.8
266.09027	0.5
283.09760	16.1
284.10092	1.6
309.07742	1.3
319.10846	0.4
327.08737	100.0
328.09079	11.1
340.16034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03431	0.9
59.01380	49.3
60.01724	1.0
61.98833	100.0
67.01898	0.5
68.01420	3.9
68.64846	0.5
69.56434	4.9
71.01388	25.4
72.99310	3.0
73.02955	7.3
82.03024	0.6
83.01386	2.6
85.02956	4.5
87.00893	3.6
89.02464	3.2
93.03472	7.4
99.00911	0.6
101.02450	7.3
110.02509	3.9
111.00898	0.5
113.02471	4.1
115.00391	42.1
119.03529	0.6
119.05052	5.3
123.08204	0.5
130.08762	0.9
133.01453	87.3
133.06602	1.2
134.01752	2.8
135.04579	1.8
143.03564	0.7
143.05087	0.6
145.06587	5.0
147.04539	4.2
149.06133	0.6
154.99901	3.5
157.01450	1.2
158.06116	1.0
161.04573	4.0
163.04033	2.1
165.09225	1.5
171.04530	0.8
175.02507	3.0
177.05595	0.7
186.34729	0.6
188.05658	1.2
189.05583	2.6
195.08229	1.8
203.05632	4.3
203.10818	5.4
206.09364	0.6
220.06339	0.6
220.10870	1.7
221.11876	4.2
223.07677	4.2
223.13345	0.7
224.08432	3.0
225.11266	0.9
230.06702	14.0
231.06870	0.7
237.09149	1.0
239.10768	11.4
240.11105	1.3
249.11369	1.8
265.08633	2.3
275.12747	0.7
276.08710	2.9
278.03775	0.6
283.09772	8.9
284.10010	0.9
285.13409	1.2
293.13898	0.9
296.28192	0.7
309.07742	2.5
327.08728	25.6
328.09164	2.9
336.10956	1.4
349.24289	0.6
443.15521	3.5
443.20178	1.1
443.24512	1.0
448.84570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.1
60.01727	0.8
61.98831	5.3
69.08389	0.6
69.71320	1.9
69.71740	2.5
70.98978	0.5
71.01389	2.4
73.02943	0.8
81.53287	0.6
96.96035	0.7
101.02473	1.0
113.02455	0.8
115.00394	2.1
119.05074	0.9
125.09752	1.0
133.01448	2.3
154.06682	0.6
154.99834	1.3
167.06165	41.9
168.06520	2.3
169.04135	1.6
170.06152	0.8
181.07739	3.4
182.04875	0.8
195.05637	3.4
195.13963	0.7
197.07220	4.7
209.07208	27.8
210.07523	1.3
222.06761	0.8
225.06737	1.0
234.06668	0.8
240.07695	1.5
262.74460	0.5
268.07251	2.4
278.13034	3.1
280.14505	8.5
281.14670	1.1
292.14645	3.4
308.14151	2.8
310.12750	0.4
310.15588	20.6
311.15985	2.1
320.14041	42.3
321.14246	4.7
327.08636	2.7
338.15100	11.2
339.15576	0.8
354.14383	1.4
362.15277	2.6
382.14096	100.0
383.14404	14.0
394.14093	1.5
406.14093	2.3
442.27753	2.9
443.24210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93713	0.6
51.40490	0.6
55.01764	1.5
57.03329	1.4
57.03622	1.1
58.00499	0.6
59.01786	2.2
61.98720	1.3
65.11629	0.5
69.03319	1.7
69.64291	4.2
71.01246	26.9
71.01685	6.9
71.04899	1.3
72.02061	0.6
72.99171	1.9
72.99540	0.8
73.02808	27.5
73.03266	6.5
73.03526	1.1
75.00753	1.1
79.05440	1.2
81.03355	0.9
83.01251	8.1
83.01795	1.5
83.04884	3.8
85.02812	6.2
85.03370	1.0
87.00740	20.8
87.01337	3.0
89.02299	4.7
89.02901	1.3
91.05415	1.3
93.03321	11.6
93.03982	1.5
93.06964	2.1
94.03705	0.7
95.01255	1.7
95.04919	0.7
97.02879	1.3
97.06467	1.8
99.00787	1.5
99.04390	2.1
99.04973	0.7
101.02309	22.3
101.03049	2.1
106.06479	0.7
109.06509	1.1
111.00751	4.3
113.02318	11.7
113.03161	0.8
115.00240	19.3
116.00603	0.9
116.38846	0.7
118.91566	0.6
119.03383	1.6
119.04888	3.0
121.02848	1.0
121.06496	2.1
123.04447	0.6
123.08057	1.2
125.02340	0.9
125.05973	0.6
131.03378	1.6
133.01459	5.9
133.06479	0.8
133.10237	3.9
135.04449	1.1
137.06006	0.6
139.00256	2.6
143.03436	0.9
145.02979	8.5
145.06618	5.9
147.08133	0.7
149.04494	1.1
149.09683	0.8
150.05461	0.6
151.11180	1.7
154.99904	5.1
155.03355	0.6
157.01469	3.4
157.06583	0.9
157.10191	1.5
158.07225	1.1
159.04556	4.1
159.08139	3.9
160.08960	43.0
161.04466	3.2
161.05972	1.8
161.09320	2.5
165.05507	0.8
173.09744	8.2
175.02505	27.3
175.11304	73.7
176.02715	1.0
176.11627	5.1
177.09285	1.2
177.12914	2.8
186.07002	0.6
191.10728	1.6
193.12228	0.7
195.10172	1.0
201.09160	2.1
205.05095	0.8
219.10265	100.0
220.10619	7.5
221.11781	1.3
235.07608	0.9
239.07178	2.6
239.13022	1.1
251.11572	0.8
253.08679	7.0
254.09169	0.8
263.07208	0.9
277.05109	0.6
281.08356	2.0
283.06296	1.0
283.11832	4.3
293.12695	0.8
325.07196	18.8
326.07864	2.3
352.14294	0.7
441.18469	39.2
442.18787	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	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83722	0.3
55.01872	1.2
57.03445	1.0
58.00591	0.9
59.01380	46.8
60.01725	0.5
61.98832	1.2
69.03464	1.1
69.63673	3.2
69.64014	0.7
71.01386	24.7
71.05028	0.4
72.01744	0.6
72.20539	0.4
72.99323	1.4
73.02951	42.5
74.03290	0.9
79.05527	0.5
80.65030	0.3
81.03463	0.7
83.01395	10.0
83.05029	5.7
85.02980	2.5
87.00886	4.9
89.02448	3.1
91.05549	1.7
93.03502	0.5
93.07108	3.3
96.00935	1.0
97.02979	0.9
97.06599	0.4
99.00889	0.8
99.04533	0.3
101.02456	21.4
102.02830	0.6
104.06796	0.3
107.05047	0.4
111.00945	0.5
113.02473	4.5
115.00394	3.7
117.87207	0.3
119.03574	0.6
119.05055	2.8
120.05878	0.4
121.06628	0.9
123.04524	0.4
123.08212	0.6
125.02472	1.0
130.08768	0.6
131.03545	1.3
133.06592	0.5
133.10258	6.4
135.04561	1.6
139.00403	0.5
143.03552	1.2
143.05246	0.4
144.05794	0.5
145.06589	6.5
145.07709	0.4
146.07140	0.4
147.08246	0.5
149.04520	0.8
150.05643	0.4
151.11238	0.4
154.99870	3.2
155.03477	0.5
157.01454	1.5
157.06697	0.6
157.10213	2.1
157.85863	0.4
158.07431	0.9
159.08162	6.3
160.08955	51.7
161.04587	2.6
161.06046	0.8
161.09312	3.4
163.04044	0.4
173.09723	8.9
174.10208	0.6
175.02512	6.5
175.11296	91.0
176.11652	7.0
179.03510	0.7
189.88957	0.3
197.55002	0.3
201.09236	0.4
208.52216	0.3
219.10269	100.0
220.10625	8.1
221.06377	0.4
237.09415	0.5
239.12999	0.4
243.71094	0.4
264.19748	0.4
281.08286	1.3
283.11932	1.4
285.13644	0.5
325.10739	2.7
434.88821	0.4
441.17816	52.1
442.18088	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24874	1.7
58.10276	1.5
59.01376	6.0
61.98822	4.9
63.33631	1.5
67.63492	1.7
69.51417	1.6
69.66611	14.6
71.01385	5.3
73.02944	6.2
79.95721	1.7
85.02966	3.5
90.71231	1.6
97.22655	1.8
101.02459	31.2
105.92213	2.0
113.02486	1.9
128.87862	2.3
160.84203	29.0
161.04565	13.7
161.84300	3.4
162.83937	100.0
163.11263	2.7
175.02534	2.5
206.92903	1.9
263.16721	2.0
263.63651	1.9
277.21732	78.9
278.22083	10.5
339.19998	2.1
339.47366	1.8
379.03555	1.7
439.06235	15.7
439.27618	3.6
440.05603	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.4
58.00585	2.9
59.01382	100.0
61.98825	4.1
67.16320	1.3
71.01388	56.6
71.73138	2.5
72.99313	1.7
73.02945	7.7
74.02494	1.3
83.01381	3.9
85.02956	8.5
87.00874	2.6
88.98786	2.5
89.02457	69.8
95.01412	1.6
96.96017	1.9
96.96941	2.0
99.92570	4.1
101.02460	35.3
111.00882	1.4
113.02463	19.2
115.00417	1.8
115.92132	2.8
116.92879	10.7
119.03516	22.3
120.01280	3.4
125.02399	1.8
131.03525	9.7
133.01364	1.7
135.04506	2.0
143.03493	4.7
149.04585	29.5
154.99872	8.4
161.04552	4.9
165.01961	1.8
179.05634	24.3
191.05603	4.2
195.06631	3.0
247.11847	16.7
274.12750	1.4
283.11359	1.3
379.16058	66.0
380.16443	5.5
380.98206	1.3
409.35974	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	439.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	1.8
59.01378	4.5
61.98832	100.0
66.88516	0.2
70.24837	1.2
71.01398	0.8
73.02931	0.3
74.02481	9.7
78.25657	0.2
78.95935	0.4
83.01392	0.4
85.04105	0.7
87.00927	0.4
96.96048	0.9
96.96977	0.4
101.02460	0.5
103.26080	0.2
112.07732	0.4
113.02468	0.6
113.03635	0.4
116.05080	2.9
117.07240	0.4
129.10361	9.8
130.06628	0.3
130.10718	0.3
153.10461	0.3
154.99893	1.3
160.07687	2.7
171.11420	5.5
172.11714	0.3
174.05565	0.4
175.02505	0.3
198.12939	0.3
204.06636	0.4
221.09399	1.0
242.11899	4.3
243.12273	0.7
290.18655	0.4
301.15717	1.2
315.60840	0.5
332.19897	0.6
376.18787	32.6
377.19107	5.0
419.94244	0.3
440.24838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28392	1.2
55.01870	1.1
57.03431	1.9
59.01379	57.6
61.52177	1.3
61.98823	15.9
66.79389	1.2
71.01385	22.6
71.74195	2.4
72.01733	1.3
72.99316	2.3
73.02953	8.0
78.95910	5.2
79.95800	1.3
81.03425	1.5
83.01398	5.4
83.05028	2.0
85.02962	11.4
87.00882	47.4
89.02442	3.2
95.41386	1.3
96.87997	1.2
96.96014	5.9
96.96977	4.8
101.02439	7.8
101.58704	1.2
104.44250	1.2
111.00862	1.9
113.02460	6.8
115.00390	50.6
115.77764	1.4
119.03497	1.8
121.06645	2.4
127.00371	1.3
127.11243	1.2
129.01923	1.7
130.08694	1.5
130.23149	1.3
134.99913	1.6
136.05363	2.4
148.08937	10.3
154.99883	4.6
157.01448	10.5
161.04666	1.8
165.12927	1.7
168.11453	1.9
168.73483	1.2
173.13387	9.5
175.02493	48.4
177.12941	2.9
179.10780	1.5
191.14355	2.3
195.94508	1.6
201.16478	1.6
208.81689	1.2
210.12434	2.5
213.80820	1.4
219.17543	93.4
220.17909	8.3
228.13640	3.9
233.15410	3.3
237.18634	2.9
237.69560	1.5
263.16519	45.8
264.16876	4.5
281.14526	1.9
281.17581	42.8
281.20728	2.1
282.17944	3.5
299.12250	1.5
439.19736	100.0
440.19907	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	439.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98833	0.7
69.59321	1.6
69.72905	0.2
71.01378	0.2
72.28767	0.2
75.38645	0.2
78.95911	11.3
79.95730	1.6
96.96036	100.0
96.96977	27.7
97.95986	0.4
98.02508	0.3
98.20129	0.6
133.06578	0.2
135.04561	0.3
140.13910	0.2
158.92549	0.3
187.10887	0.4
229.55685	0.2
233.08138	0.7
304.31995	0.2
312.55032	0.2
348.96600	0.3
439.08536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86900	0.2
56.03614	0.2
58.84534	0.2
59.01411	0.2
69.65877	0.2
69.66492	1.5
78.95912	40.2
79.95756	0.2
91.97054	0.2
94.64699	0.2
96.96072	9.0
96.96975	100.0
166.79546	0.2
177.64946	0.2
341.10959	0.4
439.08658	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36565	0.2
51.37587	0.2
52.64509	0.3
59.01384	6.6
61.98832	100.0
70.65754	0.7
71.01384	1.4
72.99311	0.3
73.02965	0.8
78.95950	0.3
85.02965	0.6
92.44393	0.2
96.96031	1.0
96.96992	0.4
101.02479	0.8
106.96314	0.4
115.00430	0.3
117.05997	0.3
120.01694	0.3
122.72309	0.2
136.07710	0.3
151.22035	0.2
154.99854	0.4
173.13338	0.3
174.01726	0.3
201.33778	0.3
227.00694	0.3
235.13521	0.7
298.11334	0.4
310.87173	0.3
321.11481	0.4
375.27484	8.0
376.27811	1.1
382.72867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79747	1.1
55.01864	2.3
58.28451	1.0
59.01379	13.9
61.98832	10.8
63.27852	1.0
63.74945	0.8
69.03438	1.4
69.37314	4.9
69.37753	6.2
71.01379	5.4
72.61335	1.3
73.02950	1.7
83.01392	1.9
87.00954	1.0
88.58876	1.3
89.02444	2.8
91.01305	1.0
95.05017	1.2
96.96043	1.7
96.96970	1.5
99.92596	1.0
101.02448	3.4
101.88407	1.2
108.04573	1.4
113.02478	1.1
115.00393	1.4
116.92850	5.5
119.03553	1.4
120.01270	100.0
120.04547	2.6
121.01606	1.2
121.05325	2.8
122.06129	4.5
124.04025	1.3
125.66702	1.0
133.01439	1.2
134.06122	9.9
135.04549	1.5
136.04060	21.9
136.07695	46.1
137.08011	2.0
138.05583	2.8
150.05647	2.0
154.99915	9.7
159.05626	1.8
161.04584	1.5
161.07185	1.3
162.05589	1.7
170.02879	1.7
177.10376	2.2
179.80690	1.0
188.89870	1.0
212.10834	6.1
215.09454	2.1
225.06816	1.4
226.07451	3.0
228.10606	1.2
230.11861	9.8
239.08179	3.7
240.09006	5.8
246.09515	1.4
247.11874	1.5
254.09317	2.7
255.11386	76.2
255.14835	3.3
256.11700	8.0
258.10040	1.6
269.11560	2.0
273.12415	55.5
274.12808	5.4
283.13086	3.4
289.10068	3.7
298.15637	24.8
299.10394	17.7
299.15854	4.0
300.10712	1.3
317.11450	10.0
333.09256	5.4
342.14618	32.0
343.14899	2.1
379.15970	1.4
439.12708	2.7
454.58273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01379	100.0
60.01694	1.6
61.98832	27.1
71.01387	23.3
71.62266	0.7
71.62618	1.0
72.01742	0.7
72.99316	1.5
73.02956	15.5
73.03381	0.7
78.95918	0.9
81.03493	1.1
83.01400	5.9
83.05058	0.9
85.02958	4.1
86.68611	0.7
87.00914	1.5
89.02457	3.0
95.01411	0.8
99.00861	1.1
101.02460	15.5
102.38719	0.7
103.04041	1.9
106.06646	1.3
113.02459	7.2
115.00394	1.5
118.06657	1.0
119.03566	1.1
121.06608	3.7
123.06960	1.9
131.03510	1.4
135.04543	0.8
136.07681	1.2
137.09743	28.6
138.10080	1.7
143.03510	1.6
146.06142	6.8
149.04572	0.8
154.99892	1.0
161.04578	2.7
163.11313	22.9
164.11703	1.1
175.02509	3.1
189.12881	10.8
189.14488	1.1
203.05666	1.2
215.14415	1.2
219.17435	0.7
226.07553	0.8
227.08368	3.0
233.15451	11.2
234.15825	0.9
241.09767	4.5
255.11415	2.3
255.31604	0.7
257.12952	1.0
258.13242	0.9
269.12955	1.6
270.13751	2.0
297.61063	0.7
302.12808	2.2
328.10910	0.7
338.60519	0.7
394.21436	3.0
437.18707	2.3
438.20358	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	436.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
58.24419	0.2
59.01377	5.1
59.65347	0.2
61.98831	100.0
62.98517	0.2
66.66467	0.2
69.45073	2.3
71.01390	1.3
73.02955	0.9
74.02477	0.3
78.95918	0.8
83.01400	0.5
83.05102	0.2
85.02968	0.4
87.00926	0.2
89.02468	0.3
101.02471	0.7
107.17039	0.2
113.02456	0.4
115.00466	0.3
124.07714	0.3
133.07526	0.2
136.07712	0.8
177.03708	0.2
189.12967	0.7
241.09938	0.5
252.09845	0.4
257.13107	0.9
265.09833	0.5
275.11139	2.6
293.09433	0.2
297.10614	3.0
306.11252	0.6
319.10077	2.1
328.10559	2.7
335.11343	1.6
344.13235	0.2
370.66797	0.2
373.25922	8.1
374.26334	1.3
436.19095	0.4
437.14566	0.3
437.25406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2517
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
50.89867	0.1
51.26242	0.1
61.98825	0.2
65.65211	0.2
69.53960	0.4
69.54388	1.1
78.95909	51.8
96.96051	0.3
96.96975	5.6
150.98061	1.6
152.99605	100.0
153.99944	1.8
171.00661	3.7
213.04929	0.2
267.23260	0.5
281.24863	1.0
389.84695	0.2
435.25159	11.1
436.25558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.4
57.03455	0.7
58.00595	0.3
59.01378	100.0
60.01720	1.9
61.01810	0.6
61.98831	7.4
65.29862	0.3
69.03458	0.4
71.01384	9.2
72.01733	0.5
73.02953	2.1
78.95913	3.9
81.03455	0.3
81.85358	0.3
83.01396	4.0
85.02959	2.7
86.73722	0.2
87.00884	1.2
87.04537	1.0
88.98804	1.7
89.02465	1.1
89.99200	0.3
93.03455	0.4
95.01410	0.3
96.00898	0.6
96.96057	0.2
99.00893	1.0
101.02450	2.9
107.81100	0.3
111.00929	0.8
112.98819	1.3
113.02451	1.8
113.03622	0.5
114.02779	0.4
115.00381	2.6
116.00707	0.5
117.01950	0.5
119.03613	0.3
119.05042	6.4
120.05422	0.3
123.04559	0.6
125.02443	0.5
127.00397	1.1
128.03558	0.9
133.01459	1.8
134.03802	0.5
134.04745	1.3
135.04510	0.6
137.00737	0.5
139.11307	1.1
143.03506	0.3
147.04608	0.4
151.00383	0.3
154.99883	38.0
156.00203	1.8
158.92578	0.4
161.04604	0.7
163.04024	1.9
164.07158	0.6
167.03497	1.1
167.04781	0.3
175.02495	0.4
179.03510	0.4
181.12396	0.7
183.10269	1.2
213.09285	0.4
215.09839	0.3
225.11348	0.3
227.03592	0.9
229.04881	0.4
229.12326	0.4
229.41998	0.4
230.12617	0.4
231.19588	0.5
243.12369	4.9
244.12660	0.3
255.02989	1.1
273.07797	1.5
273.12357	1.2
284.03311	1.5
285.03998	2.1
285.13467	0.6
296.07123	0.3
316.76746	0.3
319.10675	0.6
333.19092	0.6
345.26389	0.4
349.18878	0.3
357.26370	0.3
364.75369	0.3
375.19711	0.3
375.23776	3.1
375.27664	0.4
376.24258	0.4
378.09586	7.4
391.19604	0.5
393.24951	2.6
394.25403	0.4
399.13004	1.1
425.16232	0.2
435.12631	0.5
435.22324	7.4
436.22742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74694	0.3
55.88205	0.2
57.03449	9.4
59.01380	11.0
61.98836	5.2
64.23664	0.3
71.01389	3.2
71.60883	0.3
72.01689	0.3
72.99322	0.3
73.02961	0.7
75.00865	0.3
78.95914	4.8
83.01395	0.4
85.02940	1.3
87.00891	0.3
87.04510	0.5
88.76961	0.3
88.98778	0.3
89.02466	0.4
93.27231	0.2
96.96011	0.3
99.00911	0.3
101.02489	1.2
102.93845	0.2
103.04026	100.0
104.04351	2.4
113.02467	0.9
115.00404	0.7
118.17072	0.3
119.04997	0.7
130.23376	0.3
133.01448	1.0
134.03882	0.3
134.04727	1.5
137.00674	0.3
145.12318	0.6
155.00011	0.3
158.92567	0.7
161.04613	0.6
199.20398	0.3
257.13095	0.7
260.45721	0.2
273.20731	0.4
277.14374	0.5
289.16351	0.3
307.17734	0.6
368.81924	0.3
373.26053	0.3
393.24774	0.3
435.17142	0.4
435.24728	0.5
436.18704	0.8
436.24399	0.3
444.03171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72919	0.7
59.01382	14.8
61.98846	3.6
69.88381	3.0
69.88790	1.0
71.01385	2.0
78.95916	4.2
86.28643	0.7
87.09872	0.7
96.96025	0.8
115.00400	1.6
119.05033	1.9
133.01472	1.9
134.03731	0.8
134.04677	1.1
146.96581	1.0
152.99597	2.3
163.04021	1.1
165.75441	0.7
168.70775	0.6
232.10880	4.2
233.11444	0.8
235.16200	0.7
277.03824	0.7
289.17935	1.5
290.18710	1.7
294.09964	0.7
310.76950	0.6
374.24493	100.0
375.24820	13.0
435.22729	1.0
435.27972	0.9
437.71063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.8
57.03444	1.0
59.01379	100.0
60.01717	2.1
60.72899	0.3
61.01796	0.8
61.38859	0.3
61.98829	10.2
64.95766	0.3
71.00988	0.6
71.01385	12.0
71.73317	0.6
72.01727	0.8
72.99307	0.8
73.02950	2.6
78.95914	5.5
82.12086	0.3
83.01397	5.7
85.02961	2.9
87.00893	1.3
87.04528	1.4
88.98808	0.8
89.02467	1.2
95.01422	0.4
96.00864	0.5
96.96973	0.4
99.00911	1.2
101.02452	4.1
111.00909	1.3
112.98820	2.0
113.02486	2.8
113.03206	0.4
113.03577	0.5
115.00414	2.8
115.91161	0.3
117.01982	0.5
119.03564	0.5
119.05046	6.6
120.04646	0.5
122.06137	0.5
125.02506	0.4
127.00404	0.7
128.03592	0.9
129.02000	0.4
133.01427	2.3
134.01804	0.3
134.03825	0.6
134.04768	1.4
135.04541	0.7
139.11296	1.8
154.99881	53.6
156.00240	2.0
158.92509	0.5
161.04558	1.0
163.04034	1.9
164.07253	0.4
167.03575	0.6
181.12366	0.9
183.10344	1.7
187.13329	0.5
199.13428	0.6
210.88721	0.3
213.09010	0.4
225.11336	0.8
225.85582	0.3
227.03532	0.7
231.19690	0.5
243.12361	6.0
255.03035	1.1
258.59509	0.4
273.07816	0.4
273.12253	0.7
284.03256	1.5
285.04016	2.5
319.10712	0.4
345.26627	0.5
349.18478	0.8
374.22574	0.4
375.23920	4.9
378.09622	5.9
391.19736	1.0
393.25006	3.7
399.13007	1.4
435.22232	6.6
436.22983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03451	0.7
58.00599	0.4
59.01380	100.0
60.01707	1.4
61.98832	1.8
69.03487	0.2
71.01385	11.9
71.05029	0.3
71.21705	0.2
71.28394	0.5
72.01738	0.2
72.99317	0.7
73.02953	2.4
75.00890	0.2
78.95935	0.2
83.01394	1.8
85.02960	3.9
87.00904	0.8
87.04566	0.2
87.54401	0.2
88.98818	0.4
89.02456	2.4
93.03466	0.3
95.01395	0.9
99.00868	0.9
101.01795	0.3
101.02457	5.0
102.02831	0.2
109.03006	0.4
111.00924	0.3
112.31708	0.2
113.02455	4.1
113.03577	0.5
114.02799	0.2
115.00387	7.6
116.00798	0.2
119.03582	0.8
119.05019	1.1
125.02493	0.5
128.03589	0.2
129.01958	0.2
133.01448	9.1
134.03795	0.2
139.00450	0.2
143.03560	0.5
149.06160	0.2
153.01921	0.2
154.99876	2.5
157.61513	0.2
159.03090	0.4
161.04588	1.5
161.05914	0.2
163.04121	0.5
167.14488	0.2
170.51010	0.2
179.05705	0.2
184.02295	0.5
185.06189	0.2
198.06944	0.6
199.07578	0.2
199.13487	0.2
201.09384	0.2
211.07663	0.2
212.08578	0.2
213.09212	8.6
214.09650	1.0
224.10091	0.2
229.12320	4.5
229.14388	0.3
229.18051	2.2
229.20038	0.2
230.12805	0.4
230.18602	0.2
271.06253	0.2
273.11292	3.9
274.11676	0.4
274.82358	0.2
317.10309	10.5
318.10638	1.4
335.17120	0.7
373.22314	9.0
373.27051	0.3
374.22580	1.1
391.23410	8.7
392.23874	0.9
394.19830	0.2
397.38931	0.2
433.11377	0.3
433.21246	0.8
433.28903	1.3
434.18149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.8
68.64051	0.4
70.11491	2.1
101.02462	0.4
113.02506	0.4
115.00346	0.6
123.00904	1.4
134.32390	0.4
137.02446	0.5
138.03224	0.4
151.00395	0.7
152.04825	1.2
153.01944	1.6
153.05602	0.5
178.02684	0.4
179.15466	0.5
181.01443	25.5
182.01765	1.5
195.02975	1.2
196.03783	48.6
197.04111	2.3
209.04652	0.5
211.06125	100.0
212.06462	6.5
294.73474	0.4
400.66135	0.4
411.26224	0.4
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	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.60646	0.1
70.48727	0.7
77.23744	0.2
78.95909	57.2
96.96974	6.4
97.31816	0.1
126.80039	0.1
150.98039	2.0
152.99605	100.0
153.99937	1.9
154.31088	0.2
171.00652	4.1
189.34062	0.2
215.78737	0.2
279.23373	1.1
310.47360	0.2
357.48071	0.2
433.23611	10.8
434.24005	1.8
452.49371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70066	0.2
62.96390	0.3
70.60809	0.5
73.21561	0.1
78.95909	65.3
80.91431	0.2
87.10069	0.2
96.96973	5.0
119.51274	0.2
150.98044	1.3
152.99605	100.0
153.99924	1.8
158.22769	0.2
171.00668	3.0
191.23419	0.2
203.65019	0.2
215.34648	0.2
279.23273	1.5
280.41812	0.2
333.73227	0.2
433.23584	19.1
434.23953	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	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03447	1.1
58.00602	0.5
59.01379	100.0
60.01713	1.1
61.98832	4.9
71.01386	23.3
71.44077	0.9
72.99307	2.0
73.02945	1.7
74.02470	0.6
78.95930	0.4
80.57853	0.3
83.01395	1.7
83.05054	0.4
85.02954	2.6
85.97860	0.3
87.00889	1.0
89.02467	3.4
95.01387	0.7
97.06595	0.4
98.49046	0.3
99.00899	0.7
101.02450	3.9
105.79301	0.4
109.02987	1.6
111.52165	0.3
112.98838	0.4
113.02479	2.7
115.00387	30.8
116.00708	1.0
116.07275	0.3
119.03516	0.9
119.05033	1.9
123.08205	0.4
125.09845	0.4
128.03551	0.5
130.08737	0.5
133.01453	37.3
134.01807	1.0
134.03783	0.5
135.04601	0.6
143.03561	0.4
154.99879	7.8
155.01067	0.7
161.04572	0.9
163.03989	0.7
185.06111	1.1
187.07718	0.3
193.05025	0.6
195.11372	0.4
198.06885	4.3
199.07573	1.2
200.08406	0.4
201.09335	0.4
211.07655	1.3
212.08392	0.5
213.09222	36.9
214.09715	4.8
215.10347	0.4
226.48105	0.3
227.10759	1.2
228.11243	0.3
229.12338	20.4
230.12692	2.0
241.10669	0.3
273.11313	15.2
274.11624	1.1
301.02954	0.4
317.10309	51.6
318.10660	5.1
339.09814	0.5
343.24826	0.4
357.10773	0.5
373.22421	2.8
391.23474	2.7
429.72781	0.4
433.11288	1.0
433.20721	1.8
433.28329	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	432.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
59.01382	10.2
60.01716	0.4
61.01809	0.2
61.98833	100.0
62.98532	0.3
71.01391	2.4
72.99345	0.2
73.02954	2.0
83.01419	0.6
85.02982	0.6
87.00909	0.2
88.98784	0.2
89.02444	1.1
95.01400	0.2
101.02448	2.0
101.02980	0.2
113.02451	0.8
115.00417	0.2
119.03555	0.3
119.05060	0.3
127.05219	0.2
128.03589	0.4
130.08730	0.2
133.01477	0.3
135.04562	0.2
137.40565	0.1
143.03497	0.2
151.00372	0.3
153.09245	0.2
154.99913	0.5
161.04582	0.4
162.04939	0.2
167.10835	0.4
189.40167	0.2
217.63756	0.1
241.06612	0.2
241.11974	0.3
271.06177	0.7
273.11356	0.2
311.23236	0.2
329.16049	0.2
347.17331	0.5
373.22595	0.3
374.19193	0.2
389.18094	2.1
389.22733	0.2
391.23608	0.2
432.22717	0.2
433.11655	0.3
433.20575	1.2
433.28415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0779
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01878	0.8
57.03448	0.6
59.01380	47.5
59.43808	0.4
60.01710	0.6
61.98834	3.1
63.02384	0.5
65.00320	1.1
68.43631	0.4
71.01386	10.5
71.44288	0.8
72.99303	0.9
73.02946	2.1
73.04068	0.4
74.02461	0.4
74.03319	0.4
78.95910	0.9
83.01390	2.2
85.02953	1.2
87.00878	1.0
89.02453	4.0
93.03470	1.0
95.01344	0.5
95.84304	0.3
96.96015	1.1
96.96974	1.3
101.02448	3.2
107.01419	2.7
108.02203	1.5
109.02968	2.0
109.06581	0.4
113.02480	1.7
114.93462	0.5
115.00396	5.9
119.01466	0.4
119.03496	1.4
119.05037	2.9
121.02989	2.0
125.02419	0.5
133.00452	0.4
133.01459	9.0
135.00893	1.2
135.04561	1.2
148.01704	1.8
151.00381	11.1
152.00902	0.5
154.99883	2.6
156.00221	0.4
160.04028	0.4
161.04590	1.0
163.00392	3.2
163.04025	0.9
164.00964	0.6
165.02026	0.8
165.31514	0.4
169.01340	0.5
178.99857	6.0
179.05646	1.0
180.00392	0.4
180.08856	0.3
181.12270	0.4
183.04486	0.6
183.08174	0.6
183.10219	0.3
187.04085	0.7
190.99919	0.4
192.00601	0.4
193.05174	0.5
195.08160	0.6
199.04016	1.0
201.05508	0.6
210.14090	0.4
211.04034	1.1
212.04523	0.6
213.09247	3.6
215.03513	0.5
216.04268	0.6
226.02673	2.1
227.03482	3.6
228.03975	0.5
229.04907	0.7
243.02968	13.4
244.03380	1.1
245.04532	1.6
246.04848	0.4
253.14325	1.0
254.02190	2.3
255.02988	26.9
256.03510	2.3
271.02472	64.0
272.02887	7.5
273.03897	1.6
273.11334	0.9
283.02441	1.4
299.01956	1.0
300.02765	100.0
301.03494	63.8
301.07172	0.6
302.03909	4.3
315.18176	0.5
317.10272	4.2
357.09863	1.3
361.14932	0.6
373.13071	0.4
373.18326	0.4
433.07764	69.1
434.08099	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	432.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44036	0.2
55.01860	0.3
59.01381	2.0
59.19308	0.2
60.99311	0.5
61.98832	16.8
65.43178	0.2
68.99216	0.2
70.92504	0.8
71.01381	1.5
72.10667	0.2
72.99325	0.4
73.02970	0.3
73.93799	0.2
74.02457	0.4
75.00875	0.3
76.11243	0.2
78.95911	1.0
80.20045	0.2
85.02971	0.5
85.17539	0.2
86.02484	6.2
87.00898	0.4
88.98820	2.0
89.02474	0.6
96.96024	1.0
96.96973	1.9
101.02453	0.8
110.02482	0.3
113.02489	0.3
113.03580	0.3
115.00408	0.8
116.92896	0.3
117.01897	0.2
120.01266	24.4
121.01648	0.4
121.06614	3.7
128.03572	0.3
133.01451	2.1
135.04536	1.2
137.02475	0.4
137.75473	0.2
138.05621	0.6
148.04359	0.3
149.06099	100.0
150.06435	4.7
154.99922	0.3
165.03802	0.6
168.42343	0.2
175.02521	1.6
179.03539	0.8
183.04861	21.0
184.05194	1.2
246.70921	0.3
259.11850	0.4
270.08057	4.4
270.17264	0.3
345.10114	3.9
346.10461	0.5
432.13333	26.8
432.18127	1.0
433.13358	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	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03452	0.3
59.01381	46.5
60.01711	1.2
60.03046	0.2
61.01808	0.5
61.98831	100.0
63.43745	0.2
64.41815	0.3
68.76145	0.2
68.99825	0.3
69.24910	0.2
69.78442	1.3
71.01385	6.1
71.01761	0.4
72.01723	0.3
72.99313	0.3
73.02956	3.3
74.02477	0.7
74.03262	0.2
82.36864	0.3
83.01398	1.4
85.02987	1.1
87.00887	0.6
88.98811	0.3
89.02464	2.3
89.47770	0.2
95.01403	0.2
99.00902	0.4
101.02454	3.7
113.02480	1.9
114.05634	0.3
115.00393	1.7
119.03542	0.6
119.05032	0.3
121.10240	0.3
133.01439	2.4
137.02486	0.3
138.03239	0.4
143.03461	0.4
145.09787	0.2
147.11841	0.4
153.01956	0.3
153.05652	0.4
154.99915	2.5
161.02393	0.4
161.04602	1.5
168.04253	0.9
175.35651	0.3
176.01096	0.4
179.03484	0.6
191.03500	0.4
192.04301	0.5
193.01355	0.4
193.05101	0.4
194.05727	0.4
207.06567	0.7
207.11987	0.3
208.03700	0.7
209.08148	0.7
209.11774	0.5
213.09189	0.7
216.64456	0.2
223.06207	1.3
243.12383	0.5
270.13034	0.3
271.02328	0.5
271.19113	0.4
273.11258	0.4
283.11810	1.8
300.02600	0.9
301.03351	0.7
317.10150	1.0
325.12830	0.5
334.87186	0.3
361.15112	0.5
402.24890	0.4
431.18396	0.5
431.23727	0.3
431.31021	0.3
432.19263	2.9
432.25415	1.2
433.15015	0.4
433.20184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	0.2
59.01382	3.3
61.98834	100.0
62.98539	0.2
69.95222	0.4
69.95636	0.5
71.01395	2.4
71.72383	0.1
72.99310	0.3
73.02954	0.5
73.04099	0.2
74.02486	0.5
78.95905	0.4
82.02970	0.2
83.01371	0.2
83.02537	0.4
84.00906	0.2
85.02973	0.5
86.02509	0.2
87.00886	2.0
87.10529	0.2
88.04090	0.1
88.98844	0.5
89.02479	0.9
91.81917	0.1
96.00948	0.5
96.96021	0.3
96.97009	0.3
97.01268	0.2
97.06634	0.2
98.02489	0.2
98.20633	0.2
99.92611	0.2
101.02464	0.9
106.77726	0.1
109.03026	0.1
109.06618	0.4
110.02541	0.2
112.04046	0.2
113.02493	0.5
113.03588	0.2
115.00388	3.5
115.08797	1.1
115.92124	0.2
116.09157	0.2
116.92899	0.4
119.03539	0.4
123.08208	0.2
123.93983	0.2
124.04072	0.2
128.03543	0.3
129.18408	0.1
130.08759	1.1
131.09090	0.3
133.01471	0.8
135.04564	0.5
136.05545	0.2
138.09300	0.3
141.10448	0.2
149.02516	0.3
154.99947	0.8
163.04077	0.2
169.09886	0.2
175.02507	11.0
176.02875	0.4
179.03574	0.4
179.05708	0.2
185.08282	0.2
206.10268	0.2
209.11963	0.5
211.09792	0.3
223.11008	0.2
238.02103	0.2
239.27316	0.2
253.10893	0.2
259.11905	0.3
267.09845	1.1
268.10306	1.1
280.10345	0.2
297.11014	0.6
298.11169	0.7
367.75500	0.2
384.19839	0.5
397.18002	0.3
413.20547	0.6
414.20630	1.4
432.08517	0.3
432.16168	0.2
432.22443	1.5
433.17224	1.1
444.17535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
60.99295	1.6
66.30661	0.4
70.63217	1.5
71.01387	9.4
72.27580	0.4
72.99307	2.0
88.98817	14.8
89.02458	1.6
89.99162	2.0
90.99239	0.5
107.05032	0.6
110.31149	0.4
115.00387	25.1
116.00740	0.8
129.51793	0.4
133.01453	100.0
134.01788	3.0
134.03775	1.6
135.04544	28.3
136.04880	1.6
173.38692	0.3
176.59401	0.3
179.03516	32.7
180.03827	2.0
295.04587	5.3
312.97812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80781	0.3
55.01888	0.7
57.03456	0.7
59.01381	48.6
60.01699	1.3
61.98833	100.0
69.50531	1.6
69.50960	1.1
71.01385	6.5
72.01760	0.4
72.99292	0.5
73.02958	3.8
74.02469	0.7
74.03284	0.4
78.94389	0.3
83.01400	1.3
84.01707	0.3
85.02967	1.4
87.00889	0.8
87.04515	0.3
88.98805	0.4
89.02456	1.8
95.01384	0.3
97.03001	0.3
98.20600	0.4
99.00897	0.7
101.02467	4.0
102.02790	0.4
113.01913	0.2
113.02466	2.2
115.00391	1.9
116.04289	0.3
119.03502	0.9
130.08725	0.3
133.01439	2.6
133.03006	0.3
138.03194	0.3
143.51653	0.3
147.11761	0.6
148.12088	0.4
153.05566	0.6
154.99896	3.1
161.02377	0.4
161.04584	1.8
168.04221	0.4
173.08221	0.3
176.01099	0.3
179.03479	0.7
179.05626	0.3
191.03526	0.4
192.04283	0.5
193.01500	0.4
194.05753	0.4
207.06586	0.7
208.03685	0.7
209.08122	0.7
209.11674	0.6
213.09125	0.8
223.05931	1.3
234.02399	0.3
243.12292	0.7
255.02835	0.5
271.02167	0.8
271.18964	0.7
272.58435	0.3
283.11877	1.6
300.02838	1.3
301.03232	0.9
310.15601	0.3
317.10092	1.0
361.14767	0.4
373.22427	0.4
402.24353	0.5
431.18652	0.7
431.30701	0.3
432.09814	0.4
432.18961	4.0
432.25381	1.3
433.06964	0.8
433.14755	0.4
433.20096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2804
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
52.54929	0.6
59.01389	4.9
61.98834	7.9
70.83270	1.1
70.83608	1.2
72.87977	0.6
78.95908	2.2
84.07365	0.7
88.98804	1.7
105.27779	0.7
152.99603	4.7
270.67896	0.6
274.42447	0.6
369.24268	4.1
369.28204	2.2
371.25998	19.2
372.26306	2.7
387.29019	11.3
388.29459	2.0
392.85394	0.6
413.27023	2.8
420.75473	0.8
431.28058	100.0
432.28375	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3167
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
51.85219	0.1
52.60532	0.1
59.01368	0.6
61.98819	0.4
63.54958	0.1
64.99033	0.1
71.02407	0.3
71.02765	0.1
78.95902	3.2
90.38981	0.1
95.64286	0.2
96.96964	0.2
102.06041	0.1
113.63582	0.1
152.99605	4.5
153.99954	0.1
348.56427	0.2
387.32663	0.5
413.30573	3.5
414.30728	0.8
431.31662	100.0
432.32010	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	431.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.9
57.03447	1.1
57.44226	0.5
58.00601	0.8
58.02979	2.8
59.01380	94.6
59.06521	0.5
60.01708	3.0
60.19141	0.5
60.99302	0.9
61.01805	3.1
61.98830	5.6
69.45232	4.8
69.45653	0.8
70.02984	14.1
71.01387	13.1
71.01758	0.9
71.02519	0.7
71.05030	1.3
72.00915	0.9
72.01731	0.8
72.99322	1.2
73.01839	0.6
73.02956	8.1
74.03306	0.7
75.00893	1.0
75.03384	0.7
81.03490	0.7
83.01398	5.1
83.05038	1.0
85.02961	3.1
86.32268	0.5
87.00893	2.2
87.05684	0.6
88.04053	0.7
88.98834	4.7
89.02444	4.7
91.02876	0.6
93.87675	0.5
95.01405	0.7
95.02541	1.5
96.00926	31.2
97.01241	0.5
97.02946	0.5
97.06602	1.1
98.20655	0.9
99.00893	0.8
99.04566	0.8
101.02451	7.0
102.02809	1.0
103.02930	0.8
109.02952	1.0
109.06606	1.1
111.00895	0.8
111.08176	0.8
112.98843	0.9
113.02469	3.9
113.03587	8.2
114.01987	20.1
114.05650	0.6
115.00390	2.7
115.02942	0.8
115.77402	0.5
119.03519	1.0
123.08194	0.6
125.09763	0.8
127.05142	0.9
128.03600	0.6
131.04643	13.3
133.01460	2.1
133.06593	0.6
135.03050	0.8
135.04523	1.5
138.09286	1.6
138.10294	0.5
142.12416	0.5
142.99873	5.0
145.01445	1.2
145.09889	0.6
147.03064	0.6
147.11826	1.4
151.11322	1.4
152.10870	1.9
154.99883	32.3
156.00267	1.4
156.10306	1.5
161.04565	1.5
163.05058	0.7
165.04092	0.7
170.11884	2.7
173.00993	1.4
173.91927	0.5
175.02480	0.9
195.10194	0.6
198.08946	0.6
209.11789	2.8
211.07553	0.8
218.15547	0.8
220.16971	0.6
236.16615	2.1
238.18111	15.9
239.18454	1.5
252.19725	0.5
254.21233	1.1
255.19662	2.1
256.19171	9.9
257.17508	1.4
269.04489	0.6
271.09744	1.0
272.09613	0.7
273.13394	0.7
273.17041	0.6
292.33060	0.5
298.20230	1.7
313.16647	0.9
315.05191	0.6
315.08713	0.8
316.21317	13.8
317.21576	1.9
343.21085	0.7
353.20816	1.4
355.09427	0.6
365.15894	0.9
369.23917	1.6
370.22333	3.6
371.21991	2.3
389.21170	0.5
392.55032	0.5
395.10025	0.7
399.08524	0.6
413.22919	17.0
414.22751	2.4
431.19290	6.9
431.24036	100.0
432.19360	1.3
432.24365	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64329	0.2
55.01878	0.7
57.03456	1.2
58.00587	1.0
59.01380	100.0
60.01709	1.2
60.99310	0.8
61.98828	2.0
64.27403	0.3
69.03467	1.1
69.50988	2.7
71.01386	31.7
71.05022	0.4
72.01729	0.5
72.99310	1.6
73.02953	31.0
74.03305	0.5
75.00884	0.4
81.03474	0.6
83.01393	9.2
83.05029	0.4
85.02955	4.4
85.03438	0.3
87.00891	2.0
87.04462	0.2
88.98816	4.8
88.99329	0.4
89.02457	9.3
89.02986	0.5
95.01386	1.5
97.02978	0.4
99.00893	0.9
101.02457	29.2
102.02837	0.4
111.08182	2.3
113.02465	11.6
115.00401	0.4
115.04063	0.2
117.01972	0.4
119.03523	3.4
119.05015	0.3
125.02497	1.1
125.09775	0.5
130.08781	0.5
131.03513	2.6
135.02982	0.2
143.03517	3.1
147.02965	0.4
149.04573	3.5
153.09235	10.9
153.10472	0.6
154.09612	0.6
155.03555	0.8
155.10786	1.3
161.04591	7.2
162.04807	0.2
172.35866	0.3
175.02454	0.3
179.05678	1.0
191.14471	0.7
203.05679	0.7
209.15468	9.2
210.15900	0.8
221.06749	0.9
227.16498	2.0
307.61148	0.4
315.08713	0.3
371.20749	3.5
372.21262	0.6
389.21802	2.8
415.81989	0.3
431.22156	4.1
431.27859	0.7
432.23367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43362	0.1
59.01384	3.6
61.98832	100.0
64.37514	0.1
71.01389	0.7
71.61768	0.3
72.99329	0.2
73.02971	0.3
78.95924	0.3
80.02866	0.1
84.12349	0.1
84.92912	0.1
87.00900	0.2
88.98825	2.1
89.02465	0.2
98.47312	0.2
101.02467	0.4
113.02495	0.2
115.00410	0.3
121.02967	0.2
122.06159	0.4
135.04538	0.2
141.74281	0.1
154.02675	0.2
169.05157	0.3
175.02542	0.4
180.78241	0.1
187.13313	0.2
218.15933	0.1
250.06787	0.2
269.04639	0.3
279.11438	0.2
291.12463	0.3
291.62494	0.2
315.08817	0.3
328.60043	0.2
396.17447	0.2
410.75873	0.1
431.21484	0.2
431.26779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
61.32685	0.2
62.96405	0.2
63.13696	0.2
67.58985	0.2
78.70354	0.2
78.95910	55.7
86.25667	0.1
96.96973	6.7
98.20654	0.4
99.56290	0.2
123.31700	0.2
124.72113	0.2
150.98042	1.9
152.99606	100.0
153.99969	1.6
171.00667	3.9
277.21872	0.8
431.22064	7.9
432.22369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96402	0.3
63.19546	0.2
70.58875	0.3
70.59277	0.4
78.95909	76.6
81.94563	0.2
85.28621	0.2
86.68369	0.2
96.96973	5.8
100.89616	0.2
150.98041	2.0
151.88551	0.2
152.99605	100.0
153.99928	1.9
171.00673	2.6
197.98422	0.2
222.17871	0.2
231.94086	0.2
277.21716	1.0
431.22046	15.0
432.22372	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29663	0.2
55.01880	0.7
57.03443	0.8
57.48905	0.2
58.00587	1.3
59.01381	100.0
60.01710	1.0
60.99294	0.6
61.98839	1.6
69.03457	1.3
71.01386	33.4
71.05061	0.2
71.73785	0.2
71.74181	0.4
72.01720	0.7
72.99306	1.4
73.02952	34.2
74.02467	0.4
74.03289	0.7
75.00882	0.6
75.32322	0.2
78.47301	0.2
78.95930	0.2
79.90652	0.2
81.03469	0.5
83.01395	10.0
83.05038	0.4
85.02959	4.2
86.03318	0.2
87.00880	1.5
88.98816	3.3
89.02457	9.0
90.02768	0.3
95.01390	1.3
96.96015	0.3
97.02964	0.9
98.34592	0.2
99.00889	0.9
101.02456	32.7
101.62385	0.2
102.02785	0.6
111.08200	2.0
113.02464	14.2
114.02771	0.3
115.00415	0.4
117.02016	0.3
119.03522	4.2
125.02502	1.1
125.09721	0.4
131.03528	2.9
133.01413	0.3
135.04581	0.2
137.09727	0.3
143.03517	3.4
148.04118	0.2
149.04582	4.3
153.09219	11.8
154.09538	0.6
154.99913	0.3
155.03494	0.7
155.10753	0.8
161.04572	8.4
162.04893	0.4
179.05611	0.8
181.12343	0.2
191.14453	0.5
203.05545	0.9
209.12029	0.4
209.15475	10.9
210.15762	0.8
221.06635	1.2
227.16551	1.6
250.92114	0.2
251.12875	0.2
269.04398	0.2
289.33612	0.2
307.61011	1.0
371.20715	4.7
372.21246	0.4
389.21747	3.6
390.22040	0.3
431.22403	4.3
432.22748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99542	0.1
59.01381	3.5
60.99314	0.3
61.58308	0.2
61.98832	100.0
62.98542	0.1
71.01382	0.7
71.45243	0.3
73.02953	0.2
78.95913	0.2
83.01393	0.2
85.02978	0.2
87.00913	0.2
88.98815	2.0
89.02455	0.2
96.96034	0.2
101.02450	0.3
106.22682	0.1
106.23982	0.1
113.02519	0.2
115.00366	0.4
121.02968	0.4
126.58944	0.1
139.00395	0.2
144.06723	0.2
169.05029	0.2
175.02505	0.2
269.04565	0.3
307.10855	0.2
315.08798	0.3
431.10083	0.3
431.21625	0.3
431.26440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01881	1.9
57.03448	2.8
57.34245	0.8
58.00591	4.8
59.01378	87.5
60.99306	1.1
61.98831	65.9
69.03459	1.2
69.34898	0.8
69.45155	10.0
71.01385	81.2
71.29881	0.9
72.01719	1.8
72.99311	6.7
73.02950	15.4
73.04082	1.6
74.02491	2.2
75.00871	7.0
78.95898	8.3
83.01392	6.1
85.02956	18.2
86.02482	0.9
87.00870	6.0
88.04060	3.1
88.98812	6.1
89.02451	75.8
93.03439	0.9
95.01410	2.5
96.00936	2.3
96.96036	3.7
96.96988	2.9
97.02984	1.6
98.02475	1.5
98.20638	2.1
99.00863	2.3
99.04509	1.0
99.05666	1.0
99.92609	0.9
101.02457	42.4
102.02801	1.2
109.02984	1.8
110.02525	1.3
111.00934	1.5
113.02470	19.7
114.01987	1.1
115.00387	7.8
115.05132	1.6
115.08779	2.9
115.92061	1.3
116.42720	0.9
116.92882	1.0
117.01955	11.9
117.98701	1.0
119.03526	16.0
119.05035	26.2
120.01232	1.7
120.05389	1.4
120.99691	1.0
121.06663	0.9
125.02465	2.8
127.05148	1.6
128.03564	1.2
129.01967	1.5
129.10327	2.1
130.08788	3.0
131.03528	15.9
132.03067	2.0
133.01457	8.1
134.03833	0.9
135.03058	1.3
135.04543	4.0
137.02454	1.2
137.06119	2.8
138.05580	0.8
141.10344	0.8
143.03523	3.1
149.02579	2.0
149.04573	24.4
154.99861	1.3
155.08363	1.5
161.04579	5.5
169.09874	1.4
175.02507	7.2
179.03564	3.1
179.05676	5.1
181.09772	1.1
185.85599	0.8
186.45300	0.9
191.05618	8.4
192.06641	1.0
198.93393	1.1
200.14038	0.9
207.10303	1.0
209.08203	1.3
210.16092	1.6
214.15648	0.9
223.04674	0.9
267.09839	1.9
267.18317	4.0
269.10355	2.7
271.17789	1.0
285.19363	2.5
295.11960	1.0
297.10815	1.4
299.11392	27.1
300.11761	2.8
301.18948	1.3
313.13586	1.1
315.09509	1.4
315.20432	2.7
316.18732	2.1
357.17487	1.2
387.18665	1.5
413.20520	2.0
431.15671	100.0
431.21414	13.2
432.16028	13.8
432.22168	3.6
457.11978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03462	1.5
59.01380	100.0
60.01709	4.7
60.99319	0.8
61.01814	2.6
61.98832	70.1
69.03452	1.2
71.01384	25.0
71.05049	1.0
71.73283	0.9
72.99325	1.8
73.02952	25.3
74.02473	0.7
79.95803	0.7
83.01398	9.3
83.27548	0.6
85.02959	4.4
87.00898	1.8
87.82666	0.6
88.98804	4.8
89.02454	8.4
95.01415	1.2
97.02998	0.9
97.06627	1.7
99.00923	1.4
101.02457	21.6
102.02797	1.0
103.26964	0.7
105.01933	0.6
107.05047	0.9
113.02468	6.8
114.02785	0.8
115.00433	2.3
115.08824	1.3
119.03539	2.2
121.10255	5.7
122.10630	0.8
128.03525	0.7
130.08769	1.4
131.03564	1.3
133.01474	3.0
134.62039	0.7
135.03094	0.8
135.04594	2.0
137.09740	1.3
138.10052	0.7
142.99895	0.7
143.03516	1.9
145.06201	4.1
146.06255	0.7
149.04623	1.4
153.09467	0.6
154.99884	8.7
157.09995	1.3
160.08171	0.7
161.04582	4.6
161.09729	1.1
165.09213	5.5
179.05568	0.8
183.10371	1.9
187.11333	1.3
188.11702	1.2
189.09389	0.7
208.14220	0.8
223.13365	4.6
224.13765	3.5
225.14149	2.8
226.15488	1.8
227.15450	1.0
267.12317	4.2
268.12711	3.2
269.12878	5.5
271.09970	0.8
283.90161	0.7
327.14545	1.7
345.15509	3.6
359.13831	1.2
371.20755	1.2
387.16617	18.6
388.17349	2.2
389.21942	0.9
431.18564	7.8
431.23627	3.1
432.19653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01875	2.3
55.89201	0.9
57.03436	3.1
58.00574	3.5
59.01379	96.1
60.01696	0.9
60.99305	1.8
61.98828	6.7
69.03449	1.6
71.01389	87.4
71.05010	2.5
71.73540	1.0
72.01698	1.4
72.99319	5.6
72.99660	1.1
73.02950	22.9
73.04066	1.8
74.02477	5.8
75.00886	7.4
83.01414	6.6
83.05025	1.2
85.02954	17.9
87.00880	8.0
87.05647	1.6
88.98821	9.6
89.02455	100.0
90.02753	1.5
95.01387	2.2
96.00919	3.5
96.96033	4.9
97.02952	4.2
98.02483	1.9
99.00884	3.6
101.02458	46.8
102.02776	1.4
102.98593	1.6
103.05130	1.0
107.05054	2.2
109.02935	4.1
109.06595	1.6
111.00891	1.5
113.02464	16.3
113.03587	1.4
115.00375	7.0
115.04008	1.4
115.92027	1.4
116.92878	1.0
117.01962	10.9
119.03544	8.3
119.05037	11.3
120.01260	2.2
120.99635	4.0
121.02941	1.3
124.04032	3.4
125.02428	4.3
128.03513	2.6
129.01955	1.4
129.06691	1.3
129.10338	1.7
130.08740	4.8
131.03526	30.5
133.01469	7.6
134.03673	1.5
135.02969	3.8
135.04584	6.5
137.02454	1.6
137.06049	4.1
137.09700	1.7
138.05534	1.1
139.07607	1.3
142.99844	1.8
143.03474	1.8
143.11929	2.2
145.09775	2.2
149.04575	64.6
150.04884	2.8
154.99838	2.2
161.00998	1.1
161.04552	3.4
161.06021	1.6
163.03989	1.2
163.11263	1.4
165.09196	3.3
169.09811	1.4
175.02432	2.3
179.03522	5.5
179.05663	2.5
181.03291	1.7
181.08658	1.8
183.04372	1.0
185.08031	1.0
189.12766	1.4
191.05643	15.4
192.06535	1.3
207.10202	2.8
209.08253	1.5
219.08064	1.4
226.08818	1.2
251.12881	3.1
253.08763	1.5
256.20212	1.3
257.76385	1.0
269.10019	1.2
269.13782	2.7
270.07562	1.7
271.09750	1.2
272.09143	1.8
295.11868	3.8
299.11334	2.4
311.10944	1.3
315.08835	1.5
316.08542	1.4
366.16730	1.4
387.11911	2.5
387.22693	2.3
396.17801	1.3
413.20062	1.0
431.15479	56.6
431.24365	3.5
432.10095	1.7
432.15442	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	431.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46772	0.3
53.22470	0.3
59.01369	0.5
60.99306	12.4
70.85905	0.7
71.01398	1.5
88.98814	100.0
89.02438	2.6
89.99148	1.3
115.00378	3.5
120.94292	0.3
121.79859	0.3
126.61082	0.3
133.01450	9.8
135.04529	3.4
179.03502	3.7
209.75342	0.3
295.04794	0.6
333.81247	0.3
341.10913	0.8
342.10849	0.4
369.05344	0.3
427.54950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98625	0.3
55.50603	0.3
59.01375	0.8
60.99307	12.9
69.68607	0.3
70.85544	0.5
70.85926	0.7
71.01382	7.1
72.99311	1.0
85.02959	0.4
87.00920	0.4
88.98814	100.0
89.02452	3.1
89.99141	1.3
96.96011	0.8
115.00388	16.1
133.01448	61.9
134.01842	0.7
134.03755	0.9
135.01884	0.7
135.03491	0.6
135.04538	17.8
179.03508	21.4
191.28169	0.4
217.43585	0.3
275.75751	0.4
295.04587	3.9
341.11011	0.6
427.50723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2355
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
53.81553	0.7
57.03425	2.7
58.02953	1.6
59.01377	25.2
60.01690	1.3
61.98529	1.3
61.98832	23.7
66.03469	1.7
70.02940	0.9
71.01382	10.7
71.73752	0.8
72.99292	1.4
73.02924	2.2
73.04079	3.4
74.02477	26.2
75.00859	0.7
78.95906	1.0
82.02973	2.8
82.06604	2.9
83.01392	2.4
83.05017	0.9
84.04545	1.8
85.02958	9.1
85.04091	1.0
86.03300	0.7
87.00854	3.2
87.05647	2.3
88.04047	7.1
89.02430	3.0
96.00915	2.9
96.04545	2.0
97.04097	1.2
98.02466	3.0
99.05643	0.8
100.04020	0.9
101.02465	3.6
101.07219	14.8
102.05592	3.4
104.03522	1.9
107.05003	0.7
108.88418	0.7
109.01688	1.5
109.02945	1.0
109.04106	4.5
111.00867	3.3
111.05640	0.9
112.02778	2.1
112.04048	1.2
112.07675	1.6
113.02435	2.6
113.03538	1.4
114.01991	1.0
114.05599	1.5
115.00391	5.0
115.08765	3.7
116.05077	0.8
116.07172	2.1
119.04992	1.1
123.08234	0.7
124.04018	1.2
125.03544	2.4
126.09282	4.3
127.05155	29.9
128.03555	21.6
128.07127	0.8
129.01926	2.5
129.09415	0.9
129.10355	15.0
130.08755	10.9
133.01402	3.3
135.02939	1.2
135.04527	1.0
137.06078	0.9
138.09218	1.5
139.06012	0.9
139.08778	2.8
140.07204	4.4
141.06691	3.2
141.10342	2.4
142.06496	1.0
143.11909	16.2
145.06203	31.8
146.04546	3.2
149.02538	1.0
149.06084	0.8
152.07204	1.0
153.10313	3.0
154.80659	0.7
154.99803	1.3
155.11879	1.1
159.04440	0.8
161.04546	1.4
166.08702	1.5
169.09854	5.2
175.02422	1.7
179.03334	1.0
179.11823	2.1
180.10316	6.2
182.61403	0.7
183.11359	2.4
186.12451	2.6
187.09283	0.9
187.10887	10.5
187.12703	1.0
191.10663	0.9
193.13419	2.8
197.12929	2.8
197.16547	0.9
200.14035	2.2
205.03476	2.5
207.10190	2.1
208.13388	1.2
210.07607	1.4
219.11386	1.0
221.16557	1.1
222.12399	2.9
223.04547	4.2
223.10915	4.1
225.15985	3.2
228.17174	1.0
237.12439	1.0
238.19165	1.3
240.13503	1.7
241.11929	1.6
242.18674	0.9
254.15076	2.3
256.20300	7.8
257.20419	0.8
265.15445	1.6
281.11383	12.0
281.19788	2.5
292.20352	1.6
299.20853	6.5
300.19162	6.1
354.20316	2.0
366.11774	1.8
367.23447	2.5
368.24045	1.2
385.24240	2.1
385.29248	0.7
394.19989	1.1
399.25793	2.1
411.22485	35.8
412.22867	4.2
429.23367	100.0
430.17990	0.9
430.23978	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0985
Annotation	Emodin 8-glucoside
Peak:m/z	Relative Intensity
51.09061	0.1
51.48256	0.1
52.38089	0.1
57.03445	0.1
59.01380	2.9
61.73712	0.1
61.98831	38.4
65.74186	0.1
68.97262	0.1
70.88201	0.3
70.88567	0.3
71.01386	0.6
71.05048	0.1
74.16254	0.1
74.60249	0.1
78.95908	0.1
83.01415	0.2
83.15948	0.1
85.02959	0.3
85.95729	0.1
86.33336	0.1
88.98820	2.0
89.02455	0.2
101.02459	0.2
102.05605	0.2
113.02431	0.2
128.03557	0.5
158.42471	0.1
161.45276	0.1
175.00012	0.1
180.05859	0.4
181.06595	1.3
182.03746	0.4
185.06082	0.2
196.05370	0.2
197.06100	1.4
209.06136	0.2
210.03224	0.6
212.04781	0.2
213.05533	0.3
216.71220	0.1
224.04710	0.6
225.05571	18.0
226.05879	1.6
227.03548	0.4
227.07082	0.3
229.11298	0.2
237.05563	0.6
238.06279	0.2
240.04282	5.1
241.05034	3.8
242.05531	0.3
253.05080	0.4
254.05937	0.2
255.06689	0.4
265.05130	1.3
268.03738	0.2
269.04529	100.0
270.04868	9.0
280.03906	0.1
281.04642	0.2
282.05453	0.9
283.06110	0.3
293.04550	1.3
294.04910	0.2
311.05573	1.9
312.05991	0.2
313.12180	0.2
352.72955	0.1
371.24487	0.2
413.08380	0.3
430.24100	0.3
431.09824	55.3
432.10156	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03441	0.7
58.00597	0.4
58.14718	0.3
59.01379	100.0
60.01719	1.4
61.98834	1.0
64.50367	0.3
67.86978	0.4
69.17431	0.3
69.59034	0.3
69.81332	1.2
69.81763	1.1
71.01386	11.1
71.05036	0.4
72.01742	0.3
72.99316	0.7
73.02952	2.5
74.02462	0.5
75.02528	0.3
83.01411	1.3
85.02941	2.4
87.00897	1.4
89.02450	12.0
95.01414	0.6
95.13106	0.3
97.06620	0.4
99.00928	0.4
101.02464	6.3
107.05060	1.0
113.02457	5.5
119.03517	4.6
120.05888	0.4
126.04259	0.3
131.03595	0.6
133.01404	0.4
133.10182	0.4
137.09747	0.9
139.80746	0.3
143.03543	1.4
143.11821	0.4
149.04536	0.4
161.04562	2.1
161.09747	2.1
163.11304	0.6
179.05605	2.7
187.11246	2.6
189.09254	0.9
205.12431	1.5
206.12746	0.4
207.10361	0.9
207.13921	0.7
223.13399	13.0
224.13860	0.9
225.09540	0.4
225.15015	0.4
249.11354	1.2
261.52954	0.3
267.12357	15.8
268.12720	1.7
309.13583	0.7
369.19388	0.6
387.20367	0.4
399.22574	0.7
422.10226	0.4
429.17801	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.10024	0.3
57.03452	1.0
57.04078	0.3
59.01382	100.0
60.01703	1.4
61.98837	3.2
64.59756	0.2
69.03491	0.3
69.52508	2.3
70.77826	0.2
71.01389	11.6
71.05052	0.5
72.01740	0.5
72.99313	0.9
73.02950	5.6
73.04091	0.8
74.02482	0.6
74.03293	0.3
74.13795	0.3
83.01392	2.3
83.05070	0.5
84.51646	0.3
85.02963	3.5
87.00867	1.3
88.98812	0.7
89.02457	3.8
93.03471	0.4
95.01425	0.8
96.00964	0.8
97.02994	0.4
98.02560	0.4
99.00921	0.8
101.02456	6.9
101.03075	0.4
103.05150	0.5
113.02460	4.1
115.00410	2.2
116.07220	0.7
119.03553	1.2
119.05043	0.7
120.01297	0.5
123.08202	0.8
125.02448	0.4
128.03560	0.4
129.10396	0.7
130.08760	3.6
131.03548	0.6
133.01463	2.4
133.02995	0.4
135.03040	0.9
135.04552	1.6
137.09753	2.0
143.03596	0.7
149.04657	0.4
153.09268	0.7
159.03174	0.3
161.04593	2.6
163.11325	1.1
169.09909	0.3
174.02008	0.7
175.02501	1.1
176.00323	0.4
179.03497	0.8
179.05620	0.6
185.16641	0.8
186.12567	0.3
186.42256	0.3
189.12872	1.6
190.57184	0.3
199.18040	0.3
203.05551	0.6
205.12401	0.4
207.10385	0.6
207.13931	1.8
223.13582	0.4
225.14940	1.7
229.15730	0.3
267.12323	0.6
269.08093	0.5
271.15579	1.0
281.20267	0.3
282.35110	0.3
298.25238	0.7
299.20950	0.8
323.15973	0.3
369.19394	1.0
387.20233	3.4
394.20108	0.9
399.21759	0.4
399.26477	0.7
429.17645	1.9
429.22531	0.6
429.27106	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34412	0.3
57.03463	0.5
58.00595	0.5
59.01379	100.0
60.01701	0.8
61.98833	0.5
65.37114	0.3
71.01389	11.8
72.86153	0.3
72.99333	0.6
73.02961	1.3
75.53246	0.3
83.01392	0.9
85.02964	2.5
87.00909	0.8
89.02451	16.6
90.26736	0.3
95.01402	0.7
97.77795	0.3
99.00887	0.4
99.17992	0.3
101.02458	6.4
101.03085	0.5
113.02467	5.5
115.00401	0.4
119.03515	7.4
120.03992	0.3
126.98326	0.5
131.03540	1.0
133.01419	0.6
137.09767	1.6
143.03522	2.0
149.04610	0.5
161.04593	2.9
179.05632	5.1
222.63100	0.4
223.13376	1.6
229.32619	0.4
265.89380	0.3
267.12427	1.4
369.19244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03455	1.6
58.00586	0.5
59.01381	100.0
60.01719	1.1
61.98830	0.6
67.01907	0.2
67.99773	0.2
69.03453	0.7
69.39413	2.4
71.01386	22.0
72.01730	0.4
72.99317	0.6
73.02953	7.6
75.00885	0.4
76.63528	0.2
81.03464	0.3
83.01398	3.5
83.05034	0.5
85.02960	9.8
86.00118	0.8
87.00884	4.0
89.02452	4.1
95.01418	1.7
97.02980	0.8
99.00887	3.1
101.02457	15.1
102.02779	0.3
107.05047	0.2
107.49364	0.2
111.00861	0.3
113.02464	9.5
115.00390	0.5
119.03532	1.4
125.02463	0.8
127.04056	0.2
129.01932	0.5
131.03493	0.2
133.01476	0.5
135.08229	0.3
136.16472	0.2
137.09769	0.2
143.03500	1.3
159.03015	1.9
161.04572	9.5
161.09743	0.8
162.04991	0.3
163.10001	0.4
163.11298	5.4
164.11613	0.3
165.12845	0.5
181.12367	1.3
182.33931	0.2
182.94461	0.2
187.11241	0.6
189.12845	0.3
203.05603	1.1
205.12354	0.5
207.10312	0.3
207.13855	1.1
223.13437	2.1
225.14983	2.8
226.15298	0.4
229.12314	0.5
231.13857	0.2
267.06430	0.2
267.12381	2.4
279.15854	0.3
288.80872	0.2
301.42569	0.2
307.15414	0.3
325.16568	6.6
326.17062	0.5
343.17621	2.6
344.18060	0.3
351.18021	1.0
363.55576	0.2
367.17706	0.8
369.14511	0.2
369.19174	6.9
370.19553	0.7
385.18732	0.7
387.20230	13.5
388.20648	1.3
429.21307	13.8
430.21707	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.3
58.00573	0.7
59.01377	100.0
59.48524	0.3
60.01707	1.3
61.98830	1.9
64.66026	0.4
66.03204	0.3
69.67934	0.6
69.68341	2.2
71.01383	11.9
71.05034	1.0
72.99318	0.5
73.02955	3.6
79.72166	0.3
83.01400	2.2
83.05051	0.8
85.02953	3.2
87.00890	1.8
89.02454	8.3
89.02991	0.5
95.01395	1.0
97.02947	0.4
97.06626	1.3
99.00906	0.8
101.02456	6.5
107.05058	2.3
113.02453	5.9
119.03500	3.2
120.05822	0.9
131.03519	0.6
132.41229	0.3
133.01462	0.4
135.04564	0.7
137.09741	2.1
143.03516	0.7
149.04544	0.4
152.04832	0.4
159.08186	0.5
161.04576	2.3
161.09721	3.8
161.13383	2.3
162.10097	0.4
163.11337	1.3
179.05656	1.5
187.11288	6.1
187.12823	0.5
188.11586	0.4
189.09256	2.2
189.12961	0.4
192.11597	0.5
205.12331	2.3
207.10344	1.9
207.13911	4.1
208.14349	0.4
223.13390	27.6
224.13867	1.8
225.14987	3.4
226.15335	0.7
229.12375	0.6
249.11269	2.0
267.12347	34.8
268.12668	3.1
309.13501	0.6
324.06146	0.4
369.15375	0.6
369.19186	2.3
387.20288	1.1
429.17468	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03454	1.9
58.00595	0.5
59.01380	100.0
60.01723	1.3
61.98821	0.4
69.03448	0.5
69.81200	2.1
71.01386	14.2
71.05009	0.3
72.01720	0.4
72.99325	0.5
73.02953	6.5
73.48721	0.2
73.95898	0.3
74.19054	0.3
82.66297	0.3
83.01392	2.1
83.05017	0.4
85.02955	4.5
87.00412	0.4
87.00872	2.3
89.02453	8.2
92.94561	0.3
95.01402	1.5
96.00938	0.5
97.02972	0.5
97.06609	0.9
99.00904	0.8
101.02457	9.6
107.05029	1.6
113.02467	7.6
114.02772	0.5
115.00469	0.3
119.03521	2.7
120.05843	0.7
120.95642	0.3
121.30527	0.3
125.02477	0.6
131.03542	0.9
133.01463	0.4
135.04570	0.7
137.09727	0.8
143.03526	1.2
149.04610	0.5
151.11354	0.5
153.09271	0.3
156.22040	0.3
161.04591	3.2
161.09715	2.6
161.13371	1.4
163.11325	1.1
179.05641	1.6
181.12321	0.4
187.11288	3.9
188.11571	0.3
189.09329	1.4
189.12834	0.6
192.11661	0.4
195.14079	0.4
203.10867	0.5
205.12373	1.2
207.10326	0.9
207.13849	2.4
223.13414	14.8
224.13797	1.2
225.14980	3.1
229.12404	0.6
249.11290	1.7
267.12357	17.8
268.12723	1.4
322.35873	0.3
342.06003	0.3
369.19223	1.2
376.50342	0.3
387.20306	2.2
401.74854	0.3
429.17038	1.7
429.22849	0.4
430.25558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
58.00591	0.7
59.01379	100.0
59.90139	0.7
60.01726	1.3
69.03453	0.8
70.49160	1.5
70.49554	2.3
71.01385	16.5
71.05025	1.4
73.02953	3.5
83.01407	3.1
83.05033	1.2
85.02972	3.6
87.00879	5.6
89.02455	12.9
93.02883	0.8
95.01378	1.1
95.05074	0.9
97.06625	1.7
101.02462	7.6
107.05054	5.8
113.02470	8.1
119.03520	3.8
120.05856	2.4
130.97594	0.8
135.04558	1.5
143.03459	1.0
157.06616	0.9
159.11794	1.4
161.04555	2.8
161.09731	10.6
161.13370	5.0
162.10156	0.8
163.11324	3.1
179.05653	1.3
187.11301	18.5
188.11650	1.0
189.09271	4.5
203.10754	1.5
205.12334	5.2
207.10315	3.9
223.13394	67.5
224.13707	4.3
229.12297	1.0
249.11223	4.3
267.12357	90.9
268.12738	8.0
292.35004	0.7
309.13458	1.1
326.16785	0.8
369.15219	1.0
369.19467	1.1
429.17429	13.6
430.17941	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03451	1.4
58.00588	0.6
59.01379	100.0
60.01722	1.5
60.99329	0.3
61.98845	0.4
63.10701	0.3
69.03455	0.4
70.19313	1.3
71.01386	14.5
71.05058	0.7
72.99309	0.7
73.02950	6.5
78.51711	0.3
83.01393	2.6
83.05031	0.7
85.02958	3.7
87.00881	3.2
89.02453	7.3
91.55294	0.3
95.01413	1.4
95.05077	0.3
97.02968	0.4
97.06612	1.1
98.19907	0.3
99.00908	0.6
101.02454	9.1
107.05026	2.9
109.06607	0.3
113.02466	7.4
119.03513	2.6
120.05838	1.1
131.03516	0.8
133.01457	0.8
135.04544	0.7
137.09743	0.4
138.06882	1.7
143.03529	1.0
152.04803	0.5
153.09227	5.3
157.06671	0.5
159.08223	0.4
159.11891	0.3
161.04584	3.3
161.09731	4.6
161.10922	0.5
161.13358	2.2
163.11328	1.0
169.10410	0.4
179.05656	1.1
181.12349	0.5
185.09770	0.4
187.11290	7.7
189.09225	2.9
193.65678	0.3
203.10835	1.1
205.12335	2.0
206.12784	0.4
207.10280	0.9
207.13950	1.6
223.13391	24.0
224.13712	1.5
225.14964	9.3
226.15218	0.7
229.12292	0.7
231.10243	0.5
249.11331	2.6
267.12357	27.9
268.12680	2.3
309.13449	0.6
369.19385	1.6
369.47101	0.3
387.20340	2.5
388.20560	0.5
429.17233	3.3
429.21188	0.7
429.22809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05090	0.3
55.01890	0.4
56.91993	0.4
57.03453	4.6
57.12456	0.3
58.00592	0.7
59.01382	100.0
59.86507	0.3
60.01717	1.6
61.98844	2.5
71.01392	15.4
71.05035	0.6
71.07426	0.7
71.07802	0.7
72.99318	0.9
73.02957	6.6
73.04083	1.4
74.03297	0.7
75.00880	0.7
78.95927	0.9
81.71661	0.5
82.61521	0.4
83.01406	4.3
83.05040	1.0
85.02965	4.2
87.00883	2.8
88.84710	0.3
89.02457	9.2
95.01417	1.7
95.05084	0.7
96.00935	3.2
97.06616	1.1
98.93215	0.3
99.04540	0.7
101.02465	9.6
102.02771	0.4
107.05039	3.2
107.33290	0.4
113.02461	7.8
115.00422	1.3
119.03543	3.6
119.05001	0.5
120.05818	0.6
123.08237	0.4
128.03651	0.3
129.53456	0.4
130.08788	0.5
131.03555	0.9
133.01462	1.4
135.04568	1.3
137.09729	0.6
143.03561	0.8
159.08167	0.4
161.04601	2.9
161.09753	2.9
161.13373	2.4
163.11343	1.5
175.02553	0.8
179.05688	1.7
187.11292	4.3
189.09236	1.1
200.65726	0.3
203.10738	0.6
205.12360	2.9
207.10234	3.8
207.13861	2.4
208.10577	0.5
223.13403	26.7
224.13739	2.1
225.14978	1.1
229.12321	0.8
249.11270	2.7
267.12381	41.0
268.12723	3.0
309.13571	1.4
320.09909	0.5
337.17682	2.0
348.15164	0.6
348.65030	0.4
369.15320	0.7
369.19287	1.2
386.11328	0.5
387.20227	1.7
429.17181	3.1
429.21304	0.6
429.22784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
61.98832	0.9
68.41714	0.3
71.01384	2.0
71.37380	0.7
83.67264	0.3
87.00883	100.0
88.01238	1.9
88.04035	0.4
89.02443	2.6
101.02460	1.3
107.54739	0.3
113.02486	0.9
119.03545	0.9
179.05659	1.3
228.20636	0.3
341.10886	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	429.1251
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
55.39959	0.3
59.01385	3.2
61.98829	0.5
71.00109	0.9
71.01394	1.7
72.97709	0.3
85.02968	0.4
87.00887	100.0
88.01213	1.8
88.04038	0.5
89.02464	3.1
89.65958	0.3
91.62685	0.3
101.02451	0.7
113.02458	1.0
116.62748	0.4
119.03502	0.9
120.01254	0.3
137.02460	0.3
143.46062	0.4
149.01537	0.3
157.72142	0.4
161.04524	0.4
172.77368	0.4
179.05611	1.9
286.39050	0.4
341.10925	8.3
356.20874	0.4
429.12717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
57.03180	1.1
57.03450	17.4
57.66177	0.6
58.99602	1.6
59.01378	14.5
61.98829	3.0
64.11990	0.6
64.76781	0.6
66.87215	0.6
67.01884	1.4
68.99811	1.0
70.02971	0.7
71.01386	14.1
72.99300	2.4
73.02586	0.6
73.02940	4.3
74.02486	4.3
75.00876	2.4
82.21445	0.7
83.01399	10.2
84.02174	3.8
84.91196	0.6
85.02959	100.0
85.63788	0.6
86.03297	2.0
87.00894	2.7
87.05629	1.0
88.04053	2.6
89.02468	2.1
96.00944	1.2
96.95999	0.7
97.06577	0.6
98.02528	0.9
99.00898	1.8
101.02455	8.6
102.05644	0.7
102.98604	6.9
104.03544	0.7
109.02916	0.7
111.00893	29.9
112.01258	1.2
113.02462	1.9
113.03626	0.7
114.01996	0.7
115.00380	5.1
115.04108	0.7
115.08797	1.9
116.07188	1.3
116.92838	0.8
119.03454	0.6
120.01248	2.1
121.02961	2.2
125.02464	0.8
126.17249	0.7
127.05147	2.2
128.03549	2.2
129.01961	43.2
129.10335	1.6
130.08762	3.2
133.01434	6.5
133.02975	0.9
134.03767	4.9
135.03006	0.7
135.04568	4.2
143.11876	1.2
145.06256	0.7
147.04631	0.6
149.02454	8.4
149.06096	2.1
154.99873	0.9
155.11935	1.6
161.04567	3.7
163.04047	1.0
163.07666	0.6
164.04829	5.4
166.08749	1.4
169.09761	0.7
173.00824	0.6
173.40680	0.6
174.02026	1.0
175.02487	0.9
178.02736	2.8
179.03482	1.8
180.10368	0.8
181.05002	0.8
187.02528	1.2
190.02708	0.8
193.01434	0.8
193.05063	2.7
205.03534	29.5
206.03780	1.0
208.03720	1.3
223.04378	16.5
223.06218	5.2
224.04881	1.2
256.20367	1.0
269.08215	1.0
271.40826	0.7
283.04929	6.0
295.21390	0.8
314.20609	0.8
385.88733	0.6
399.26236	1.2
411.22607	1.5
429.13495	4.2
429.23523	6.3
429.27692	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30501	0.4
59.01377	100.0
59.57454	0.4
60.01713	1.0
61.98826	1.5
70.63453	0.9
70.63849	0.9
71.01401	0.8
86.51023	0.4
91.04030	1.7
96.05540	0.4
107.02158	0.5
115.00335	0.6
133.01443	0.7
143.35178	0.4
171.10300	0.8
190.70610	0.4
203.29362	0.5
235.17073	1.0
275.20157	3.5
276.20563	0.7
292.32730	0.4
293.21237	5.5
294.21484	0.7
338.67017	0.4
427.24973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75957	0.7
54.47239	0.6
59.01379	100.0
60.01731	0.7
61.39837	0.7
61.98834	4.9
64.34443	0.6
65.87318	0.6
70.43115	0.7
70.85574	2.1
71.01379	2.0
91.04024	2.6
96.96047	3.3
108.22001	0.6
110.99817	0.8
133.01462	1.7
171.10310	1.1
185.48613	0.7
221.17125	0.9
222.05067	0.8
275.20102	1.8
293.21210	8.6
294.21573	1.4
330.76297	0.8
397.27484	5.9
427.20200	1.2
427.29300	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97078	0.6
57.03437	1.7
58.74601	0.6
59.01377	1.1
62.19001	0.6
63.42811	0.5
64.58478	0.5
71.01386	12.4
71.40632	1.3
72.99297	2.9
73.14679	0.5
85.02962	7.3
87.00879	9.3
89.02467	2.5
111.00880	1.5
115.00386	38.7
116.00738	1.1
117.99819	0.6
128.03575	1.3
129.01935	2.1
133.01448	100.0
134.01773	2.2
135.04544	5.0
146.04602	0.9
179.03517	4.7
186.33960	0.6
196.79214	0.6
205.03575	2.1
223.04544	1.2
295.04547	0.8
341.10953	1.0
377.86081	0.6
429.19946	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	429.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95480	0.6
58.00619	0.6
59.01383	11.4
61.98829	2.9
62.37523	0.6
66.30057	0.6
71.01379	4.4
71.72186	0.7
72.99315	4.0
75.00878	43.7
76.01243	0.7
87.00911	0.6
89.02453	7.0
99.00910	1.1
101.02509	0.6
111.04553	0.6
115.00405	1.0
117.01961	1.8
120.05328	0.6
128.62511	0.6
133.01439	1.4
135.03017	90.7
136.03381	1.7
150.40883	0.7
181.06633	0.9
193.76361	0.6
199.07623	1.0
209.06010	1.0
211.07668	0.9
221.06113	4.6
223.07634	1.1
225.05519	0.7
235.09714	0.6
237.05565	13.4
238.06088	2.4
239.07141	9.1
240.07452	0.9
249.05632	1.8
251.07169	3.4
254.05865	2.0
255.06609	9.3
265.05051	12.8
266.05386	1.0
267.06622	31.2
268.06894	3.7
278.05954	0.8
279.06641	6.4
281.04544	1.0
291.06754	0.8
293.04556	100.0
294.05096	20.1
295.06049	14.6
296.06442	1.6
305.08194	0.6
307.06119	2.3
309.03949	0.9
311.05603	2.1
320.06839	1.4
321.04056	23.7
321.07425	1.3
322.04410	2.1
323.05573	9.5
324.06003	1.8
329.23276	1.2
333.03934	1.4
337.07059	0.9
339.05121	0.8
349.07315	2.0
351.05115	12.7
352.05533	1.9
367.08246	6.1
383.07813	7.7
384.08063	1.0
385.08759	0.9
411.01941	1.3
411.07227	18.4
412.07736	3.3
429.08234	0.7
429.26660	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29859	0.6
59.01379	100.0
60.01726	1.0
61.98830	3.9
71.01392	1.5
71.73847	0.6
93.58234	0.8
114.68847	0.6
178.89233	0.6
264.39462	0.6
293.21399	1.0
397.27423	0.6
427.28903	6.7
428.29239	1.6
432.77850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70137	0.4
59.01382	100.0
60.01715	1.3
61.98835	12.3
65.30400	0.3
68.27261	0.3
70.47361	0.3
71.01411	0.6
71.71744	0.4
81.92408	0.5
89.69351	0.3
110.59037	0.4
115.00443	0.5
133.01511	0.5
427.29462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40016	0.3
55.01876	1.3
57.03450	1.2
58.00596	1.0
59.01379	100.0
60.01714	1.2
61.98832	3.4
65.75499	0.3
69.03462	1.1
70.49048	1.3
71.01386	38.2
72.01739	0.5
72.99318	1.5
73.02950	34.6
74.02485	1.0
74.03281	0.5
75.00869	0.5
81.03492	0.4
83.01392	10.1
83.01866	0.6
83.05036	0.4
85.02959	7.9
85.03443	0.5
87.00878	2.1
89.02453	13.3
89.02988	0.7
95.01392	2.2
97.02956	0.7
99.00913	1.5
99.04537	0.5
101.02456	33.8
102.02791	0.5
107.05141	0.4
107.07146	0.3
109.03026	0.3
109.06606	0.5
111.00919	0.5
113.02462	18.0
114.02801	0.5
115.00398	2.3
115.04048	0.4
116.05088	0.9
117.01955	0.4
119.03511	4.6
119.05027	0.7
123.04615	0.3
125.02485	1.5
125.06123	0.4
128.03560	0.7
131.03526	2.1
133.01463	1.3
135.04587	0.9
135.08221	0.6
135.11838	1.1
137.06113	0.8
139.07680	0.4
141.06844	0.3
143.03564	2.5
149.04585	2.2
151.07658	1.9
153.09232	12.7
153.53178	0.3
154.09633	0.5
155.03557	0.9
157.01427	0.7
159.11836	0.7
161.04568	9.4
161.09747	3.4
162.04967	0.5
165.05545	0.4
175.02528	1.9
175.07655	0.7
177.12846	1.7
179.05650	1.6
179.10791	7.4
203.05684	0.7
203.08307	0.9
203.10867	1.3
205.12338	20.2
206.12730	2.0
221.06737	0.7
222.12529	0.6
223.09666	3.3
223.13391	4.2
224.13719	0.5
244.57692	1.6
265.10724	0.4
267.12610	0.4
269.13980	0.4
346.13571	0.7
349.21021	0.4
367.17618	6.3
367.21964	0.6
368.18115	0.5
385.18692	4.9
386.18988	0.8
387.34387	0.3
427.19983	4.6
427.25000	1.6
428.20374	0.7
428.25797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03447	1.5
58.00587	0.6
59.01379	100.0
60.01719	1.4
69.03448	0.9
71.01385	33.0
72.99320	2.0
73.02950	44.3
74.03310	1.5
77.57056	0.6
81.03441	0.7
83.01392	11.9
83.44587	0.6
85.02960	4.9
87.00880	1.1
89.02448	14.8
93.22446	0.6
95.01416	1.6
97.02950	0.8
99.00886	0.9
101.02456	37.6
102.02769	0.8
113.02470	17.2
119.03530	5.5
123.08186	1.7
125.02493	1.3
131.03523	2.7
135.08209	0.8
143.03500	3.3
147.08231	1.4
149.04620	4.1
152.60350	0.6
153.09242	8.7
154.09564	1.0
161.04568	10.6
165.09236	0.8
179.05667	2.7
187.11359	1.5
190.10057	1.3
203.05717	1.8
203.10727	0.8
205.12334	12.3
206.12691	1.1
221.06676	0.9
223.13460	2.3
229.79005	0.8
277.86960	0.6
329.94238	0.6
367.17630	5.1
385.18640	5.8
427.19540	4.4
428.20090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
55.98478	0.3
57.03434	1.1
57.03728	0.4
58.00592	0.9
59.01381	100.0
60.01710	1.3
69.03476	0.7
71.01389	26.9
71.18969	0.9
71.19274	0.4
72.99318	1.2
73.02954	31.2
74.03299	0.5
83.00906	0.7
83.01393	9.4
85.02969	5.1
87.00877	0.7
89.02448	9.7
89.02982	0.6
93.91621	0.4
95.01420	1.0
97.02973	1.3
98.20559	0.4
99.00914	1.0
101.02459	30.7
102.02826	0.4
105.07173	0.5
111.04565	0.4
113.02461	11.9
113.06088	0.5
119.03502	3.3
122.03838	0.6
123.08199	1.4
125.02477	1.1
125.06133	0.5
131.03555	2.3
131.82541	0.4
135.08194	0.7
136.05334	0.6
138.06909	3.7
139.07695	1.2
143.03535	2.8
147.08202	1.0
149.04617	2.9
151.07719	3.7
152.08469	9.2
153.09244	30.9
154.09592	1.9
155.03572	0.8
161.04596	8.2
161.09691	0.5
163.11308	0.5
172.69627	0.4
179.05675	1.9
187.11301	1.4
203.05667	1.0
205.12347	15.8
205.14288	0.9
206.12764	1.2
223.13390	4.4
270.38754	0.4
367.17639	3.4
368.18521	0.5
385.18677	2.7
427.19968	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	427.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03435	1.7
58.00599	0.8
59.01376	42.1
61.98832	1.4
63.27913	0.7
69.86294	5.3
71.01385	32.3
72.99329	1.5
73.02956	14.2
74.02464	0.9
83.01392	7.0
85.02957	17.8
87.00884	1.7
88.00385	1.0
88.04064	1.0
88.98800	3.8
89.02469	4.6
95.01419	2.0
97.02969	1.0
99.00903	5.6
101.02454	39.1
111.00848	1.2
113.02464	15.1
115.00395	2.6
125.02451	1.1
127.05163	0.9
131.03455	0.8
133.01433	3.8
135.04510	0.8
143.03493	1.8
143.07082	0.8
154.99809	0.9
159.03011	2.6
161.04576	13.2
165.00037	0.8
166.00957	1.0
181.03291	2.4
235.11862	100.0
236.12149	6.1
245.09631	0.9
253.41637	0.8
327.08792	1.3
327.53989	0.8
367.16104	69.5
368.16544	5.8
383.19064	1.2
427.16647	3.7
427.25610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31308	0.4
59.01379	15.1
60.01710	0.6
61.98832	100.0
62.98552	0.3
70.22781	1.2
70.23199	0.8
71.01408	0.7
85.06598	0.6
87.71281	0.4
97.06618	1.7
127.07555	0.4
184.73175	0.3
191.40709	0.3
198.61110	0.4
329.21204	1.9
363.76758	0.4
399.25397	1.1
405.96500	0.4
427.28644	10.3
428.28967	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03451	1.2
58.00597	0.9
59.01379	100.0
60.01715	1.1
61.98841	2.8
69.03464	0.9
69.41114	1.1
69.41541	2.3
71.01386	27.2
72.01752	0.6
72.99316	1.2
73.02952	30.1
75.00877	0.7
77.78532	0.3
83.01393	8.3
85.02955	4.8
87.00902	1.3
89.02457	9.2
89.02991	0.5
93.88911	0.3
95.01408	1.7
95.05078	0.3
97.02974	1.4
99.00909	0.8
101.02456	28.1
102.02793	0.7
103.04095	0.4
103.05154	0.4
105.07121	0.4
107.05020	0.5
109.06597	0.4
113.02470	11.4
113.06110	0.8
114.05637	0.7
115.00403	0.5
119.03499	3.4
123.08125	1.7
125.02482	1.1
125.06082	0.9
125.09750	0.5
131.03510	2.2
133.01482	0.6
135.08174	0.8
136.05365	0.6
138.06883	4.8
139.07695	1.9
143.03540	2.5
147.08221	0.9
149.04573	2.5
151.07666	4.8
152.04863	0.4
152.08452	10.2
153.09232	34.7
154.09584	1.7
155.03474	0.8
161.04565	8.2
161.09821	0.4
162.04933	0.5
163.11304	1.1
165.09248	1.2
179.05620	1.6
179.10773	0.8
187.11369	1.6
190.10028	0.8
203.05685	1.1
205.12343	16.5
206.12698	1.6
221.06702	1.1
223.13399	5.1
238.22113	0.3
352.10712	0.3
364.18750	0.5
367.17590	3.6
385.18668	3.1
427.20221	1.9
427.25284	0.5
428.19580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25568	0.8
55.01867	3.0
57.03443	1.8
59.01379	47.0
61.98834	15.0
69.03453	1.1
70.02975	0.9
71.01388	43.2
71.71323	1.7
72.01747	1.1
72.99309	2.4
73.02953	15.6
74.02477	3.7
78.95919	2.4
81.02227	4.0
82.02983	2.0
83.01385	7.0
83.02509	5.9
84.00918	12.2
84.04531	0.9
85.02959	19.6
85.88257	0.8
87.00880	2.1
87.05676	0.8
88.04059	3.2
88.98820	10.2
89.02471	7.7
95.01413	2.9
96.00913	9.6
96.96004	1.0
97.02991	1.8
98.02495	13.6
99.00890	7.5
99.92628	1.6
101.02455	41.8
102.02814	1.0
108.02170	2.7
109.02950	0.9
109.04089	1.4
110.02492	6.4
112.04060	5.1
113.02461	17.5
113.03310	1.2
113.03609	1.9
114.01968	1.5
114.05595	1.4
115.00391	8.4
115.08790	29.4
115.92086	1.8
116.07196	1.5
116.92848	1.1
119.03507	3.7
119.05018	2.7
121.03015	1.0
123.04575	8.5
125.02533	2.2
125.07249	1.9
127.05151	2.9
127.08794	2.5
128.03545	3.7
129.01967	2.3
129.06689	1.0
129.10393	1.3
130.08762	42.9
131.03575	1.9
131.04640	1.8
131.09074	1.5
133.01468	8.0
134.03702	2.8
135.04564	3.0
136.07661	1.7
138.09270	17.2
139.08781	2.0
140.07217	0.9
141.06755	1.5
141.10355	1.9
143.03537	1.8
143.07120	1.0
149.06081	1.7
154.99915	2.0
155.01712	1.4
155.08272	10.0
159.02991	3.2
160.07646	1.8
161.04594	14.4
161.05922	1.0
163.04088	1.9
165.00175	2.7
165.10283	1.4
166.00905	2.0
166.08749	2.2
169.09845	6.7
171.07784	2.0
179.03488	1.7
179.11906	3.3
181.03308	5.0
191.03606	0.9
194.06949	3.2
195.11401	2.3
197.98341	0.8
198.82896	0.9
202.83208	0.9
204.06660	1.5
205.03566	1.7
205.09879	2.1
205.12315	3.6
210.09135	1.0
223.10896	12.0
225.02139	3.0
227.13959	1.0
235.11870	100.0
236.12131	5.2
245.09547	1.0
248.05515	0.8
249.07635	2.8
252.09868	1.6
266.06607	4.6
267.09842	79.8
268.06827	0.8
268.10156	5.7
269.15222	1.1
293.11380	2.0
295.12973	1.4
311.07773	2.5
311.12482	8.7
312.19534	1.0
327.08734	2.0
366.29385	0.9
367.16071	77.7
368.16455	8.3
383.19348	54.3
384.19662	7.9
409.16110	1.1
409.20917	1.1
425.72964	0.9
427.17166	2.5
427.21777	18.2
428.21591	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48809	0.6
55.01869	1.4
57.03449	78.2
58.00590	1.1
58.03799	1.1
59.01381	100.0
60.01722	1.4
61.98830	5.2
69.03481	0.6
69.43237	2.9
69.43673	3.5
71.01387	28.4
72.01719	0.8
72.99332	1.3
73.02952	11.9
78.95927	1.8
81.03432	1.1
83.01391	5.7
83.05058	0.7
85.02956	11.1
85.60675	0.7
87.00884	4.1
89.02472	4.3
95.01417	1.7
97.02962	1.0
99.00912	2.7
99.04531	66.5
99.47871	0.6
100.04888	1.6
101.02454	33.2
102.02804	1.1
109.02956	0.7
112.98895	1.1
113.02472	9.2
115.00380	5.7
119.03550	1.3
119.05078	2.2
121.06586	0.7
123.04557	0.8
123.08196	1.1
125.02456	17.9
126.02815	0.6
130.08795	0.9
131.03539	0.8
133.01450	2.9
135.04541	1.8
136.05275	0.8
143.03520	3.1
147.93503	0.6
149.06215	0.7
151.07666	1.0
153.09224	3.8
154.99902	0.9
157.01514	2.1
159.03015	1.9
161.04588	7.8
161.09714	0.8
163.04027	0.9
165.09189	1.2
175.02490	4.7
179.03448	0.7
179.10780	0.8
187.11319	1.4
203.14360	0.7
205.12305	4.7
221.11824	0.7
223.13406	11.4
224.13669	0.8
265.10757	1.1
269.13962	3.6
283.11877	19.4
284.12341	2.0
325.13028	0.8
367.17526	1.1
381.56033	0.7
385.18921	1.9
427.15121	6.0
427.20392	2.8
427.29324	1.0
428.16208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03450	27.6
58.03791	0.6
59.01381	58.2
61.98831	7.6
64.13042	0.3
69.03452	1.1
71.01389	9.9
71.35369	0.3
71.73783	0.4
72.99329	0.7
73.02956	8.2
74.03273	0.3
79.05521	0.4
81.03484	0.4
82.03013	0.4
83.01395	2.9
83.05051	1.3
85.02957	3.9
87.00908	1.2
89.02460	1.5
93.03455	0.4
95.01406	0.5
95.05038	3.0
97.02982	1.2
97.06607	0.6
99.00910	0.9
101.02457	8.5
101.03086	0.6
102.02841	0.3
107.05077	0.9
108.02169	0.6
109.02981	1.1
109.06639	0.9
111.04571	0.5
112.93770	0.5
113.02465	3.6
114.05604	0.5
115.00405	0.9
116.07281	0.4
119.03593	0.5
119.05077	1.7
119.08668	1.4
120.05814	1.7
121.06618	2.2
122.03779	1.0
123.04556	3.1
123.08185	10.6
124.05325	0.6
124.08518	0.6
125.02491	0.4
127.05152	0.4
131.03542	0.5
133.01494	1.0
133.06635	1.1
135.04543	7.8
135.08177	4.4
137.06058	0.5
137.09752	0.4
139.07701	1.9
141.09221	0.8
143.03569	0.5
144.05844	0.6
145.06606	1.1
147.04558	1.5
148.05339	2.2
149.06065	0.4
149.09756	1.2
150.06866	0.7
151.07671	28.9
151.11301	1.3
152.07993	1.7
155.03540	0.4
159.08174	1.2
160.08955	2.5
161.04587	1.3
161.09743	12.7
162.10071	0.6
163.04048	1.6
163.07672	30.2
164.08186	2.3
165.09227	15.3
165.10646	0.5
166.09592	0.8
168.35329	0.3
173.06143	1.0
173.09715	4.2
175.02534	0.6
175.11327	1.6
177.09229	9.3
178.09799	0.5
179.05673	0.4
179.10802	19.5
180.11159	1.3
185.09908	0.5
187.07681	2.2
188.08440	9.6
193.12416	1.0
196.06145	0.4
201.09290	0.5
203.10791	80.8
204.11124	5.9
217.08655	0.4
219.10382	0.5
221.11833	100.0
222.12178	7.5
222.14191	0.7
239.12833	0.9
287.10510	0.8
331.09286	0.8
365.16452	0.6
365.21698	0.9
425.18710	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	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03450	27.6
58.03791	0.6
59.01381	58.2
61.98831	7.6
64.13042	0.3
69.03452	1.1
71.01389	9.9
71.35369	0.3
71.73783	0.4
72.99329	0.7
73.02956	8.2
74.03273	0.3
79.05521	0.4
81.03484	0.4
82.03013	0.4
83.01395	2.9
83.05051	1.3
85.02957	3.9
87.00908	1.2
89.02460	1.5
93.03455	0.4
95.01406	0.5
95.05038	3.0
97.02982	1.2
97.06607	0.6
99.00910	0.9
101.02457	8.5
101.03086	0.6
102.02841	0.3
107.05077	0.9
108.02169	0.6
109.02981	1.1
109.06639	0.9
111.04571	0.5
112.93770	0.5
113.02465	3.6
114.05604	0.5
115.00405	0.9
116.07281	0.4
119.03593	0.5
119.05077	1.7
119.08668	1.4
120.05814	1.7
121.06618	2.2
122.03779	1.0
123.04556	3.1
123.08185	10.6
124.05325	0.6
124.08518	0.6
125.02491	0.4
127.05152	0.4
131.03542	0.5
133.01494	1.0
133.06635	1.1
135.04543	7.8
135.08177	4.4
137.06058	0.5
137.09752	0.4
139.07701	1.9
141.09221	0.8
143.03569	0.5
144.05844	0.6
145.06606	1.1
147.04558	1.5
148.05339	2.2
149.06065	0.4
149.09756	1.2
150.06866	0.7
151.07671	28.9
151.11301	1.3
152.07993	1.7
155.03540	0.4
159.08174	1.2
160.08955	2.5
161.04587	1.3
161.09743	12.7
162.10071	0.6
163.04048	1.6
163.07672	30.2
164.08186	2.3
165.09227	15.3
165.10646	0.5
166.09592	0.8
168.35329	0.3
173.06143	1.0
173.09715	4.2
175.02534	0.6
175.11327	1.6
177.09229	9.3
178.09799	0.5
179.05673	0.4
179.10802	19.5
180.11159	1.3
185.09908	0.5
187.07681	2.2
188.08440	9.6
193.12416	1.0
196.06145	0.4
201.09290	0.5
203.10791	80.8
204.11124	5.9
217.08655	0.4
219.10382	0.5
221.11833	100.0
222.12178	7.5
222.14191	0.7
239.12833	0.9
287.10510	0.8
331.09286	0.8
365.16452	0.6
365.21698	0.9
425.18710	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54461	0.6
55.01897	0.8
57.03460	4.6
59.01380	100.0
60.01708	1.4
60.33575	0.6
60.99303	0.7
61.98835	0.8
64.13184	0.6
71.01389	9.2
71.05012	1.6
71.49493	0.8
72.99312	1.5
73.02936	0.7
79.41307	0.7
83.01398	6.0
83.05030	1.7
85.02969	2.6
87.00885	25.9
99.00867	1.2
105.26794	0.7
107.05045	0.9
111.00922	3.6
113.02465	6.0
115.00387	44.8
116.00774	1.0
122.73214	0.6
129.01813	0.8
139.00400	12.0
150.19382	0.6
154.99907	1.5
157.01443	28.4
159.36458	0.7
161.09747	2.3
161.13382	3.8
163.11298	2.3
175.02495	98.2
176.02832	2.6
187.11325	2.7
189.09224	0.9
205.12299	1.6
207.10294	2.3
223.13390	35.6
224.13742	2.4
249.11230	1.2
267.12363	34.7
268.12662	3.2
365.12170	0.9
375.08591	0.8
407.13373	1.1
425.14545	58.2
426.14844	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.4
59.01381	57.9
60.01723	0.7
70.88436	1.3
71.01385	10.9
71.05022	0.8
72.78983	0.5
72.99306	1.4
73.02937	1.3
83.01395	4.3
83.05017	0.8
85.02970	2.7
87.00882	23.8
101.02421	0.4
102.40092	0.4
107.05052	0.6
111.00896	4.7
112.98833	0.7
113.02478	4.2
115.00391	49.2
116.00753	1.1
127.00384	1.0
133.55423	0.5
135.04454	0.4
139.00385	9.3
148.36447	0.5
154.99890	0.9
157.01440	20.6
158.01775	0.6
159.21643	0.4
161.09738	1.7
161.13377	1.4
163.11237	1.2
167.95601	0.5
175.02496	100.0
176.02798	3.7
187.11317	1.9
189.09167	0.7
205.12325	0.9
207.10298	0.8
223.13396	18.0
224.13744	1.4
229.12396	0.5
267.12335	8.1
268.12741	1.0
348.79111	0.5
365.12494	0.8
407.13467	0.5
425.14529	51.2
426.14978	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	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
58.00588	0.3
59.01379	30.2
60.01714	0.6
67.01895	0.4
69.44099	2.4
69.64635	0.2
71.01388	8.9
71.05045	0.6
72.01736	0.4
72.99304	0.8
73.02941	0.6
80.76252	0.2
83.01403	1.3
83.05028	0.3
85.02967	2.8
87.00884	16.2
87.78585	0.3
88.01182	0.4
96.39664	0.3
98.19832	0.5
99.00919	0.4
101.02473	0.5
105.87396	0.3
106.44198	0.3
108.83636	0.2
111.00896	0.6
112.98833	0.6
113.02465	1.0
115.00389	33.0
116.00724	0.7
127.00356	0.5
129.02013	0.4
139.00414	1.3
154.99896	0.6
157.01456	4.4
161.09750	0.7
161.13391	0.7
163.11299	0.6
174.74525	0.3
175.02496	100.0
176.02818	4.0
187.11285	0.4
189.09309	0.5
207.10301	0.6
223.13403	10.2
224.13744	0.8
267.12387	3.4
268.12524	0.3
275.33646	0.3
299.83487	0.2
335.02362	0.3
353.09323	0.2
425.14539	20.4
426.14893	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	424.038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45062	0.3
53.91094	0.3
57.97556	0.5
59.01376	2.9
59.47736	0.3
63.96244	0.4
69.64320	1.9
69.64732	0.8
69.69926	0.3
71.01398	1.7
74.99103	30.0
75.99448	0.4
79.95743	9.1
80.96528	1.9
82.66194	0.3
85.02962	1.2
89.02462	0.9
93.03439	0.3
95.95242	53.6
96.96021	100.0
98.95619	0.6
101.02444	0.9
111.97137	0.5
115.00375	0.4
117.01921	0.4
119.03541	0.5
120.01247	0.4
121.03011	0.8
121.95612	0.4
131.03734	1.0
133.01424	0.8
135.04558	0.4
138.97112	0.8
148.04002	1.9
149.00621	0.6
166.03369	0.4
182.02826	2.9
195.03331	1.2
219.11768	0.4
225.69200	0.4
227.99713	4.6
243.16124	0.3
246.00943	0.4
259.01285	1.9
269.92923	0.4
274.99036	0.7
377.03918	0.4
406.02362	0.4
424.03754	36.1
425.04022	4.0
433.79642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14813	0.2
57.00767	0.2
59.01381	100.0
60.01716	1.3
61.98832	32.1
69.71817	1.1
69.72234	0.6
71.01383	0.8
78.95895	0.3
79.83990	0.2
98.19875	0.4
227.46407	0.2
292.28036	0.3
380.59454	0.2
409.63141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33484	0.4
59.01379	5.1
60.01737	0.5
61.98833	100.0
71.01380	1.3
71.42367	1.0
78.95918	3.9
85.02972	0.7
87.00875	1.1
96.96026	1.4
96.96982	7.2
99.06759	0.6
115.00411	1.0
136.00784	0.7
154.99947	1.7
156.00241	0.8
175.02560	1.4
223.98698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81425	0.8
55.01897	0.9
57.03448	4.3
59.01381	100.0
60.01707	1.4
70.40973	1.6
70.41369	1.9
71.01389	12.3
71.05029	1.7
72.99323	1.5
73.02952	1.2
78.70088	0.6
83.01396	7.0
83.05036	1.6
83.75389	0.7
85.02961	4.8
87.00886	30.9
93.84553	0.7
98.20483	0.8
111.00896	7.7
113.02464	10.3
115.00391	59.1
116.00723	1.7
118.67444	0.7
120.05779	1.0
127.00394	1.5
139.00403	16.4
154.99867	1.9
156.00299	0.9
157.00316	1.1
157.01451	21.5
157.02675	1.5
158.01703	0.7
160.51390	0.8
161.09773	2.3
161.13400	2.5
161.57750	0.7
163.11316	2.4
175.02504	88.7
176.02843	2.3
187.11317	4.1
189.09286	1.2
205.12347	2.2
207.10287	2.3
223.13402	41.0
224.13776	2.2
229.12274	0.9
249.11340	1.1
267.12347	21.0
268.12656	1.4
365.12299	1.3
376.48691	0.7
407.13559	1.4
425.14517	81.1
426.14929	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39380	0.2
65.68046	0.2
69.71146	0.8
69.71572	1.2
70.97971	0.2
78.95913	13.3
98.20513	0.4
104.97504	0.6
107.49902	0.3
110.98548	10.7
137.00092	0.4
140.09132	0.3
142.55310	0.3
153.93178	0.3
162.09721	0.3
162.89436	0.4
167.01164	10.2
183.29707	0.3
185.02206	2.3
186.02579	0.3
255.23294	100.0
256.23654	10.7
332.67935	0.3
416.18689	0.3
423.25195	23.6
424.25470	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64849	0.2
57.83556	0.3
57.83915	0.2
58.71239	0.2
70.47612	0.5
70.48030	0.7
75.05682	0.2
75.41129	0.3
78.95911	12.9
94.98970	0.3
104.97470	0.7
110.97814	0.5
110.98550	9.4
129.03653	0.3
137.00099	0.5
152.99591	0.5
167.01169	11.6
185.02179	2.4
255.23289	100.0
256.23633	9.6
307.75449	0.3
309.77982	0.3
423.25180	22.4
424.25470	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.2
59.01380	76.4
60.01714	5.4
61.01849	5.0
61.98833	49.4
70.88017	8.3
71.01399	38.0
73.02962	10.1
75.75474	3.8
82.02966	5.5
83.01399	5.1
85.02969	12.1
87.00906	4.3
88.98843	7.2
89.02487	7.8
90.14892	4.7
99.00899	7.3
99.86185	5.0
101.02454	17.5
113.02461	8.4
115.00412	8.0
119.05025	7.2
125.06112	8.3
128.03598	5.1
129.01958	6.3
130.08757	15.1
133.01370	5.6
135.04544	6.5
145.02971	23.2
146.08334	5.5
150.03236	16.8
161.04553	9.7
165.05563	16.7
183.84749	4.5
195.06732	22.6
205.14294	5.4
255.31732	4.2
303.14526	5.2
305.15115	10.5
313.56073	5.0
346.95264	4.2
404.35175	4.5
405.18384	11.1
405.24707	6.9
419.99237	4.7
423.17795	100.0
423.26120	7.5
424.18570	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	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15708	4.8
59.01380	75.1
61.98837	59.6
62.18095	5.7
66.07117	5.2
66.94561	6.1
69.68678	20.5
69.69088	18.1
71.01385	27.4
72.99326	4.9
73.02951	7.1
85.02957	13.1
87.00875	10.2
89.02460	14.3
96.00879	7.2
99.00905	8.1
101.02445	19.2
113.02505	11.5
119.05090	6.4
124.04019	7.6
125.06088	12.4
125.74825	5.0
128.03604	5.2
129.01926	8.9
130.08742	15.1
131.36572	5.7
133.01489	7.8
138.91530	5.5
145.02977	21.3
145.06320	5.5
149.02409	10.8
150.03244	20.0
161.04593	6.8
165.05576	27.0
166.02716	7.6
195.06572	16.6
230.26457	5.7
292.10419	6.2
305.15094	11.3
312.36420	5.9
352.09500	5.8
405.18362	13.3
423.17877	100.0
423.25604	10.7
424.18738	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	421.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60068	0.3
57.03441	0.4
58.04988	0.2
59.01378	100.0
60.01710	1.3
61.98838	2.9
69.76392	0.5
69.76801	1.7
71.01387	0.6
73.21564	0.2
82.16467	0.3
89.02436	0.6
91.04015	4.9
96.96021	0.5
98.20554	0.5
115.42688	0.3
139.64610	0.2
147.06267	0.3
178.90112	0.3
203.68251	0.3
287.22266	14.8
288.22607	1.5
361.29822	0.5
422.17310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1297
Annotation	Uncinoside B
Peak:m/z	Relative Intensity
55.01888	1.3
57.03448	0.6
59.01381	100.0
60.01711	1.3
60.02005	0.3
60.78796	0.3
61.98825	0.4
63.77211	0.3
66.03783	0.3
68.99834	0.4
69.03457	1.1
69.25904	0.3
69.69032	2.7
71.01386	56.1
72.01729	1.3
73.02952	3.8
81.03473	1.3
83.01395	6.2
85.02962	5.3
87.04520	1.7
89.02452	2.0
89.06087	2.5
89.48409	0.4
95.01385	1.9
97.02984	1.1
99.00899	0.9
101.02444	4.1
112.01692	0.9
113.02469	6.9
121.02973	19.8
122.03272	0.7
125.02463	2.6
131.07132	0.8
143.03503	0.8
145.02905	0.5
154.99922	0.9
161.04570	0.8
165.01938	1.2
171.51666	0.4
177.98399	0.3
199.18068	0.3
219.06679	0.8
233.10303	16.5
234.10660	1.3
237.07703	1.9
262.38651	0.4
275.11435	0.4
291.08728	1.7
305.36963	0.4
381.11923	8.1
382.12216	0.9
407.22156	0.4
423.12964	22.1
424.13284	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	421.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01381	8.2
61.98834	100.0
63.86729	0.3
71.01392	4.8
71.02514	0.5
71.72632	0.4
72.00931	0.4
72.99342	0.4
73.02969	1.5
73.04086	1.3
74.02492	1.5
83.01421	0.5
85.02955	1.5
87.00901	0.6
87.05659	0.3
88.04066	0.7
89.02452	1.5
96.00933	0.6
96.24834	0.2
98.02528	0.3
101.02455	1.6
103.05173	0.8
113.02502	0.8
113.03618	0.3
114.01978	0.4
115.00408	0.8
115.05128	0.3
116.05091	0.4
119.03498	0.4
119.05053	0.5
120.01218	0.4
120.99675	0.7
126.99607	0.7
128.03587	0.4
129.01965	0.4
129.10371	1.2
130.06268	0.3
130.08766	2.7
133.01443	1.3
135.04529	0.4
136.07727	0.5
136.28795	0.3
137.09723	0.5
146.06169	0.4
147.04532	0.3
151.08763	0.3
163.11212	0.6
164.07214	0.9
168.06700	0.4
168.11395	0.3
169.64909	0.3
171.10262	0.3
174.05728	0.3
185.16469	0.3
186.12552	1.4
199.13335	0.4
203.10735	1.0
217.14421	1.6
225.13586	0.4
242.11967	0.4
242.18852	0.5
255.11288	0.3
268.07712	0.4
281.09116	0.5
283.09967	0.5
285.08679	0.4
297.28180	0.3
301.11880	0.5
306.10834	0.5
323.16348	0.5
324.86734	0.3
328.18750	0.7
340.18869	0.3
345.10956	0.7
358.19797	2.2
361.18710	1.5
365.16101	0.4
379.19669	2.6
383.17078	2.7
384.17371	0.4
385.18011	0.4
389.09317	0.4
391.19849	1.3
403.19843	0.4
411.70746	0.3
420.71500	0.4
421.11624	1.1
421.20789	11.5
422.21317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03435	1.3
58.00596	1.8
58.50856	0.8
59.01381	85.2
59.94963	0.8
60.10647	0.8
61.98833	48.6
63.24795	0.8
66.70533	0.7
69.03439	0.9
69.86395	2.0
69.86800	4.5
71.01389	29.5
72.99299	1.8
73.02956	14.8
81.42190	0.8
83.01401	4.9
85.02948	5.6
87.00885	4.1
89.02456	11.2
93.03490	1.5
95.01424	1.5
96.96024	1.0
99.00869	2.1
101.02460	19.6
111.00938	0.9
113.02470	5.9
115.00357	3.7
119.03494	3.0
119.05061	1.5
119.20319	1.0
120.99671	3.9
122.85456	0.8
125.02524	0.9
133.01462	1.3
135.04497	1.2
142.99976	0.8
145.01208	0.8
154.99852	3.3
155.10805	14.5
159.08185	1.0
161.04622	1.2
173.11856	11.1
175.02496	2.8
206.88817	0.9
210.72069	1.0
317.16083	5.6
333.10855	0.9
335.17111	33.8
336.17343	3.8
359.12613	1.3
361.22388	3.1
363.11798	0.9
377.18188	100.0
378.18579	11.3
379.23392	2.0
421.10925	1.2
421.20621	1.2
421.28091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38160	0.5
51.89310	0.4
52.66835	0.4
57.03443	3.6
58.02980	2.1
59.01381	21.8
61.98836	2.6
66.25249	0.4
70.02983	9.3
71.01382	4.5
71.05022	12.2
71.72556	1.0
72.00910	0.7
73.02962	2.3
73.04057	0.7
73.92472	0.5
74.02463	0.6
74.52313	0.5
75.00884	0.6
83.01408	1.3
85.02969	2.0
87.00888	0.8
87.05652	6.0
89.02460	1.2
93.03407	0.5
97.06607	0.6
99.04541	5.3
101.02467	4.5
113.02470	1.3
113.03598	0.7
115.05156	1.4
116.07201	2.6
119.03522	0.8
119.05073	0.8
123.08192	0.6
124.04050	0.6
125.02453	0.7
125.06116	0.7
128.03554	0.7
129.01938	0.6
129.05640	1.1
129.06679	0.6
130.03346	8.1
130.08733	0.8
133.01416	0.6
135.03081	1.0
135.04543	1.3
143.07079	0.5
146.08252	79.4
147.06021	3.9
147.08617	2.7
149.32343	0.5
161.04561	0.9
163.04066	0.5
165.09138	0.5
168.06635	0.5
179.10649	0.5
180.06651	1.3
181.01447	1.0
185.08195	2.0
186.05582	0.6
196.03764	1.1
205.31548	0.4
211.06180	2.2
217.11951	18.1
218.12221	0.6
225.11304	1.6
243.12463	0.8
259.11743	1.0
260.05789	0.4
260.12396	0.5
272.99094	0.4
277.12271	100.0
278.12598	8.1
283.10864	1.3
285.13101	0.5
299.10284	0.5
303.14499	6.0
319.13507	0.9
327.09692	0.6
377.18130	2.5
404.18188	0.9
421.16110	6.5
421.21124	2.9
422.18872	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	419.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69882	0.2
58.02975	2.8
59.01376	5.9
61.98832	100.0
71.01386	5.1
72.99300	0.4
73.02962	0.8
78.95894	0.4
83.01410	0.3
85.02983	0.4
87.00906	0.4
87.05643	1.7
89.02462	0.6
93.03522	0.3
101.02470	0.7
109.02925	0.3
112.04033	0.3
113.02464	0.6
115.00379	1.7
119.05067	2.8
120.99657	0.7
122.09799	0.3
127.05135	0.4
129.06744	1.2
130.08760	17.4
131.09065	0.7
133.01480	1.7
134.01746	0.3
135.02985	0.4
155.11963	0.6
157.13495	0.6
161.04645	0.4
163.04027	1.5
166.08737	4.1
168.63654	0.3
175.02522	0.4
182.15483	0.4
183.11429	0.7
197.09702	0.3
199.18202	2.5
200.22670	0.2
225.12425	0.6
237.09203	0.2
243.17122	0.8
270.21854	7.6
271.22128	0.5
288.95447	0.3
320.63666	0.3
327.08817	1.0
356.21912	35.0
357.22229	3.1
377.21512	0.2
419.22028	1.6
419.26782	0.5
420.22369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13018	0.3
54.11855	0.2
55.01863	0.2
57.64103	0.2
58.02686	0.5
58.02975	10.5
59.01380	2.0
61.98836	2.3
66.08775	0.2
66.37997	0.2
69.59614	1.6
69.60021	0.5
70.02991	0.5
71.01373	0.9
72.00912	4.1
73.04076	7.1
74.02473	0.6
78.06599	0.2
82.06626	1.1
83.01387	0.4
83.05045	0.3
83.09214	0.2
91.05543	3.4
95.02535	0.3
96.03316	0.3
97.04083	1.5
98.02489	3.2
99.26522	0.2
101.02450	0.2
108.08204	1.6
108.23051	0.2
112.07696	0.9
115.00351	0.5
115.05148	4.6
116.03578	0.6
116.04995	0.3
118.06622	0.7
119.05091	0.5
126.09257	1.1
129.10361	13.5
130.08777	0.4
130.10643	0.4
133.01440	0.4
134.95520	0.2
135.04533	0.3
139.08783	0.9
140.07193	0.4
141.10368	2.0
143.11911	1.2
146.17322	0.2
147.04541	16.6
148.04855	0.5
151.08815	1.4
151.09883	0.3
152.07187	8.8
152.10765	0.6
153.05423	0.7
153.07472	0.4
154.99919	0.4
155.08250	1.8
163.03989	0.3
163.97925	0.3
164.07182	37.1
165.07549	2.0
168.11438	15.6
168.12920	0.5
169.09871	1.3
169.11732	0.8
180.73863	0.2
186.12489	32.3
187.12889	1.5
189.00493	0.2
196.09825	1.9
210.12482	21.0
211.10852	3.1
211.12823	1.5
213.99072	0.3
228.13516	2.6
233.16576	10.3
234.16907	0.8
255.13387	0.4
259.14551	0.8
270.96497	0.3
277.15561	5.9
278.15860	0.5
290.18723	8.2
291.19131	0.9
332.19785	3.3
333.19925	0.3
376.18765	100.0
377.19077	13.2
402.20401	1.0
420.21390	21.8
421.21719	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82524	1.0
59.01093	1.4
59.01379	22.0
61.98829	21.6
62.01281	1.0
69.38361	8.2
69.38792	4.5
69.76037	1.1
71.01387	20.3
73.02949	9.5
75.00868	1.0
85.02963	2.1
89.02433	3.2
93.03444	1.2
98.19837	2.1
99.00903	2.9
100.33183	1.0
101.02512	5.5
108.04549	1.9
110.06100	1.3
110.55259	1.1
113.02422	2.6
115.00401	8.6
115.04004	1.3
119.03570	1.1
119.05044	13.1
120.01230	1.2
120.04562	1.8
120.05382	1.2
122.06159	2.6
130.08765	2.8
132.04552	3.2
133.01448	8.8
135.00772	1.1
135.04576	1.3
141.09222	1.1
145.69669	1.1
147.03276	6.3
147.13478	1.2
148.04076	5.5
150.05608	3.7
160.04053	2.4
161.04642	1.9
162.05664	1.2
163.03993	5.7
174.05582	1.8
175.02615	3.6
176.03482	4.9
183.06859	3.0
184.06235	1.1
187.05051	1.4
187.09776	1.4
198.03979	1.4
198.05638	22.8
199.06342	1.3
199.08745	2.0
206.04610	1.7
210.09306	5.8
212.03461	1.1
212.10820	3.5
213.03040	3.9
213.06454	1.0
213.10043	1.2
215.08263	1.2
215.11879	4.0
225.06664	4.1
225.10329	2.2
226.05193	9.8
226.07195	1.6
227.06134	9.3
227.08034	1.9
227.11908	1.1
228.05388	43.0
228.10243	4.2
229.05708	3.5
236.05728	3.2
237.06636	1.7
238.07504	7.0
239.08168	1.7
240.06833	1.6
240.08992	5.2
241.07510	2.8
241.09875	2.2
243.05367	1.9
243.07738	31.6
243.11353	1.4
244.07878	1.7
253.09790	12.5
255.08910	4.8
255.11388	10.1
256.09775	17.6
257.09622	2.7
258.22833	1.1
265.06125	3.8
266.06937	29.5
267.07458	3.8
269.05621	2.7
269.09283	1.9
271.10831	10.4
281.09326	53.2
282.09531	4.0
283.07034	1.6
284.08105	1.7
298.05966	1.3
299.10382	100.0
300.10742	10.2
301.12793	1.5
307.07166	1.4
313.11865	2.2
314.12091	1.1
319.17783	1.7
325.08328	2.9
327.08569	6.7
331.12659	1.2
333.44220	1.4
343.09332	18.8
344.09631	2.1
357.10831	1.7
359.16882	1.3
366.52191	1.2
369.07544	1.9
375.11758	3.9
377.18008	1.9
387.08350	21.7
388.08624	2.2
401.09772	2.8
419.10889	50.4
419.19128	9.3
420.11243	6.2
420.19470	1.5
443.09509	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	419.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97575	0.3
59.01385	1.8
60.97534	1.2
61.98834	100.0
62.98554	0.3
64.73987	0.3
71.01389	1.5
71.73325	0.5
71.73701	0.3
74.99127	0.8
87.98654	1.0
94.18427	0.3
95.84235	0.3
113.96583	0.3
114.97374	0.7
115.00405	1.7
116.00738	0.4
116.05167	0.3
119.05077	0.7
133.01465	1.4
134.01816	0.5
135.01917	0.4
163.04056	0.4
175.02567	0.4
178.03342	5.8
179.01733	0.6
179.03644	0.4
180.04893	3.4
197.09865	0.5
206.02863	0.3
207.58591	0.2
264.03442	0.5
280.06528	0.6
283.09891	0.3
295.81485	0.3
303.11578	0.5
324.05722	0.7
356.08020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24182	0.5
57.03438	1.1
59.01382	38.2
60.01709	0.7
61.98832	100.0
71.01390	21.4
71.05037	1.0
72.01729	0.6
72.99303	0.9
73.02961	4.3
74.02483	0.7
75.00912	0.6
83.01410	1.8
85.02964	5.5
86.06937	0.5
87.00887	2.0
87.04539	0.6
89.02454	3.0
93.03484	0.6
95.01405	0.8
99.00890	1.0
101.02467	6.2
101.06065	1.4
104.05085	1.3
106.06641	64.1
107.06966	2.8
108.04604	0.6
108.08194	0.7
113.02477	4.6
115.00378	7.6
116.00753	0.6
118.06648	1.6
119.03570	1.2
119.05039	9.0
120.01270	0.7
120.05389	0.6
120.99680	1.6
122.06149	1.3
123.00898	0.7
125.03608	0.6
128.03577	1.0
130.08820	2.0
132.04613	0.9
133.01462	6.6
134.06120	0.7
135.04561	1.3
145.19302	0.7
146.06081	0.7
147.03333	0.9
148.04105	1.6
150.05624	60.5
151.05974	2.2
160.04121	0.8
161.04668	1.6
163.04066	3.7
164.07169	9.0
174.05624	0.7
176.03549	0.9
192.06705	5.3
194.04614	12.6
195.04918	0.8
198.05685	2.4
212.10777	0.9
213.10435	0.7
215.12988	0.7
225.06714	1.0
226.05133	1.3
226.07440	1.0
227.05884	1.7
227.08179	1.1
228.05458	2.3
236.05684	1.2
237.06888	0.9
237.09203	0.7
238.07588	2.6
239.08325	0.8
241.07480	0.9
243.07687	3.1
251.08501	0.6
253.09859	2.5
255.11366	5.1
256.09827	2.1
257.09454	2.0
260.12860	0.7
263.08316	0.7
265.06229	1.6
266.06946	9.5
267.07382	0.8
271.10791	0.8
275.10165	0.6
279.07806	0.9
281.09317	30.5
282.09634	2.7
296.07834	3.7
299.10367	9.6
299.13443	0.7
300.10736	1.0
301.08362	1.2
325.08435	0.8
327.08884	2.4
331.13074	1.7
343.09491	2.5
356.09860	43.2
356.25592	2.5
357.10172	6.3
359.17105	3.2
375.12134	2.5
375.16714	3.5
376.12735	0.7
377.17990	3.2
387.08167	6.3
388.08597	0.7
393.73105	0.6
401.10016	0.6
419.10794	8.1
419.18979	14.2
419.27484	0.9
420.11835	2.2
420.19977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.301
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
59.01374	1.3
61.98832	1.3
71.72459	0.3
74.62151	0.2
96.96127	0.3
106.56397	0.2
122.66725	0.3
123.34056	0.3
126.57199	0.2
159.10352	0.3
180.78432	0.2
234.82004	0.3
273.55200	0.3
373.31165	0.3
399.28970	0.5
417.30099	100.0
418.30438	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	418.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01382	15.2
61.98836	10.9
66.03499	1.1
69.79909	2.9
70.02963	0.7
71.01389	7.2
73.02959	1.8
74.02465	0.7
75.81026	0.4
82.02978	0.7
82.06641	0.6
84.04552	4.6
85.02959	1.1
86.06166	0.7
89.02454	1.0
98.02467	0.9
99.00877	0.4
99.05658	0.9
101.02470	1.0
102.05624	26.4
103.05153	0.4
109.04118	0.5
112.07712	0.7
113.02452	0.7
115.00377	3.6
119.05045	3.4
124.07687	0.6
127.05157	2.1
128.03561	100.0
129.03923	2.9
129.10373	3.5
130.05135	0.6
130.08762	7.2
133.01459	3.4
134.09781	0.7
139.08904	0.4
140.07146	0.9
143.04813	0.4
146.04620	26.1
147.03297	1.2
147.04869	0.7
148.04196	1.4
150.05655	0.5
154.12387	0.9
155.08284	2.1
155.11902	0.8
158.02818	2.2
163.04015	2.6
169.13519	2.4
171.15039	5.1
175.05492	1.0
176.03902	5.8
177.10330	0.7
178.08768	4.2
179.05870	0.6
179.12018	0.6
180.10455	0.5
194.12801	0.5
195.11389	1.8
197.12997	1.9
198.05663	0.6
199.08717	0.6
203.10722	0.9
203.41272	0.4
212.13969	0.9
215.12000	1.0
215.14015	4.2
223.10963	0.6
226.07259	0.4
226.09158	4.7
227.12300	1.2
228.05521	0.9
238.07436	1.1
238.15631	0.6
239.10858	0.9
240.09009	0.8
241.09721	0.7
241.11954	0.8
243.07736	0.6
243.11754	2.8
245.13477	0.5
253.09781	0.9
255.11334	1.3
256.09750	0.8
257.09335	0.6
259.12997	0.9
265.06268	0.6
266.06998	4.4
271.11142	2.8
281.09332	13.0
289.12277	34.5
290.12439	2.6
297.08792	0.5
299.10330	4.1
313.12009	0.6
327.08649	0.7
343.09433	1.4
346.17871	0.7
370.55963	0.4
374.17627	2.8
375.11902	1.1
383.17169	1.7
387.08234	2.3
401.09872	0.7
418.16544	61.7
419.10941	15.5
419.17126	7.6
419.23019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
57.03442	0.5
59.01381	9.3
61.98833	100.0
62.98539	0.3
69.03477	0.2
71.01390	3.8
71.05050	0.2
71.73199	0.2
72.99316	0.5
73.02949	2.0
75.00892	0.5
78.95934	0.4
83.01424	0.8
85.02974	0.9
87.00918	0.5
89.02447	1.0
95.05058	0.5
98.03783	0.4
99.00951	0.3
101.02458	1.7
107.05072	0.6
113.01765	0.2
113.02470	0.8
115.00412	1.1
119.03454	0.2
119.05044	0.2
121.02980	0.7
127.05151	0.3
133.01479	0.6
151.11302	5.6
152.11719	0.3
154.99904	0.3
161.04559	0.3
169.12352	1.2
171.08182	0.6
175.02522	0.5
195.10271	7.9
196.10608	0.5
197.09685	0.3
215.10818	0.3
217.07811	0.2
221.13226	0.3
246.55420	0.2
246.63605	0.2
247.41464	0.2
257.11676	1.0
301.10913	0.9
322.16028	0.2
357.26416	0.3
389.29083	0.4
417.20407	1.6
417.25745	0.4
418.19788	0.3
433.10306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01377	100.0
60.01704	1.0
61.98826	2.1
71.01393	1.0
71.73665	0.4
71.74146	0.4
75.00874	0.6
85.02962	0.3
88.98832	0.9
96.95995	0.6
101.02476	0.5
113.02455	0.5
115.00365	0.4
128.44801	0.3
132.74962	0.4
133.01425	0.4
161.04515	0.4
219.74770	0.3
236.08051	0.4
261.73822	0.4
320.10419	0.6
336.12665	0.4
391.57333	0.4
417.28177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01877	2.3
57.03448	2.2
58.00594	0.7
58.35363	0.4
59.01381	84.4
60.01707	1.2
60.78782	0.3
61.98835	9.1
69.53659	3.3
71.00995	0.8
71.01388	15.7
71.05042	0.4
72.99319	1.1
73.02960	5.0
74.02484	0.7
75.00890	1.3
80.86094	0.3
83.01388	3.3
83.05030	0.5
85.02967	4.9
85.03455	0.5
87.00906	1.9
89.02460	9.1
95.01414	0.6
99.00918	1.0
99.04549	0.4
101.01787	0.6
101.02456	13.3
102.98621	0.7
111.00868	0.9
113.02460	5.6
115.00426	1.2
117.01984	0.4
117.13933	0.4
119.03536	3.8
119.05045	1.7
126.09350	0.4
129.01988	1.1
130.08746	2.5
131.03676	0.4
133.01433	0.6
134.03751	0.5
135.04530	0.8
137.02466	1.4
139.11317	1.1
147.02975	0.4
149.86812	0.4
151.00429	1.2
151.07637	0.4
154.99899	7.7
161.04582	1.4
163.03999	0.7
166.02739	2.9
181.05095	5.3
181.12396	0.5
183.10248	0.9
193.05013	0.6
195.10281	0.7
195.59209	0.4
211.93704	0.4
223.10909	1.1
225.11378	0.5
227.03462	0.7
227.12961	0.6
243.12354	4.1
244.12526	0.5
255.03125	1.1
255.15990	0.4
284.03290	0.5
285.04007	0.4
287.15112	0.6
301.07324	0.6
305.55695	0.4
354.20258	5.0
355.20786	0.8
357.19321	2.0
387.10638	0.7
399.20288	3.9
400.20609	0.5
402.13168	0.8
417.21286	100.0
418.16147	0.7
418.21637	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	417.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03451	0.6
58.02999	0.5
59.01085	0.8
59.01382	13.3
59.67731	0.4
60.01703	0.6
61.98832	100.0
69.52225	3.4
69.52645	1.1
71.01384	4.3
73.02957	2.2
78.95903	0.5
82.02994	2.0
82.06623	0.5
83.01392	2.4
85.02957	1.5
87.00893	1.5
87.79538	0.4
89.02472	1.3
93.03463	0.7
94.02995	0.5
96.04544	0.4
96.96030	0.6
97.06625	0.5
99.00910	1.0
101.02457	1.6
108.48633	0.5
109.04096	1.4
110.02473	0.5
111.00904	1.1
112.04046	0.6
112.64854	0.4
112.98847	0.7
113.02475	1.2
115.00411	1.2
126.09265	1.2
127.05158	3.7
128.03569	1.2
129.01970	1.1
130.08759	31.4
131.09070	0.8
134.03751	1.8
136.04124	0.4
136.11375	1.0
139.11377	1.0
141.10408	0.5
147.02989	2.8
149.06111	0.8
154.99892	16.9
156.00195	0.8
164.04785	0.4
166.02780	0.5
168.09056	0.6
169.09938	0.4
171.08218	0.5
175.02513	0.8
179.11870	1.6
180.10306	4.7
181.10722	0.4
181.12373	0.8
183.10289	1.7
193.05144	0.7
195.11467	0.7
196.03012	0.4
197.12930	3.7
199.18196	2.0
208.03696	0.8
209.16603	1.7
212.05836	0.7
213.06836	0.7
213.13002	0.5
222.12582	0.6
223.06194	2.0
223.10878	13.0
224.09285	0.5
224.11259	0.7
225.09668	0.6
225.14832	1.1
227.08266	1.1
227.12868	1.8
243.12334	5.5
243.16985	0.5
255.07761	0.7
265.09756	0.9
267.07678	1.1
268.08261	0.6
269.13980	0.7
281.09271	1.0
287.10428	1.5
287.14890	0.6
295.58469	0.5
299.10376	0.7
301.10812	0.6
309.08774	2.4
310.21301	4.5
341.11417	2.6
342.11679	0.7
354.20349	58.2
355.20676	7.2
359.12189	0.6
373.14920	0.6
386.60739	0.4
417.12933	6.8
417.17142	0.8
417.21277	0.7
417.25238	1.5
418.13351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27194	0.8
55.01857	2.6
56.71935	0.8
57.03442	1.8
59.01381	100.0
60.01713	1.0
61.98816	1.3
70.47879	3.7
71.01388	21.8
72.99297	1.3
73.02541	1.5
73.02953	29.9
74.03245	1.0
81.70807	0.9
83.01402	7.6
83.05062	1.4
85.02964	5.8
85.51707	1.2
87.00885	13.1
89.02457	15.5
95.01423	1.2
97.06584	2.8
98.20688	0.9
99.00874	1.8
99.04478	1.1
101.02451	10.2
107.05011	2.8
110.13250	0.9
111.00934	4.8
113.02463	8.5
115.00390	32.5
119.03500	6.0
123.08168	8.1
125.06111	13.4
126.06438	1.1
139.00389	11.5
141.09261	5.6
142.09734	1.0
143.03448	1.5
154.99840	2.2
156.00186	1.3
157.01450	45.5
158.01744	1.2
161.04599	11.1
167.07187	7.9
169.46028	0.9
175.02505	49.6
176.02843	1.7
177.09221	2.2
179.05618	5.4
181.08670	1.9
185.08220	61.0
186.08565	3.2
197.11819	6.7
199.09776	5.6
217.03622	1.1
241.10652	2.2
259.11853	44.0
260.12161	3.0
301.12723	1.5
343.10181	2.4
357.15579	16.6
358.15930	1.2
367.25366	1.0
370.69977	1.0
399.13605	0.9
409.77341	0.9
417.13916	63.8
418.14273	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03448	7.5
58.00593	0.6
59.01379	100.0
60.01727	0.9
61.98835	5.2
71.01385	25.2
72.01730	0.9
72.99313	1.4
73.02953	15.1
73.04079	1.8
74.02484	1.7
75.00903	0.8
83.01392	3.6
83.05024	1.2
85.02957	7.3
87.00895	7.8
89.02452	20.3
95.01424	2.0
97.06628	2.4
99.00898	1.4
101.02454	16.0
104.03541	0.7
107.05067	0.9
111.00919	2.1
111.08176	0.7
113.02461	11.6
115.00387	14.7
115.01136	1.1
116.00790	0.7
119.03535	8.5
119.04967	0.7
123.04555	1.0
123.08216	3.4
125.06097	7.5
129.10379	0.9
131.03586	1.2
135.02969	0.7
135.08241	0.7
137.09763	0.8
137.35387	0.6
139.00418	4.0
141.09256	1.8
143.03548	2.4
149.04539	0.6
151.11319	1.9
154.99919	1.6
155.08311	0.7
157.00179	1.4
157.01437	20.3
158.01808	0.8
159.03046	0.9
161.04587	13.8
162.04797	0.6
167.07158	4.2
175.02489	19.3
175.03940	1.1
175.11310	1.5
176.02745	0.8
177.09192	3.3
179.05634	6.2
184.66537	0.6
185.08191	27.1
186.08598	1.2
193.12383	2.2
195.10278	1.2
197.11877	2.2
199.09723	3.0
229.40927	0.8
237.11404	3.6
241.10654	0.6
259.11838	19.4
260.12186	1.3
343.10391	0.8
357.15564	22.0
358.15878	2.9
387.22604	1.1
399.16809	1.1
417.14023	24.3
417.18103	11.5
417.22913	1.4
418.13687	2.9
418.18973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.4
71.01385	30.1
71.73766	1.0
72.99313	4.4
85.84650	0.4
87.00902	1.2
89.02457	3.9
93.03485	1.5
101.02483	0.5
115.00387	58.6
116.00722	1.6
122.44255	0.4
123.53966	0.4
133.01447	100.0
134.01767	2.5
149.06099	3.5
149.76842	0.5
182.07370	3.8
183.07982	0.6
195.08145	1.4
196.08887	0.5
196.74001	0.5
197.09726	31.2
198.10028	2.7
211.11296	3.7
212.11716	0.5
213.06789	0.5
213.12823	1.4
227.08463	0.7
227.10814	1.4
238.20547	0.5
245.11826	1.5
255.07605	0.5
257.11835	3.2
301.10803	62.5
302.11197	7.7
315.61087	0.5
376.98291	0.5
417.12918	3.6
421.00247	0.5
436.37900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84052	0.4
58.00538	0.4
59.01385	1.9
61.98831	1.5
61.99348	0.3
71.01385	10.6
71.70750	0.5
72.01723	0.5
72.99319	2.7
73.04067	0.5
73.81876	0.4
74.02473	0.9
75.00884	2.0
78.05782	0.4
78.24984	0.4
78.95908	0.9
85.02956	1.3
87.00877	0.7
87.05654	0.5
88.04060	1.0
89.02443	1.6
96.00935	0.7
96.95137	0.4
96.96024	3.0
96.96982	1.2
98.09495	0.4
105.11358	0.4
107.05028	0.4
109.02920	0.4
113.03590	0.7
115.00388	31.6
116.00713	1.0
120.01270	34.1
123.04533	0.5
123.55108	0.3
127.05139	1.2
128.03566	1.1
133.01451	100.0
134.01782	2.3
134.03787	0.7
135.04541	42.9
136.04913	2.3
137.02486	0.9
145.06212	0.8
154.06259	0.5
158.23528	0.4
164.07162	1.0
176.07191	0.6
179.03519	26.9
180.03856	1.7
202.94510	0.4
295.04575	4.2
341.10989	0.6
372.18884	1.2
416.06772	0.5
416.21857	2.1
417.19696	0.5
438.57520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79786	0.7
55.53862	0.7
58.00593	1.1
59.01379	100.0
60.01711	1.8
61.98848	1.5
66.98739	0.8
71.01385	44.1
71.05003	0.7
72.01724	1.0
72.99313	4.1
73.02956	10.1
75.00897	0.9
78.95934	1.8
83.01399	2.4
83.05009	1.0
85.02961	3.3
87.00886	1.6
89.02439	4.6
93.03478	4.4
95.05054	1.1
98.20624	3.0
101.02461	9.0
107.05202	0.9
107.98400	0.9
108.02188	1.5
109.02966	1.2
113.02457	3.5
115.00386	47.6
115.07636	1.1
116.00698	1.7
119.03491	1.9
133.01454	85.3
134.01828	1.9
134.03764	1.2
134.04752	2.4
139.11313	1.3
149.06120	11.5
150.77855	0.8
151.11345	4.7
154.99854	1.6
161.04597	1.5
161.06078	1.2
161.64798	0.7
165.12955	0.8
168.65015	0.9
182.07376	10.7
183.07976	1.1
195.08476	1.2
195.10268	12.4
196.08911	1.0
196.10626	0.9
197.09734	90.3
198.10049	9.2
211.11310	16.2
212.11861	1.6
213.09399	1.0
213.11168	1.6
213.12871	2.7
225.09232	1.2
227.10785	5.7
229.75133	1.2
243.12357	2.6
245.11818	8.5
257.11819	25.8
258.12149	2.7
301.10806	32.4
301.14233	1.6
302.11127	3.6
347.94702	0.8
417.20975	12.1
418.21735	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	415.322
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01369	0.4
61.98837	0.2
67.31702	0.1
70.28014	0.6
71.78505	0.1
85.02958	0.2
166.70259	0.2
204.34334	0.1
216.78680	0.1
256.35236	0.2
325.61774	0.2
387.03952	0.1
415.32199	100.0
416.32532	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32240	0.3
51.73555	0.4
53.49641	0.3
54.24790	0.4
55.15249	0.3
56.51332	0.3
59.01379	2.1
61.98835	1.7
69.99314	2.1
70.03037	0.3
71.01386	11.3
71.01759	0.7
72.99312	2.3
73.04075	0.5
74.02476	1.0
75.00877	3.2
77.54086	0.4
78.95916	1.2
81.00266	0.4
82.02978	0.4
85.02959	1.7
87.00864	0.4
87.05656	0.8
88.04052	1.5
89.02467	2.2
96.00918	0.5
96.96023	8.8
96.96979	0.6
97.30479	0.4
98.95615	0.7
101.02501	0.4
107.05020	0.5
110.02501	0.5
111.00893	0.6
115.00391	33.3
116.00735	0.8
120.01270	32.4
127.05173	0.9
128.03537	1.5
131.04594	0.4
133.01451	100.0
134.01796	3.1
134.03758	0.9
135.04543	46.8
136.04866	2.0
145.06218	0.5
158.09361	0.4
167.04646	0.7
179.03514	28.4
180.03807	2.1
187.10866	0.4
205.03502	0.4
214.15799	0.4
222.69881	0.3
255.99097	0.4
256.06628	0.6
257.92935	0.4
295.04648	4.1
296.05090	0.4
299.97919	1.1
300.05350	0.7
331.16556	0.4
335.46057	0.4
341.11017	0.8
372.18930	1.4
384.65417	0.4
386.20566	0.7
416.06714	0.9
416.21381	1.2
430.59525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08350	0.4
59.01379	100.0
60.01719	1.0
64.16243	0.4
71.16895	1.2
72.36838	0.5
120.95030	0.4
155.68340	0.4
169.57896	0.4
204.04254	0.5
209.51140	0.4
285.21191	0.4
415.32196	9.0
416.32477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	1.1
61.98839	0.4
69.38717	0.4
69.39124	2.7
74.68979	0.2
81.00417	0.2
82.80389	0.3
117.22408	0.2
151.52405	0.3
164.59364	0.2
169.16377	0.2
279.23364	0.9
328.41177	0.3
371.22354	0.2
415.32367	0.8
438.29312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03438	2.1
57.71090	0.5
58.00583	0.8
58.02961	2.1
59.01380	32.4
60.01715	0.8
61.98838	5.3
65.39550	0.6
70.02601	1.0
70.02981	17.0
70.93227	0.9
70.93562	0.7
71.01386	19.6
71.04996	0.7
72.00933	0.7
72.01684	0.6
72.99302	1.5
73.02951	8.1
74.00694	1.1
74.02483	0.6
75.00861	0.5
82.64297	0.6
83.01399	3.4
85.02956	6.4
86.00106	0.6
87.00886	2.0
89.02454	5.5
93.70493	0.5
95.01424	1.0
95.02518	2.1
96.00926	44.1
96.96019	2.2
97.02911	0.6
97.06551	0.9
99.00900	1.4
101.01793	0.6
101.02460	11.6
111.02039	0.9
111.08197	0.5
112.15356	0.5
113.02469	4.9
113.03582	9.7
113.09726	1.9
114.01983	26.7
115.00367	1.5
119.03513	1.6
125.02483	0.9
125.09733	1.9
127.11322	0.9
128.03593	1.1
130.08736	1.4
131.03647	1.0
131.04639	15.2
132.05017	0.5
133.01497	2.7
135.04558	3.1
136.07645	0.8
139.07680	0.6
143.03491	0.6
147.11734	1.0
148.45679	0.5
154.99899	6.4
157.08699	2.2
159.03072	0.6
161.04544	1.8
169.06184	2.4
175.02428	1.1
179.03476	1.7
185.03877	0.7
193.12329	1.9
195.08127	0.8
198.38744	0.6
203.04948	2.9
211.13364	1.2
211.20630	0.6
221.19107	15.7
222.19345	1.4
225.88065	0.5
236.20123	1.6
237.18501	1.3
238.26445	0.6
239.20212	3.9
254.21124	0.9
257.13937	1.3
265.18057	8.8
282.20731	3.4
283.19101	14.1
284.19513	1.1
300.21802	61.3
301.22360	4.7
311.35281	0.6
347.25104	0.6
355.17627	4.0
371.25342	0.7
373.18692	9.4
397.23438	16.9
398.23654	2.2
415.19601	35.9
415.24478	100.0
416.19958	5.5
416.24805	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	415.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.95975	0.5
57.03449	2.3
58.00584	1.1
58.02977	1.9
59.01382	32.8
61.98838	3.7
69.48076	6.2
70.02982	14.2
71.01386	17.6
72.01729	0.5
72.99310	1.7
73.02950	7.4
75.00903	0.6
75.33806	0.5
83.01401	3.4
85.02953	6.8
87.00879	1.2
88.87722	0.5
89.02445	5.1
95.01411	1.1
95.02522	1.1
96.00927	43.6
96.96027	1.9
97.01286	0.8
97.06618	1.4
99.00874	1.4
101.02467	11.5
103.54243	0.6
111.02020	0.6
111.08163	0.7
113.02475	5.9
113.03580	10.0
113.09779	2.3
114.01987	24.0
115.00420	1.8
118.70502	0.6
119.03508	1.9
125.09757	1.7
127.11284	0.8
128.03548	1.0
130.08769	0.9
131.04645	15.0
131.05598	1.1
133.01440	1.6
135.04536	2.6
139.07712	0.7
145.09741	0.6
147.11890	0.6
152.10744	0.6
154.99881	4.2
157.08716	2.2
161.04610	1.4
169.06187	1.9
173.84685	0.6
179.03545	1.2
193.12344	1.9
195.08043	0.7
203.04878	2.9
221.19128	16.5
222.19377	1.1
236.20189	1.6
237.18674	0.8
239.20187	3.2
243.16031	0.6
254.21289	0.9
257.13931	1.0
263.55823	0.6
265.18088	8.8
266.18552	0.8
276.15979	0.6
282.20746	4.3
283.19107	12.4
284.19525	1.3
299.09290	0.7
300.21826	57.3
301.22226	5.9
329.19791	0.6
346.12103	0.6
355.17563	4.1
371.25555	1.2
373.18710	11.5
374.18927	1.3
397.23471	16.3
398.23666	2.5
415.19629	40.9
415.24533	100.0
416.20050	5.8
416.24893	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	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56923	0.6
55.01880	2.8
57.03444	2.8
58.00592	3.3
59.01380	100.0
60.48394	0.7
61.98832	4.4
69.03491	1.3
69.37691	8.7
71.01387	60.9
71.05016	0.8
72.01730	1.0
72.99324	4.5
73.02946	4.7
75.00917	1.2
77.21279	0.8
79.95743	0.8
83.01396	4.3
85.02959	14.2
85.03439	1.0
87.00886	14.2
89.02454	55.6
90.02825	0.9
93.03480	0.8
95.01402	3.8
95.05048	2.0
96.96021	24.5
97.06658	0.9
99.00920	0.8
101.02460	27.4
108.04593	2.1
111.00903	1.3
111.04536	0.8
113.02467	22.5
113.03235	1.2
114.02843	0.8
115.00430	2.8
115.04031	4.1
119.03522	22.3
119.05042	1.2
121.02969	0.7
121.06671	0.7
127.00365	1.2
129.01981	1.3
130.08821	0.9
130.52692	0.9
131.03584	2.8
133.01503	3.1
135.03087	3.0
135.86128	0.8
137.09790	1.0
139.00415	1.4
143.03569	3.3
147.11804	7.6
149.04631	2.2
154.99876	12.7
155.01038	0.9
161.04684	2.1
161.09746	0.8
163.04047	0.8
165.04149	1.2
165.12950	1.2
173.13371	47.8
174.13742	4.4
175.02556	1.3
175.11411	0.8
176.07220	0.9
179.05574	4.9
188.07291	1.2
191.14549	2.4
197.11824	1.0
223.13411	1.1
229.09981	2.5
235.13394	42.6
236.13686	4.4
241.10988	2.7
248.09390	1.2
253.10965	1.9
255.10521	1.2
279.16196	2.6
286.18332	0.7
297.13794	1.6
297.17285	2.0
324.68497	0.8
327.13492	0.8
353.11722	3.3
371.12405	5.4
373.18921	1.3
415.20187	39.0
416.11935	1.0
416.20554	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	415.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	18.3
57.03445	1.2
58.02977	4.6
59.01083	1.1
59.01380	17.0
60.99325	0.5
61.98833	14.1
66.03493	1.1
66.07031	0.4
69.03441	0.6
69.47163	4.4
71.01388	9.8
71.01761	0.7
71.05021	0.8
72.00907	2.4
72.99319	1.9
73.02955	7.9
73.04102	0.6
74.02480	28.5
75.00874	0.6
82.03024	0.7
83.01385	6.2
83.05027	1.3
84.00935	0.5
84.04519	0.5
85.02971	3.9
86.02495	4.0
87.00874	3.3
87.05655	2.7
88.04050	4.0
89.02454	3.0
95.40788	0.5
96.00952	0.8
96.96018	0.6
97.04075	0.6
97.06618	1.3
98.02503	2.8
99.00901	1.0
99.04523	0.6
101.02451	4.0
101.07233	1.1
102.98620	0.9
104.03551	22.4
107.05048	1.2
108.08252	0.5
109.04102	0.5
109.06618	0.6
111.00872	2.3
112.02814	1.2
112.98857	1.1
113.02467	2.2
113.03664	0.7
114.05639	0.5
114.09313	0.8
115.00384	2.9
115.04070	0.5
115.08790	29.8
116.07185	5.6
116.09131	1.4
117.02000	2.2
119.03547	1.3
119.04957	0.5
120.01276	1.2
123.04561	0.6
123.08210	0.7
125.02547	0.5
125.06116	1.7
125.07244	1.4
126.05628	2.2
126.09269	0.7
127.00409	1.7
127.05137	1.1
128.03571	3.7
129.01955	1.5
129.06715	1.0
129.10356	10.1
130.08713	1.0
132.04584	2.0
133.01453	2.5
133.02995	1.6
135.04573	0.9
138.03278	0.9
139.00385	0.5
139.04114	0.6
139.07684	1.5
139.08771	7.2
140.07202	1.9
141.06673	0.4
141.10361	18.8
142.10693	0.9
143.03557	0.5
143.11932	1.7
145.01457	0.5
145.06163	0.8
146.03767	1.2
150.29843	0.5
151.07629	1.2
151.08821	1.2
152.07193	3.1
153.05701	0.5
154.99886	80.0
155.08235	2.1
156.00212	3.3
157.09843	29.8
158.10229	0.9
159.11417	1.4
161.04613	0.7
161.09727	0.6
163.02686	0.5
163.03986	0.8
164.04858	1.3
165.00192	1.1
165.02002	0.7
165.10341	1.1
166.03336	26.5
166.08762	1.0
167.07043	0.7
167.08267	1.2
167.11906	1.0
168.11423	2.5
169.08536	0.9
169.09859	7.7
173.00943	1.1
173.09322	4.6
175.02446	2.5
175.07661	0.9
176.07166	2.0
179.03401	0.4
179.07132	2.7
180.00610	3.8
181.01332	0.7
182.02335	0.7
183.11409	1.7
185.08156	5.4
186.12509	5.3
187.10907	1.7
187.12715	0.6
191.10797	6.3
194.02209	0.5
195.02985	5.6
196.03815	0.9
197.04573	0.9
197.11702	0.7
199.09738	0.5
200.14047	15.3
201.14435	0.6
203.10370	0.9
209.09331	0.8
210.12471	2.6
211.06110	2.3
212.14034	9.9
213.14397	0.6
223.04633	0.6
224.17769	1.1
228.13554	3.3
229.11816	0.8
230.15083	1.8
235.09729	1.1
237.09244	1.6
241.06535	0.8
242.18773	1.9
244.13031	1.4
255.10374	1.0
257.10367	0.5
259.11804	7.1
260.12286	0.5
266.18787	2.0
281.20013	1.0
283.04910	0.6
285.19171	0.6
299.09167	0.6
299.20840	8.0
300.21402	0.7
311.20941	5.8
312.21378	0.6
328.18768	6.5
341.11707	0.7
341.21887	1.6
343.19675	0.6
353.21933	7.9
354.22183	0.8
355.10416	1.1
371.19296	1.8
371.23087	1.2
373.11359	1.1
380.18213	1.0
385.20914	32.4
386.21262	2.9
397.20746	3.7
415.12137	9.9
415.16672	6.4
415.21915	100.0
416.12927	1.0
416.22540	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	415.1976
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01884	2.3
55.34242	0.2
57.03447	2.3
58.00594	1.3
59.01382	56.3
59.16549	0.2
60.01724	0.5
61.98833	1.2
65.07337	0.2
67.01906	0.2
68.99841	0.4
69.03462	0.9
70.23176	1.0
70.60014	0.2
71.01388	25.2
71.05022	0.3
72.01730	0.7
72.99323	1.8
73.02951	11.9
75.00901	0.6
81.03464	0.3
83.01395	6.1
83.01873	0.4
85.02961	12.3
86.00105	1.1
86.03316	0.2
87.00893	2.0
88.84387	0.2
89.02457	6.4
92.06869	0.2
95.01395	1.8
95.39168	0.2
96.96024	0.6
97.02981	0.9
97.06616	0.5
99.00889	2.9
101.02457	19.3
102.02812	0.5
111.00923	0.6
113.02466	10.0
114.02030	0.2
115.00395	1.0
119.03519	2.2
125.02483	0.6
129.02028	0.3
131.03516	0.3
133.01488	0.4
135.04535	8.3
136.04875	0.5
139.07677	0.5
143.03560	0.9
145.09865	0.6
147.11768	0.2
154.99884	1.4
157.08678	1.2
159.03015	0.4
161.04530	1.4
167.14455	0.2
169.06262	0.3
179.03513	4.4
180.03879	0.3
181.12244	0.4
193.12299	1.9
195.08011	0.2
211.11554	0.4
211.13396	1.9
223.13432	0.3
225.94521	0.2
255.10193	0.9
257.13907	0.7
298.31934	0.2
299.09277	2.0
300.21545	0.3
329.19666	1.3
346.27853	0.2
355.17621	8.1
356.17828	0.9
373.18692	25.4
374.19043	3.2
415.19733	100.0
416.20068	13.8
416.25739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12215	0.4
55.01875	0.7
59.01380	100.0
60.01711	1.1
61.98828	1.6
71.01381	4.3
72.99329	0.5
73.02975	1.3
83.01369	0.8
85.02971	1.9
86.70109	0.5
87.00885	0.7
87.04523	0.5
89.02470	1.6
95.01386	0.4
96.96073	0.5
101.02473	1.5
101.36276	0.4
105.27277	0.5
112.98872	0.7
113.02475	1.3
115.00411	0.9
129.02046	0.4
130.08755	0.9
142.99884	0.9
147.26001	0.4
154.99892	3.0
161.04672	0.9
173.01073	0.5
201.57242	0.4
206.37511	0.4
223.13454	0.4
227.07016	0.4
230.33488	0.5
257.17618	0.9
297.11987	0.5
305.29498	0.4
315.87436	0.4
415.18988	0.5
415.27963	0.8
416.22583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.4
57.03432	1.8
58.00592	1.1
59.01379	40.1
61.98833	15.9
69.43830	7.8
71.01388	20.7
71.05025	0.9
72.99306	2.1
73.02951	5.4
74.02473	1.0
82.03002	1.7
83.01395	5.1
83.05029	2.4
85.02959	7.0
87.00919	1.8
89.02449	10.8
95.01397	2.5
97.06585	1.2
98.02472	1.6
99.00882	1.4
100.04052	1.1
101.02454	10.6
107.05031	1.3
109.06609	1.5
111.00914	1.3
111.04521	0.9
113.02462	6.7
115.00373	1.2
119.03532	3.2
122.03797	0.8
123.04552	0.9
124.05321	2.5
125.06114	1.2
127.00427	0.7
129.10374	0.7
130.08797	1.3
133.01424	1.7
133.06606	2.2
137.06097	2.7
137.09705	1.0
138.06897	7.3
139.07689	14.0
147.08205	0.7
149.09715	1.5
151.07666	5.3
154.99892	32.3
156.00182	1.0
157.01414	0.9
161.04610	1.0
173.09637	1.6
175.02496	2.0
175.07674	6.1
175.11328	0.8
185.08240	1.4
191.10802	31.3
192.11081	2.2
193.08603	0.7
209.11789	1.4
235.09790	1.1
259.11716	4.1
294.17148	0.8
296.00595	0.8
299.09180	0.7
354.18973	0.7
415.16083	100.0
416.16479	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01639	0.8
55.01881	8.8
57.03439	1.7
58.00579	2.0
59.01383	33.3
61.98835	17.2
69.46522	0.5
71.01388	18.7
71.05025	1.4
71.20521	1.4
72.99297	1.6
73.02949	3.6
74.02481	2.8
82.03012	1.0
83.01385	3.4
83.05039	2.1
84.04567	0.8
85.02959	5.7
87.00884	1.5
87.05635	1.1
89.02454	10.4
95.01389	1.3
95.05038	1.0
97.02938	0.5
97.06590	1.2
98.02512	1.1
99.00871	1.4
99.04494	0.6
101.01852	1.0
101.02456	9.4
101.07212	0.7
107.05046	1.7
108.04539	0.6
109.02980	0.9
109.04099	0.7
109.06596	1.9
111.00883	0.7
113.02446	5.6
113.03609	0.5
115.00387	2.0
116.07224	0.6
117.01958	0.9
119.03500	3.4
121.02963	1.0
121.06623	0.6
122.03757	1.7
123.04546	1.3
123.08215	1.3
124.05338	2.8
125.06104	1.1
127.00349	0.7
127.05164	5.7
128.02682	0.8
128.03563	6.8
129.01956	0.8
129.10321	1.9
130.08755	1.8
133.01471	1.5
133.06609	1.8
135.08173	0.8
137.06108	2.2
138.03250	0.8
138.06888	6.4
139.07687	15.0
139.08745	0.7
140.07964	0.7
143.11919	0.6
145.06230	2.0
147.08208	0.7
149.09729	1.4
149.73253	0.5
151.07663	6.0
151.08781	0.8
153.06938	0.5
154.99886	33.2
156.00237	1.2
158.07391	1.0
161.04631	0.8
173.00893	0.6
173.09721	1.5
175.02473	1.4
175.07666	5.5
179.07184	0.6
182.05846	1.3
185.08229	2.1
187.10963	0.5
191.10789	29.9
192.11108	2.2
209.11852	2.2
211.21165	0.6
235.09669	0.9
241.06459	1.0
259.11865	2.8
267.09750	0.8
299.09299	0.8
301.74075	0.6
309.14471	0.6
319.16687	1.3
337.17657	1.7
353.21033	1.4
355.18774	3.5
371.23242	0.8
372.55359	0.6
380.18231	2.2
397.20410	4.7
415.16113	100.0
415.21021	20.2
416.16226	12.5
416.20978	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	20.8
57.03469	0.4
59.01381	17.5
61.98833	17.8
63.43325	0.3
71.01387	7.4
71.05045	0.4
71.73106	0.5
72.01724	0.3
72.99301	1.0
73.02951	7.7
73.03345	0.7
73.04061	0.7
74.02489	2.5
81.72554	0.4
82.02975	1.1
83.01394	8.1
83.05036	0.7
84.01752	0.4
85.02965	1.8
87.00910	1.8
87.05647	0.6
88.04058	1.0
89.02448	2.2
91.20168	0.3
95.01397	0.5
95.05009	0.5
96.00941	1.6
97.02979	0.5
97.06600	1.2
98.02493	1.9
99.00892	1.2
99.04544	0.6
101.02447	2.7
105.01927	0.5
107.05018	0.5
111.00890	2.4
111.83891	0.3
111.98050	0.5
112.98831	1.4
113.02448	1.6
113.03571	1.0
114.01995	0.4
115.00401	1.5
117.01978	1.7
119.03537	0.7
122.06118	0.7
123.08187	1.2
125.06110	2.3
127.00389	2.7
127.05176	0.5
129.01979	1.9
129.10300	0.7
130.08754	1.9
131.04611	0.5
133.01456	1.4
137.09743	0.8
137.29587	0.3
137.67918	0.4
138.05598	0.4
138.09290	0.5
139.07668	1.2
139.08714	0.4
141.09233	0.4
142.99907	0.6
143.11943	0.6
145.01517	0.4
149.09769	0.5
154.99886	100.0
156.00223	3.7
161.04578	0.4
161.05934	0.4
166.08766	0.6
167.07178	1.2
169.09906	0.4
173.01019	1.1
175.02483	0.3
179.07118	0.5
180.07825	0.7
185.08206	8.0
186.08475	0.4
187.11078	0.4
191.10815	2.6
197.11847	1.3
198.08884	0.5
199.09763	1.2
213.09129	0.5
225.16180	0.5
226.28802	0.4
235.09842	0.6
255.10373	0.5
259.11844	9.8
260.12231	0.5
299.21017	0.7
301.12970	0.7
302.13327	0.4
336.19202	0.5
354.19229	0.6
371.23227	0.8
372.20337	0.5
380.18301	3.3
397.20996	1.2
414.23245	0.6
415.16351	8.5
415.21967	2.8
416.19522	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	414.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67977	0.4
55.01871	1.4
57.03443	1.4
59.01088	0.5
59.01375	6.9
61.98833	4.2
69.32893	0.5
71.01384	16.6
71.72653	0.5
72.99317	4.4
73.02958	1.1
74.02478	1.4
78.95923	0.5
82.02990	0.8
83.01398	0.9
84.02154	0.5
85.02960	11.8
87.00883	1.3
87.46212	0.5
88.04057	0.9
89.02450	3.2
93.03506	0.5
96.00950	0.6
96.96020	0.5
99.92590	0.8
101.02470	2.0
104.47135	0.5
107.05025	0.6
113.02458	0.7
114.01982	0.8
114.05567	0.5
115.00388	46.4
116.00757	1.0
116.92892	3.3
117.92895	1.4
121.02984	0.4
123.04552	0.5
127.05130	1.3
128.03539	1.6
129.01970	1.1
129.10376	0.6
133.01450	100.0
133.06540	1.0
134.01770	3.1
134.03772	0.6
135.04535	0.8
136.04050	0.5
137.00679	0.7
139.02237	2.5
141.10292	0.5
145.06184	1.2
147.03015	0.9
150.05629	2.0
154.99876	5.0
160.01657	0.9
165.00179	1.1
167.01740	53.9
168.02066	2.4
191.02037	2.6
191.10802	0.5
192.06613	0.6
192.99649	7.9
193.05183	0.9
193.13477	0.5
209.03033	1.6
210.05962	0.5
211.00714	18.0
212.01030	1.0
221.04649	0.5
236.03842	1.4
254.04913	9.2
255.05110	0.6
294.09851	1.4
298.03915	13.8
299.04297	1.1
299.20966	0.5
312.10831	0.6
369.97333	0.5
383.09988	0.8
414.04984	0.7
414.18610	0.8
414.23633	3.3
415.16797	0.9
415.22040	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	414.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
57.03447	1.0
59.01379	7.2
61.98831	5.7
68.14001	0.5
70.90459	1.3
71.01389	17.3
72.01752	0.8
72.99301	4.5
73.02953	1.9
73.04071	0.6
74.02471	2.4
75.00882	0.5
78.95900	1.0
82.02992	1.7
83.01393	1.3
83.69825	0.5
85.02953	5.4
85.98681	0.4
87.00890	2.0
87.05659	0.8
88.04044	1.1
88.98782	0.8
89.02440	4.2
92.28825	0.5
93.03429	0.4
93.31219	0.5
96.00938	1.3
96.95989	1.0
98.02528	0.9
98.95653	0.8
99.92587	1.2
100.04059	1.0
101.02451	2.5
103.68951	0.5
104.03560	0.5
107.05035	0.6
111.00904	0.6
113.02441	0.8
113.03601	0.5
114.02014	0.7
114.05675	0.6
115.00389	50.5
115.08823	0.9
115.92086	1.2
116.07191	0.7
116.92851	2.5
117.92891	1.2
119.03448	0.5
120.01281	0.8
123.04556	0.6
127.00347	0.6
127.05199	2.3
128.03549	2.3
129.01939	1.4
129.10376	0.9
131.04677	0.7
133.01451	100.0
134.01749	2.5
134.03781	1.2
134.04704	0.7
135.04555	1.2
136.04073	1.8
139.02267	1.4
141.00220	0.6
145.06195	1.2
149.06100	0.6
150.05489	0.6
154.99878	8.8
160.01718	0.5
163.03987	0.6
165.00136	0.9
166.67549	0.5
167.01736	53.9
168.02087	2.5
169.09895	0.6
171.07782	0.9
175.02567	0.8
191.01938	1.3
191.10826	0.7
192.06689	0.6
192.99654	8.1
193.05042	2.0
209.03110	1.4
210.05923	0.6
211.00714	20.7
212.01088	1.2
222.67056	0.5
223.04655	1.4
236.03876	2.0
245.94086	0.6
252.08800	0.6
254.04897	8.7
255.05193	0.8
281.19882	1.5
294.09854	1.0
298.03918	14.6
298.07306	0.9
299.04205	1.1
299.20840	1.0
327.01907	0.7
345.71634	0.5
397.21283	0.6
414.17578	2.0
414.23517	3.2
415.11893	0.7
415.16672	1.5
415.21875	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	0.9
61.40482	0.5
69.73985	3.0
69.74393	0.8
86.56528	0.4
87.78781	0.4
149.85881	0.5
357.88419	0.5
410.14948	0.5
413.30215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62715	0.5
59.01381	100.0
59.25172	0.5
59.75695	0.6
60.01719	1.0
60.38763	0.6
69.72147	5.0
77.31329	0.6
77.91430	0.6
78.54233	0.7
106.65476	0.6
122.92594	0.7
126.63300	0.6
148.85144	0.7
225.57957	0.6
346.91391	0.7
374.36841	0.7
413.30487	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	413.3061
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
54.13467	0.1
57.53564	0.1
59.01377	5.1
70.46295	0.1
70.48516	0.5
85.06559	0.2
86.70818	0.1
98.36288	0.1
182.45091	0.1
277.21667	0.3
319.89014	0.1
360.89609	0.1
413.30609	100.0
414.30948	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97779	0.4
59.01379	100.0
59.34917	0.4
60.01717	1.4
70.29118	1.0
70.29514	1.0
72.98129	0.4
98.19825	0.4
170.34676	0.4
184.89777	0.5
319.53629	0.5
333.40149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64747	0.6
51.02934	0.6
52.27466	0.6
59.01379	100.0
60.01699	1.2
70.46902	1.3
70.47285	2.2
71.92430	0.6
110.27158	0.7
117.83109	0.7
124.79908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03451	0.9
58.00585	1.0
59.01381	100.0
60.01712	1.4
61.98833	37.3
69.03477	1.5
71.01389	31.0
71.73412	0.5
72.01723	0.5
72.99313	1.6
73.02954	35.0
73.66197	0.3
74.02498	0.4
74.03307	0.5
75.00887	0.8
81.03468	0.7
83.01393	11.2
83.01862	0.7
83.05054	0.5
85.02956	3.4
87.00900	1.6
89.02458	5.9
95.01416	0.9
96.96024	0.6
97.02958	0.8
99.00916	0.8
99.05640	0.4
100.95979	0.4
101.02457	30.6
102.02783	0.7
113.02464	9.0
115.00410	1.2
119.03525	2.3
125.02435	2.0
128.03604	0.4
131.03554	3.3
133.01485	1.0
135.03044	0.9
143.03528	2.7
147.11819	34.5
148.12186	2.3
149.04559	2.3
161.04576	6.1
175.02498	0.9
191.07213	0.9
203.05710	0.6
209.07281	0.6
209.11835	0.5
221.06738	0.5
248.09158	0.4
266.09299	0.5
273.59821	0.4
341.12296	0.5
354.11179	0.9
369.63556	0.4
413.18195	1.9
413.22937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.57335	0.3
57.03438	0.8
58.00587	0.9
59.01379	100.0
60.01719	1.2
61.98831	0.7
69.03467	0.7
71.01387	23.5
71.08821	0.6
72.01736	0.4
72.99314	0.8
73.02950	30.1
74.03290	0.3
75.00917	0.3
79.41115	0.3
83.01395	6.5
85.02956	3.8
87.00904	0.9
89.02454	8.0
95.01413	1.1
97.02977	0.6
99.00909	0.6
101.02457	26.1
102.02848	0.5
113.02468	11.1
113.03251	0.6
114.02859	0.3
119.03524	2.3
121.06653	1.0
121.91087	0.3
125.02508	0.7
131.03535	2.8
137.09743	7.4
137.10783	0.4
138.10123	0.4
141.59631	0.3
143.03528	2.0
149.04594	1.9
155.03572	1.0
161.04553	3.8
176.48286	0.3
179.05652	0.5
189.12820	1.4
203.05602	0.3
214.02499	0.3
221.06703	0.4
236.84981	0.3
429.89310	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.06802	0.2
55.01870	0.6
57.03439	0.5
58.00593	1.0
59.01379	100.0
60.01704	1.4
67.51484	0.2
69.03465	0.9
71.01385	25.4
71.50057	0.4
72.01720	0.4
72.99319	0.8
73.02953	30.2
75.00883	0.5
78.25974	0.3
83.01395	7.5
83.01868	0.5
85.02953	4.5
87.00844	0.6
88.61565	0.3
89.02454	8.3
89.02992	0.5
95.01413	1.1
97.02979	0.6
97.87309	0.3
99.00896	0.7
101.02457	27.2
102.02798	0.6
110.26188	0.3
113.02463	11.5
119.03522	3.2
121.06625	1.0
125.02458	1.0
131.03519	2.6
137.09737	8.7
138.10109	0.6
143.03535	2.1
149.04507	1.6
155.03526	0.8
161.04575	5.0
179.05688	1.2
189.12874	1.5
203.05652	0.4
426.40231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96391	0.3
68.50206	0.2
70.02808	0.9
78.95908	68.1
91.08250	0.2
96.96973	5.6
118.25530	0.2
150.98059	2.1
152.99603	100.0
153.99918	2.0
154.31044	0.2
171.00662	2.6
255.23270	2.1
308.36667	0.2
317.06049	0.1
325.18216	0.2
409.23596	18.1
410.23987	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	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
54.77074	0.2
62.96413	0.4
64.11832	0.2
78.95910	69.0
96.96974	5.7
101.53224	0.2
150.98030	1.9
152.99605	100.0
153.99960	2.1
155.05864	0.2
171.00658	3.0
221.15485	0.2
255.23296	2.4
256.23721	0.4
277.21735	0.2
278.95465	0.2
409.23618	18.4
410.23959	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1271
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.98035	0.4
54.97227	0.4
55.01871	0.6
57.03461	0.6
59.01381	9.3
61.98835	3.6
71.01389	11.6
72.00912	28.8
72.99321	1.2
73.02959	2.9
74.02479	17.5
74.99104	13.9
75.99048	1.0
75.99458	2.4
76.98685	12.8
76.99541	0.6
77.99027	2.1
79.95744	4.0
80.03922	0.4
80.96521	0.7
81.63749	0.4
81.95327	4.0
82.02995	0.5
82.96133	0.8
83.01401	2.1
85.02961	5.7
87.00912	0.6
89.02440	3.1
95.01402	0.7
95.94766	0.2
95.95245	15.5
96.96026	30.3
97.02953	0.4
97.94827	15.7
97.95734	2.0
98.95612	28.5
98.96441	4.6
99.00887	2.0
99.92596	1.5
100.00420	36.3
100.04043	3.8
100.04557	0.4
100.96050	0.9
101.02452	9.3
108.65761	0.5
109.02973	2.2
111.00884	0.6
113.02463	4.4
115.00394	3.6
115.92074	0.8
116.92876	5.6
117.92875	1.0
118.05123	100.0
118.61095	0.4
118.92690	1.4
119.03516	0.8
119.05461	1.7
127.05128	0.5
128.03555	0.6
133.01466	4.4
133.02968	4.1
134.04761	1.1
135.04518	0.5
138.97098	0.5
144.03052	42.8
145.03351	1.6
147.04564	1.0
159.02989	1.1
159.04358	0.6
160.02679	4.3
161.04581	6.4
161.06041	1.5
163.04060	1.2
168.02928	0.6
173.09346	0.5
174.03284	1.0
174.05661	0.6
189.05594	9.3
189.09264	0.5
190.05952	0.9
207.06558	0.5
215.03415	0.6
229.67810	0.5
233.04564	7.7
234.04950	0.7
242.91325	0.4
251.05606	6.5
252.05983	0.5
261.00839	0.6
265.87677	0.5
277.03290	0.5
279.14502	16.1
280.14902	1.1
411.04324	29.1
411.13184	1.1
411.18442	3.9
411.26831	0.5
412.04077	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01379	100.0
60.01719	1.2
61.01796	0.3
61.98838	3.6
69.68225	1.9
71.01036	0.4
71.01388	2.8
73.02947	0.6
74.99088	0.5
75.44678	0.3
77.71530	0.3
78.95895	0.4
85.02975	0.9
87.00891	0.3
88.98837	0.9
89.02473	0.4
96.96051	0.6
101.02473	1.3
113.02454	0.5
119.03585	0.5
132.29297	0.4
133.01436	0.3
135.08180	0.3
149.04517	0.3
154.99829	0.4
161.04642	0.5
175.07703	0.7
193.85426	0.3
205.12381	1.5
266.64136	0.3
270.58627	0.3
307.17761	0.7
315.44867	0.3
326.51746	0.3
349.18799	0.5
409.04538	0.4
409.19400	0.5
409.24615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
58.00596	1.2
59.01381	100.0
59.41747	0.6
60.01720	2.2
61.98835	2.4
65.99914	0.5
70.45006	1.2
70.45405	0.9
71.01387	21.5
72.99313	1.6
73.02944	2.7
74.99115	1.1
78.95909	0.8
79.58155	0.5
83.01408	1.4
84.54830	0.5
85.02975	4.0
87.00897	2.1
89.02458	31.1
90.02797	0.6
95.01408	1.3
95.95277	1.7
96.96027	2.7
98.20560	0.5
98.95643	0.7
99.00860	0.7
99.92595	7.8
100.92606	0.8
100.93396	0.7
101.02454	13.4
113.02457	9.6
115.00430	0.9
115.92104	7.7
116.92877	33.8
117.92909	2.1
119.03521	11.9
119.04971	0.7
131.03546	2.1
133.01428	1.1
134.03741	0.8
143.03539	2.9
149.02461	2.0
149.04607	1.4
150.03316	1.2
159.02859	0.7
161.04572	5.8
164.04857	0.8
165.05612	1.9
169.93114	0.7
170.93947	1.4
175.02489	0.5
179.05637	15.3
195.06656	2.2
214.92966	1.4
260.29773	0.5
271.07074	0.6
276.98029	0.8
292.97598	1.0
305.16049	9.0
306.16431	0.8
331.17682	1.2
346.14697	0.7
349.18561	5.9
361.12949	0.7
408.98648	1.8
409.04651	1.1
409.11511	0.8
409.24918	1.1
420.41382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.7
60.99308	13.5
61.98839	3.4
69.87159	2.5
71.01376	1.7
73.02951	0.6
76.07596	0.4
78.95917	1.3
80.53862	0.4
82.43301	0.4
83.05054	0.5
85.02975	0.7
87.00909	0.4
88.98813	100.0
89.02444	0.6
89.99161	1.0
94.13943	0.4
96.95995	1.3
98.20570	0.6
101.02436	0.6
109.80619	0.5
115.00329	0.8
135.04472	0.4
152.99622	0.5
154.99904	0.6
175.02553	0.6
203.10722	0.5
251.12833	0.5
269.04865	0.5
306.11261	0.6
319.16403	0.6
366.43491	0.5
409.19153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2206
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.89164	0.2
54.38037	0.2
55.59092	0.2
58.79676	0.3
59.01382	0.4
60.24977	0.3
62.96415	0.4
70.74796	0.7
78.95910	100.0
96.96977	9.1
98.20647	0.3
150.98027	1.8
152.99612	86.0
153.99922	1.4
171.00671	68.7
172.01013	1.1
248.68039	0.3
407.21976	4.6
408.22388	0.4
422.98419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.043
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
59.01370	1.2
63.96240	0.6
64.97011	0.4
69.41898	4.7
69.42245	0.8
71.01385	1.3
74.99104	39.3
75.99454	0.7
79.95744	10.9
80.96519	2.2
82.96953	0.4
83.51089	0.4
85.02956	1.5
89.02447	0.5
95.95243	42.0
96.96024	100.0
101.02422	0.5
116.01586	0.4
119.03515	1.0
128.93271	0.7
138.97101	1.2
145.05042	0.6
161.40225	0.4
161.48396	0.4
166.03304	3.9
195.03377	2.8
196.32196	0.4
212.00204	1.5
214.98439	1.3
223.32414	0.4
230.01352	0.6
259.01303	3.8
263.41229	0.4
274.98944	2.3
328.08670	0.8
408.04297	97.6
409.04590	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	408.0429
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
59.01380	2.1
63.96236	0.8
64.97018	0.5
70.47633	0.9
71.01388	2.1
73.98331	0.5
74.99104	53.9
75.99435	0.7
76.99677	0.2
77.23669	0.2
79.95744	14.8
80.96524	2.5
85.02956	1.6
89.02474	1.1
89.47775	0.2
95.95244	55.2
96.96023	100.0
97.95965	0.4
101.02452	1.3
105.50052	0.2
111.05092	0.2
111.92944	0.4
113.02486	0.2
115.00423	0.3
119.03513	0.9
127.92449	0.6
128.93222	0.3
132.04527	0.4
133.01434	0.3
138.97116	1.3
145.05101	0.5
153.49213	0.2
163.45197	0.2
165.61467	0.3
166.03369	3.0
168.98157	0.3
195.03314	1.6
212.00238	0.9
214.98450	0.8
217.12309	0.2
230.01288	0.2
241.00240	0.2
252.91176	0.2
259.01245	3.1
274.98987	1.4
384.93234	0.2
408.04294	51.6
409.04562	5.5
429.61160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89319	0.9
55.01887	1.3
58.00593	1.2
59.01383	80.1
60.01727	1.2
61.46497	0.9
61.98826	4.1
67.91063	0.9
69.03465	2.4
69.83100	6.0
71.01391	44.7
72.01730	1.5
72.99311	2.4
73.02954	58.0
74.03307	1.8
74.99095	6.8
75.00879	2.0
79.14085	1.2
79.95753	2.6
83.01405	19.0
85.02977	5.6
87.00900	2.5
89.02458	7.7
95.95248	6.3
96.96021	14.1
98.20566	1.8
98.95629	2.0
99.00925	1.2
99.04546	1.1
99.92603	23.9
100.92638	2.0
100.93364	1.7
101.02460	48.3
102.02780	1.6
111.00868	1.4
112.98850	1.3
113.02474	11.2
115.00396	2.2
115.92097	24.7
116.92876	100.0
117.92890	6.2
119.03540	4.0
119.05083	1.1
125.02445	1.4
131.03543	3.2
133.01466	2.6
134.03777	1.5
143.03526	2.0
149.04562	2.6
155.03529	1.5
161.04593	7.9
161.05795	1.3
169.93141	1.5
170.93956	3.9
173.09415	1.6
179.03540	1.6
214.92883	4.1
234.50629	1.0
276.97919	1.5
288.14520	1.0
292.97653	2.7
349.18771	4.7
360.66251	1.1
365.14539	66.7
366.14975	7.2
366.19406	0.9
367.19659	1.4
390.97702	1.7
408.98795	6.8
409.04599	7.6
410.04117	2.0
410.26627	2.4
426.03622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
59.01380	73.9
60.01704	2.1
61.98834	24.0
65.99864	2.5
69.81305	2.7
69.81717	7.4
71.01384	9.7
73.02944	6.8
73.56609	1.3
73.91659	1.3
74.99098	2.8
82.02992	11.7
83.01392	4.3
89.02458	2.5
95.47683	1.2
95.95236	3.0
96.96027	7.0
101.02455	4.9
113.02456	3.1
119.03541	1.7
130.08791	2.5
137.64288	1.3
153.72798	1.7
154.99878	17.7
159.10304	2.4
160.07698	3.2
161.04620	2.6
162.04312	1.9
164.03558	6.1
174.05646	1.8
185.11765	1.5
186.05652	2.0
186.38055	1.3
188.07201	2.9
191.04524	1.7
193.05052	2.1
194.20045	1.4
196.06142	1.4
200.07185	1.9
202.08722	4.8
216.05054	7.8
216.10310	3.4
217.02512	5.3
217.06097	9.6
218.06897	3.1
228.06754	3.8
229.06100	11.2
230.03333	3.6
230.06918	4.5
230.12694	1.5
230.32333	1.5
231.07722	12.6
232.08484	5.7
241.06267	3.6
242.03384	3.3
243.04102	21.2
243.06531	1.7
243.07779	3.6
243.11192	1.7
244.04816	16.2
244.09790	13.8
245.09302	6.3
247.22456	1.4
248.09244	3.9
249.05168	2.4
254.07098	2.5
256.04709	7.4
257.05676	18.1
258.06293	7.4
259.07227	47.8
259.10779	6.8
260.07416	2.7
262.05963	1.8
269.09390	3.0
270.07410	1.5
271.07202	24.6
272.07794	2.4
285.04980	1.7
285.08752	5.3
287.10361	79.1
288.08759	6.3
288.11197	2.7
291.09796	11.2
298.06201	1.9
302.05295	2.2
303.06348	2.3
303.09784	3.1
313.08292	100.0
314.08585	10.4
315.06363	2.3
331.09366	62.7
332.09607	6.1
335.08710	1.8
344.22034	1.9
345.10953	9.0
347.17050	3.7
357.07251	2.1
365.18503	2.6
375.08304	24.7
376.08643	2.0
389.09808	4.2
407.10944	75.7
407.18716	6.6
407.26840	2.9
408.04953	2.1
408.11295	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	406.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01385	6.4
59.85848	0.9
61.98834	100.0
64.55634	0.9
70.45917	1.9
70.46323	3.1
71.01400	1.4
121.03001	0.9
133.01457	1.6
135.04568	1.2
153.58650	1.0
179.03506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76180	0.2
59.01382	2.6
61.98832	100.0
62.98538	0.2
67.23225	0.2
69.80482	1.2
71.01395	1.2
72.99295	0.2
73.35109	0.2
73.98289	0.2
74.99102	25.0
79.95715	0.2
81.79243	0.2
85.02965	0.3
87.00916	0.2
89.02438	0.4
95.95220	0.3
96.96010	0.4
101.02435	0.4
115.00359	0.3
119.03480	0.8
120.01259	0.4
122.31686	0.2
195.03342	7.3
196.03645	0.3
202.36078	0.2
267.12186	0.3
407.12845	0.4
408.03787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.2
58.89952	0.4
59.01379	98.1
60.01714	1.0
61.98837	2.9
67.09930	0.4
70.01764	0.4
71.01385	1.3
71.72637	0.8
73.02949	0.7
74.02463	0.5
75.00887	2.4
77.95344	0.4
82.69863	0.5
89.02458	1.1
97.06602	0.9
99.04524	2.6
113.02558	0.4
117.01973	0.8
120.70874	0.4
120.99667	1.2
135.03026	9.1
136.03377	0.5
160.40005	0.4
163.11278	0.6
165.12863	1.9
167.10815	0.5
174.52467	0.4
177.04022	0.8
183.06261	0.6
207.13956	3.6
209.11841	8.9
225.11366	1.9
225.14929	6.9
227.12894	50.5
228.13205	3.3
251.12816	1.1
269.13928	9.5
270.14215	1.0
285.11630	0.5
287.14993	100.0
288.15308	6.7
312.57373	0.5
329.10764	0.9
347.51077	0.4
373.09344	1.3
373.14294	0.4
405.17645	65.8
406.18051	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	406.1983
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
55.91254	0.8
58.02979	13.8
59.01378	13.3
60.01706	1.0
61.98832	32.4
63.99258	2.1
65.05670	0.8
69.44308	7.8
71.01385	4.9
71.02483	0.9
72.00912	4.7
72.99281	1.0
73.04075	9.7
74.02478	40.8
82.06641	0.9
84.00906	0.9
84.97462	0.8
85.02971	1.9
85.04099	1.7
86.02489	6.2
87.00869	1.1
87.05582	0.9
91.05550	1.2
96.00933	5.8
96.95972	1.0
97.04093	4.8
98.17641	0.8
101.02450	1.4
104.03551	34.4
105.03851	0.9
112.07699	3.6
113.03593	25.0
115.00358	2.6
115.05149	8.7
116.05077	18.8
117.07115	2.0
118.06650	1.4
119.05029	1.3
119.79432	0.8
120.01248	2.7
125.03603	1.8
129.10362	80.6
130.06633	1.8
130.08763	19.7
130.10677	2.6
131.05043	1.1
133.01407	1.1
134.03683	0.9
135.03014	1.0
139.08725	0.8
141.10316	1.4
142.06584	1.0
145.06589	3.2
146.06114	1.3
147.04512	2.7
151.97112	0.8
153.10345	3.0
154.08751	3.0
155.11934	2.5
160.07709	9.3
164.07210	5.0
167.08356	0.8
171.11411	57.7
172.07707	27.5
172.11760	2.7
173.08038	1.9
174.05566	1.7
175.02415	1.7
178.88106	0.8
180.06628	1.2
183.92209	0.8
186.05623	8.5
189.10291	1.5
190.08736	2.9
197.12949	3.1
198.12910	1.8
204.06676	1.6
216.06635	2.2
216.13907	2.1
221.09264	3.2
233.16655	1.1
242.11853	20.7
243.12106	1.6
245.09274	1.7
253.14305	1.3
267.12326	1.7
267.62564	0.9
275.10446	1.2
277.15631	2.2
290.18860	1.6
301.15601	8.0
302.18817	1.3
319.16620	18.8
320.16913	1.9
332.19766	2.1
344.19815	11.8
345.20023	1.8
362.20963	1.5
371.16232	2.0
376.18771	77.6
377.19070	9.3
388.18713	8.8
389.19278	1.6
406.19821	100.0
407.15378	1.1
407.20255	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03529	1.1
59.00981	1.0
59.01461	28.4
60.01786	0.5
61.98919	2.8
69.44001	3.8
71.01476	1.5
71.40918	0.3
72.99368	0.5
73.03040	1.6
75.00968	1.2
77.81780	0.4
78.40111	0.4
83.01435	0.6
85.03028	0.9
87.94310	0.4
89.02506	0.6
98.20691	0.7
98.78867	0.3
101.02572	1.0
102.35812	0.3
111.08204	0.4
113.02577	1.0
127.76102	0.4
134.03877	0.5
135.03021	2.7
137.09793	0.5
139.11308	19.1
140.11719	0.9
143.44119	0.3
163.11354	1.0
165.09300	0.4
181.12350	10.7
181.13896	0.6
183.10277	20.5
184.10745	0.6
187.09828	0.4
199.13431	2.6
207.13802	0.4
209.11853	1.2
225.11322	5.6
225.14975	1.1
226.11746	0.4
227.12892	6.2
228.13174	0.6
243.12366	100.0
244.12685	7.7
245.13980	0.5
249.11310	0.8
267.12448	0.8
269.13846	1.3
285.13596	1.9
285.56897	0.4
287.15002	17.1
288.15244	1.6
318.88400	0.4
329.11136	0.8
345.15359	0.5
373.09445	1.2
387.23532	0.5
405.11743	1.7
405.17273	11.9
405.24905	2.4
406.17661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69548	0.2
61.98833	100.0
67.16602	0.2
80.18665	0.2
167.53932	0.2
168.62872	0.2
184.57121	0.2
205.14696	0.2
404.10791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95322	0.2
53.35766	0.2
61.98834	100.0
62.98526	0.2
64.34423	0.2
69.78847	0.3
69.79265	1.0
83.65019	0.2
105.50846	0.2
109.93723	0.2
114.81499	0.2
404.10400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55690	0.2
59.01378	2.9
61.98833	100.0
62.42372	0.2
62.98536	0.2
64.59367	0.2
69.38156	2.2
71.01386	1.4
72.99327	0.4
73.02959	0.3
74.02520	0.2
75.00871	0.3
76.25877	0.2
78.95915	1.1
83.01420	0.2
85.02975	0.4
87.00898	0.2
88.98831	0.3
89.02445	0.9
96.96069	0.2
96.96981	0.4
99.00907	0.2
99.92642	0.2
101.02461	0.8
112.04065	0.2
113.02496	0.3
115.00415	0.6
119.05070	0.6
120.01266	0.2
120.99678	4.9
121.02993	0.5
121.69799	0.2
122.06168	0.6
123.04485	0.2
125.03596	2.4
127.05168	0.2
133.01491	0.4
134.04761	0.6
135.04538	5.0
136.04907	0.3
152.01222	0.2
153.04297	0.2
158.92636	0.2
161.04684	0.2
163.04036	1.2
167.03542	0.5
168.03920	0.4
175.02512	1.4
177.01814	0.2
179.03616	0.3
223.61945	0.2
243.03230	0.2
255.11258	0.2
289.11899	0.3
328.12436	0.2
341.08908	0.2
404.13742	0.4
405.08701	1.6
405.17917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01873	1.4
57.03450	2.6
58.00605	1.3
59.01379	56.4
60.01720	1.0
61.98831	33.5
68.99831	0.3
69.03460	1.0
71.01385	24.4
71.05025	0.7
71.72759	0.3
71.73162	0.5
72.01741	0.5
72.99316	1.6
73.02950	7.9
74.25771	0.3
75.00888	0.6
78.95924	0.4
83.01397	4.2
85.02956	10.2
86.00130	0.9
87.00877	4.4
89.02448	5.7
95.01395	2.1
97.02977	1.2
98.03746	0.3
99.00903	2.2
101.02455	17.1
101.64909	0.3
102.02827	0.6
111.00875	0.5
112.01685	0.4
113.02467	7.4
114.02821	0.4
115.00357	0.9
119.03524	2.0
124.01673	0.5
125.02453	1.3
141.09196	0.3
143.03554	1.1
153.12900	0.3
154.99860	0.4
157.01340	0.4
159.03030	0.4
161.04535	1.4
175.02547	0.3
179.03616	0.4
181.12372	5.2
183.13922	0.5
185.11829	2.3
185.15576	0.3
199.13414	6.9
200.13756	0.3
201.11296	0.5
213.14882	0.5
223.13374	0.6
241.14424	2.9
245.14027	0.6
247.22151	0.4
317.19772	2.2
327.09714	0.5
343.11417	0.6
343.17618	14.0
344.17957	1.4
361.18680	34.1
362.19019	3.5
371.09085	0.4
403.19727	100.0
404.20071	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	403.1976
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01884	0.5
57.03455	1.1
57.90903	0.3
58.00601	0.5
59.01381	14.5
61.98832	13.4
69.03463	1.0
69.46619	0.9
69.47041	2.0
71.01387	8.9
71.05033	0.5
72.99306	0.6
73.02941	1.7
80.02686	1.9
81.03474	0.4
83.01418	0.8
85.02967	2.8
87.00909	1.1
89.02449	4.9
95.01424	0.6
96.99402	0.3
97.02953	0.4
98.03747	10.7
98.20695	0.5
99.04552	1.1
101.02453	4.8
109.02993	0.4
113.02464	3.0
119.03532	1.4
120.01273	0.4
123.08190	3.0
125.06142	0.3
125.09723	1.9
133.01474	0.4
135.04507	0.3
141.09200	1.4
163.11324	1.6
167.10802	0.5
179.14433	3.4
181.12538	0.3
205.12405	0.5
223.13403	12.2
224.13742	1.0
225.14902	1.2
239.11906	0.5
241.14453	65.7
242.14784	5.6
242.17120	0.5
243.15988	0.8
260.29800	0.2
327.09985	0.4
343.21292	0.4
345.19177	0.5
367.18668	0.3
403.19678	100.0
404.20050	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56652	0.5
59.01385	11.9
60.01741	0.5
61.98832	8.4
69.67514	4.3
71.01389	2.6
73.02958	1.9
73.82398	0.5
74.02466	2.8
77.00153	0.5
85.02962	1.5
87.00878	0.7
87.67791	0.5
89.02467	1.2
96.96951	0.8
99.04543	0.8
101.02447	1.5
113.02501	0.8
115.08813	1.0
120.01277	0.7
123.04556	1.8
129.10352	0.5
133.01430	0.5
135.04529	0.8
135.08112	0.8
136.05304	3.7
137.06152	1.4
148.05389	1.7
149.06126	2.1
150.06889	17.6
151.07661	9.8
161.04613	1.3
161.05988	0.7
162.06897	22.1
163.07684	18.7
164.08046	1.1
165.05627	2.6
167.07123	1.4
175.07596	0.7
178.06416	1.0
179.07211	0.6
180.07954	68.0
181.08731	100.0
182.09064	6.4
193.08717	1.1
205.08710	0.8
211.83134	0.6
223.09760	2.8
264.60870	0.5
286.50070	0.5
343.14023	9.6
344.14297	1.2
403.15775	0.7
403.20471	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	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
54.63453	0.8
57.03447	4.0
58.00615	1.0
59.01379	100.0
60.01701	1.3
61.98830	20.9
65.06639	0.9
69.03439	1.3
71.01385	14.4
71.05016	1.6
71.22204	3.0
72.99308	2.5
73.02958	4.5
75.00885	4.6
78.95908	1.6
79.05539	1.4
83.01402	2.0
85.02944	3.8
87.00892	3.0
89.02449	11.5
95.01406	1.7
95.04993	1.2
95.68188	1.2
97.06604	2.6
99.04538	1.8
100.65897	1.1
101.02461	7.6
109.06595	1.8
113.02468	5.9
115.00397	1.4
119.03522	4.0
119.08670	1.7
122.06142	1.6
123.08182	2.0
131.03754	0.9
132.04562	5.4
133.10226	1.9
134.03760	1.6
135.03029	14.4
135.04536	3.8
135.08154	2.1
135.11803	1.3
137.09731	6.0
138.10193	1.0
143.07179	1.2
151.04022	1.0
158.02544	3.0
160.04070	2.0
161.04579	1.9
161.09732	5.0
162.05640	1.4
163.11302	1.6
167.07115	1.2
176.03596	2.8
179.03520	1.7
179.10765	4.7
181.08727	7.9
182.09230	1.2
187.09763	1.7
190.05112	5.5
193.05063	3.0
196.36615	1.0
197.11845	41.1
198.12224	1.7
205.05081	1.3
205.12331	1.1
211.12431	1.2
223.09836	5.0
223.13373	2.8
224.09546	3.1
225.11322	1.1
234.04134	1.0
239.11946	6.4
240.10318	1.8
241.10820	90.7
242.11064	6.9
253.06136	5.9
254.06689	1.2
255.11362	1.8
265.10193	1.3
267.07498	1.5
268.08408	2.1
281.09384	2.0
283.10898	15.9
285.13461	12.4
286.13879	1.2
309.08847	3.0
327.09888	23.8
328.10101	2.8
339.87595	1.2
359.12341	2.2
371.08859	14.0
372.09088	2.6
403.11301	17.5
403.16150	17.8
403.19586	1.8
404.11569	3.3
404.16583	2.7
416.54248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09964	0.6
57.03448	3.4
58.26157	0.8
59.01379	89.7
60.01698	0.9
60.31141	0.8
60.99304	0.8
61.98830	60.4
63.44449	0.7
71.01385	13.3
71.05028	1.2
71.73761	1.4
72.99306	1.0
73.02945	4.8
73.04432	0.8
75.00874	4.8
78.95913	2.5
79.05543	2.0
80.05067	1.0
83.01395	1.5
83.05003	1.1
85.02959	2.9
87.00896	1.9
89.02465	7.8
95.01431	1.7
97.02951	1.4
97.06619	1.7
101.02457	6.9
104.05088	1.4
106.03035	0.9
106.11282	0.8
107.05071	0.9
108.04556	1.5
109.06660	1.0
111.08134	1.3
113.02444	6.5
115.00346	1.2
115.03996	1.0
117.76405	0.8
119.03511	3.9
119.05049	0.8
119.08664	1.3
121.02991	1.3
121.06613	1.1
122.06136	6.7
123.08197	2.0
124.07707	1.2
128.03578	0.9
130.03027	3.8
130.08664	0.9
131.03712	1.5
132.04570	18.1
133.01469	1.1
133.10297	1.4
134.03777	1.7
135.03020	11.7
135.04561	3.6
135.11807	1.2
137.08873	0.8
137.09723	5.0
138.05701	0.8
143.03488	1.1
146.02461	2.2
146.06142	1.5
147.03282	4.6
148.04045	2.3
149.02390	0.9
149.06078	1.1
150.05594	3.7
158.02478	8.2
160.04063	10.2
161.04657	3.2
161.09720	3.6
162.02338	1.0
162.05634	5.0
163.07640	2.2
163.11304	1.3
167.07286	1.1
168.06787	1.2
174.05595	2.5
176.03542	12.9
176.07045	1.9
178.02837	1.2
179.03523	3.1
179.05664	1.4
179.10812	5.7
181.08713	7.4
183.09328	1.2
184.07690	1.8
187.09763	1.5
190.05101	23.1
191.05626	2.4
192.06660	1.1
193.05058	3.1
196.11357	1.4
197.11842	29.7
198.12117	1.7
204.03017	1.0
208.09853	0.8
209.07202	0.8
211.12462	4.6
212.05817	1.6
212.10872	1.9
215.11958	1.9
220.02515	2.7
222.12610	0.9
223.04875	1.0
223.08682	2.3
223.13338	2.0
224.07329	1.7
224.09546	9.3
225.08037	1.9
225.11473	1.1
226.07355	1.2
227.08276	3.2
234.04070	4.2
235.04836	1.5
239.08261	1.2
239.11896	21.0
240.10443	5.8
241.10841	70.5
242.11185	4.3
242.75050	0.8
250.07458	1.2
253.06209	16.0
254.06779	2.4
255.07817	1.9
255.11337	3.2
265.09897	3.5
267.07681	4.0
268.08530	8.1
281.09326	2.5
283.10876	58.1
284.11264	6.1
285.13480	16.4
286.13641	1.8
309.08774	9.3
311.06729	1.1
315.13312	1.6
327.09857	100.0
328.10074	11.3
341.10901	2.5
343.17523	1.2
353.07681	1.1
359.12552	5.8
360.12695	1.0
371.08835	53.2
372.09067	6.9
403.11386	48.1
403.16177	14.8
403.20123	1.5
404.11710	4.9
404.16501	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68642	0.8
59.01385	9.2
61.98831	22.2
62.00554	0.8
64.01878	0.9
64.88541	0.9
69.94674	2.1
69.95099	3.9
71.01360	1.1
73.02943	1.6
80.05068	2.6
83.05038	1.0
87.00825	1.4
87.81358	0.8
98.20568	1.3
104.05074	2.0
108.04560	1.2
116.05035	1.4
120.04632	1.2
121.02974	1.2
121.05378	0.9
122.06132	8.7
124.07703	2.2
130.02995	3.4
131.03792	1.7
132.04570	23.6
133.04918	1.6
134.06168	1.0
135.04495	1.4
137.09698	2.4
146.02547	1.6
147.03290	4.6
148.04167	1.7
150.05637	5.8
154.95644	0.9
155.10796	19.9
157.63330	0.8
158.02513	12.1
160.04068	13.2
161.04686	1.5
162.05615	4.4
172.11398	1.8
174.05641	2.9
176.03557	13.7
176.07166	4.1
177.03809	1.7
184.07666	2.7
184.11409	1.0
190.05107	27.3
191.05759	2.6
196.11298	2.5
198.04294	1.5
199.05043	1.3
199.09827	19.6
200.10115	1.1
204.03116	1.1
209.07188	1.8
211.06570	1.7
211.08789	1.9
211.12436	6.4
212.05878	2.7
212.10779	3.7
213.06671	2.3
215.11902	6.9
220.02507	2.9
223.04860	1.4
223.08687	5.8
224.07349	1.6
224.09535	19.4
225.06261	1.3
225.07962	3.4
225.09921	1.7
226.07495	4.5
227.08269	7.2
228.08842	1.7
234.04056	5.2
235.04849	1.9
237.10313	1.7
238.08794	1.8
239.04532	2.0
239.08177	4.1
239.11908	38.5
240.10243	7.3
240.12363	2.7
241.09770	12.8
250.07510	2.2
252.05460	3.0
253.06151	32.6
253.09914	1.6
254.03424	1.4
254.06679	4.8
255.07660	4.4
255.11385	9.9
256.08481	2.7
265.06564	0.8
265.09665	4.2
266.08105	2.0
267.07666	8.7
268.08539	13.7
269.08829	2.2
281.09351	7.8
282.09769	1.2
283.10870	75.5
284.11313	9.0
285.13370	1.8
287.10327	1.4
299.10236	1.4
309.08807	21.8
310.09128	1.9
311.06516	1.4
315.13464	2.8
327.09863	100.0
328.10260	8.9
341.11453	3.8
345.19269	2.9
353.07825	3.8
359.12457	4.7
371.08844	89.4
372.09216	9.1
403.11487	69.7
404.11819	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82664	0.6
59.01366	2.3
61.98825	0.9
64.01916	0.7
70.13377	3.5
71.01379	0.6
80.05044	0.9
116.04999	0.8
118.02979	0.7
122.06145	5.2
124.07694	0.8
130.03029	1.8
132.04590	12.8
133.04907	0.7
134.03781	0.8
135.03012	0.7
136.04079	0.7
146.02461	1.1
147.03275	2.5
148.04018	1.0
148.24411	0.6
150.05614	2.7
158.02505	6.3
160.04044	7.7
161.04669	1.1
162.05614	2.5
172.11429	0.9
174.05627	0.9
176.03557	8.3
176.07198	1.9
182.08582	0.8
183.09259	0.8
184.07710	1.6
185.07242	0.8
190.05118	20.7
191.05644	1.8
192.06596	1.1
193.05048	2.0
196.11328	1.5
198.04434	1.5
198.07884	0.9
199.08794	1.2
202.05289	0.8
209.07159	1.4
210.07813	0.7
211.08859	0.9
211.12453	3.7
212.05891	1.7
212.10793	1.9
213.06674	0.9
215.11856	3.7
220.02492	1.9
223.08731	2.6
224.07310	1.1
224.09488	9.9
225.08141	1.4
226.07372	2.8
227.08250	4.1
234.04153	1.2
235.04860	1.2
237.10309	0.7
238.08829	1.1
239.08305	2.8
239.11894	19.9
240.10533	4.7
240.12370	1.3
241.09814	7.1
248.05898	0.6
252.05354	1.3
253.06192	16.5
254.03015	0.7
254.06744	2.6
255.07712	2.6
255.11421	4.9
256.08334	1.1
265.09747	2.6
266.06900	0.7
267.07736	6.7
268.08453	8.8
269.08844	1.2
281.09396	3.7
283.10870	46.4
284.11209	3.6
285.13416	1.6
287.10538	1.0
309.08810	11.6
310.09125	1.2
315.13544	1.9
327.09857	41.4
328.10254	4.9
341.11423	3.3
353.07794	1.1
359.12558	3.5
371.08841	36.7
372.09155	4.0
403.11472	100.0
404.11810	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	402.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02957	1.1
58.99508	0.9
59.01377	11.1
61.98832	14.7
62.96923	0.8
71.01385	7.9
71.73121	1.3
72.99303	1.7
73.02950	1.3
73.04062	1.1
74.02476	3.9
75.00877	1.0
78.95896	1.3
85.02947	3.4
88.04053	1.4
89.02463	5.9
101.02461	4.2
103.05215	0.8
104.03550	1.3
105.03477	1.6
109.02927	0.9
113.02451	2.5
114.05614	2.1
115.00354	1.9
119.03531	1.6
120.01298	1.1
127.05179	1.0
128.03551	2.5
129.10342	2.5
130.08740	1.1
133.01419	2.2
133.02943	5.2
135.02975	1.4
161.04478	1.2
176.01163	1.8
177.01941	100.0
178.02341	5.7
179.05659	1.7
179.07071	0.9
180.07872	1.3
181.08727	1.7
189.07076	5.0
284.12335	1.1
287.07169	1.6
339.07214	37.6
340.07538	3.0
341.11078	1.7
342.11197	6.4
343.10922	1.1
373.20956	1.7
386.04892	1.0
401.20844	0.8
402.15091	1.3
402.20459	1.6
403.16382	1.8
403.21844	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	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
61.98821	2.4
64.37713	0.7
70.17156	3.5
71.01401	0.9
80.05060	1.6
122.06128	4.3
130.03021	1.2
131.03821	1.0
132.04581	9.8
147.03262	2.8
148.04025	1.0
150.05612	2.4
158.02487	4.7
160.04039	6.9
161.04674	0.9
162.05649	1.8
172.11241	1.1
174.05531	1.1
176.03551	7.4
176.07185	2.3
183.09302	1.1
184.07721	1.1
190.05127	12.4
191.05536	1.3
192.06570	1.1
197.11752	0.8
198.04323	1.1
204.03087	0.7
209.07300	0.9
211.08884	0.9
211.12437	2.4
212.05826	1.4
212.10831	2.5
213.48294	0.8
215.11919	2.2
223.08813	2.4
224.07372	1.6
224.09462	8.9
225.06396	1.1
225.08127	1.2
226.07487	1.9
227.08257	4.6
227.11859	0.8
228.08908	0.8
234.04066	2.4
237.10315	0.8
238.08853	1.5
239.04698	1.4
239.08250	2.4
239.11897	19.7
240.05191	0.8
240.10527	5.3
240.12431	1.5
241.09726	6.3
242.10107	1.0
250.07512	1.1
252.05399	1.5
252.71005	0.8
253.06165	12.8
254.06805	2.5
255.07912	3.8
255.11342	7.8
265.09885	2.7
267.07712	7.8
268.08502	9.7
269.08862	1.0
281.09286	5.9
283.10880	49.0
284.11044	3.8
285.13461	0.8
309.08829	17.1
310.08920	0.8
314.57520	0.8
327.09851	39.8
328.10089	4.9
341.11411	2.9
353.07809	1.9
359.12567	4.1
371.08862	47.5
372.09171	6.1
403.11487	100.0
404.11743	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	401.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
58.00588	1.2
58.02696	1.4
58.02978	27.9
59.01382	63.2
61.98838	1.7
64.47369	0.7
69.45574	2.3
69.45997	6.1
70.02985	19.9
71.01387	14.6
71.02512	1.4
71.05032	1.1
72.99328	1.0
73.02966	1.5
75.00876	2.6
83.01362	1.1
83.05035	0.8
84.04595	1.6
85.02944	2.8
87.00866	3.6
87.05650	3.0
89.02451	13.6
93.80069	0.7
95.02525	3.2
96.00925	21.6
97.06589	2.8
99.04514	1.9
101.02477	7.2
108.02171	1.5
111.02026	1.9
111.05630	4.7
112.04047	5.2
113.02489	4.7
113.03587	19.9
114.01990	27.1
115.00401	1.4
119.03544	3.5
123.04551	0.9
129.06714	5.4
130.08737	1.2
131.04645	43.2
132.05002	1.3
133.01427	1.3
135.03026	7.2
143.03490	1.2
149.09703	1.3
151.11273	1.6
155.04654	28.8
159.16612	0.8
161.04604	2.1
162.02335	1.3
167.10788	6.0
173.05687	12.5
175.11337	1.0
176.11766	1.0
177.12895	1.8
179.05688	3.6
195.10245	1.3
206.92444	0.6
209.11842	1.7
219.10249	1.1
221.11807	1.0
225.15033	1.9
227.12871	6.7
239.12833	2.2
268.15509	2.1
283.11847	5.9
286.16602	19.9
287.16916	1.3
323.16122	1.1
340.17645	2.6
341.10886	12.5
341.17105	3.1
342.10980	0.9
383.18256	16.7
384.16638	3.9
401.14859	5.3
401.19281	100.0
402.14313	1.1
402.19595	14.0
407.03357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75533	0.8
57.03442	2.7
58.68576	0.9
58.88758	0.8
59.01379	43.7
59.66657	0.7
60.96029	0.8
61.61542	0.8
71.01387	6.6
71.49062	0.9
71.49385	1.6
72.99305	1.7
73.02954	1.9
83.01404	4.8
85.02948	4.8
87.00888	19.2
101.02455	1.2
111.00898	5.1
113.02450	5.9
115.00385	37.5
129.21457	0.8
131.11423	1.0
139.00392	15.0
139.11307	32.4
140.11624	1.7
157.00159	1.6
157.01437	29.0
163.11334	1.7
165.09198	1.4
175.02492	16.3
181.12338	14.9
183.10277	34.5
184.10612	2.2
199.13391	5.6
225.11340	8.8
226.11655	1.4
228.21713	0.9
243.12355	66.2
244.12708	5.2
285.13388	4.7
341.11688	1.0
401.14523	100.0
402.14862	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
58.02691	1.8
58.02978	27.8
59.01384	69.7
60.01711	2.5
61.01828	0.9
61.98833	1.9
70.02988	18.7
71.01387	21.4
71.02483	1.4
71.05011	1.4
72.00922	1.4
72.01728	1.5
72.99323	2.0
73.01804	0.8
73.02967	4.4
74.02451	1.2
75.00877	3.6
79.05537	1.8
83.01415	2.0
83.05016	1.3
84.04575	1.9
85.02971	4.5
87.00878	5.8
87.05662	2.7
89.02455	20.6
91.02869	1.2
91.57101	0.8
95.01382	1.2
95.02543	3.7
96.00929	20.6
97.06602	2.4
99.04543	2.3
101.02468	11.2
102.02806	1.1
102.05660	0.8
108.02193	1.6
109.03003	1.0
109.06595	1.1
111.02043	1.8
111.05644	4.8
112.04069	4.2
113.02464	7.6
113.03593	19.3
114.01994	22.9
114.02791	1.5
115.00417	3.3
116.19407	1.0
119.03534	7.0
119.05029	1.1
119.18370	0.8
119.91975	0.9
120.03692	1.1
123.04574	1.5
128.03513	0.9
129.06729	4.8
130.08746	1.1
131.03708	1.5
131.04645	38.8
131.83026	0.9
132.04955	1.3
133.01453	1.1
135.03027	9.4
135.04579	1.3
135.08191	1.0
145.06294	0.9
149.04517	1.1
151.11345	2.5
154.99968	1.1
155.04654	28.7
156.13364	1.0
160.09001	2.8
161.04610	2.2
161.09325	2.6
162.02356	1.2
162.09587	1.3
167.10791	6.3
173.05714	12.3
175.02553	1.2
175.11371	5.6
176.11627	3.0
177.11732	1.7
177.13000	2.8
179.05681	5.0
181.80281	0.8
193.67696	0.9
195.10332	3.3
195.14073	1.1
203.10896	1.2
209.11844	2.6
219.10292	5.7
220.10706	2.6
220.49463	0.9
221.11041	3.7
225.14944	1.0
226.14647	1.3
227.12881	5.4
229.32411	1.1
239.09309	2.0
239.12956	2.0
268.15295	1.1
283.11887	4.5
286.16577	20.6
287.16949	1.5
340.17776	1.4
341.10886	16.5
341.17316	3.2
342.11395	1.6
351.56894	0.9
383.18259	15.5
384.16888	3.2
401.19308	100.0
402.19638	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	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.7
59.01379	64.5
59.26218	1.2
60.01722	1.2
70.00438	6.3
70.00832	1.9
71.01387	40.7
72.99303	3.4
73.02964	2.5
83.01398	1.3
85.02948	5.4
87.23026	1.2
89.02456	61.2
95.01398	2.7
98.20580	1.5
101.01856	2.3
101.02457	21.4
104.52138	1.6
113.02471	17.5
119.03510	23.3
126.28487	1.2
131.03580	1.8
143.03516	3.3
149.04553	2.1
152.52498	1.2
161.04521	4.2
163.38516	1.3
179.05629	24.8
341.10901	100.0
342.11093	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	401.1453
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01877	4.4
57.03449	4.4
58.00585	1.2
59.01378	31.3
60.01728	0.3
61.98820	1.2
67.01911	0.3
68.93520	0.2
69.03458	1.2
69.45309	2.8
71.01385	64.0
72.01724	0.9
72.99326	1.9
73.02951	21.5
74.02475	0.4
74.03304	0.4
75.00877	1.9
81.03482	0.6
82.93671	0.3
83.01392	10.7
84.02181	0.3
85.02959	31.7
86.00103	0.7
86.03294	0.9
87.00884	3.1
87.05669	0.3
88.04066	0.5
89.02451	9.8
95.01400	4.5
97.02968	2.6
97.06626	0.5
97.37200	0.3
99.00898	9.2
101.02455	47.3
102.02776	0.8
107.05049	0.7
111.00886	1.1
113.02462	24.6
114.02797	0.6
115.00306	0.4
115.03993	0.5
117.01893	0.3
119.03518	0.9
123.04550	0.6
125.02472	3.1
129.01949	1.6
129.06674	0.5
129.10352	0.7
130.08794	0.4
131.03551	1.4
135.03046	1.2
137.63539	0.3
143.03529	3.7
145.09854	0.3
149.04494	1.2
156.55051	0.3
159.03006	6.9
161.04573	42.4
162.04907	1.6
177.09146	0.4
179.05606	0.9
203.10770	0.4
205.03471	1.4
221.11873	0.5
223.04520	0.4
224.04924	0.4
225.05104	0.7
233.06638	0.6
239.12952	0.4
269.10281	100.0
270.10629	7.6
283.11871	2.7
293.08841	0.5
313.09207	0.5
341.10919	2.8
357.21225	0.6
359.97394	0.3
401.14511	14.2
401.19122	0.8
402.14807	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	399.2907
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
59.01381	0.5
61.98832	0.4
71.72020	0.1
71.72452	0.1
85.02978	0.2
85.06602	1.5
97.06608	0.5
101.55223	0.1
118.04107	0.1
133.70341	0.1
137.05156	0.1
311.23856	0.2
325.25397	0.2
327.26886	0.1
355.30185	0.2
373.98560	0.1
399.29044	100.0
400.29379	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	401.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.7
61.98821	1.1
69.34460	0.4
71.01379	1.7
71.08475	1.1
71.08823	0.5
74.99364	1.3
76.88005	0.4
86.21878	0.5
89.02451	2.0
101.02464	0.5
113.02456	0.5
115.02549	0.9
116.92878	4.9
117.00468	9.9
118.00546	0.7
132.98460	0.7
137.20424	0.4
141.00458	1.6
156.90845	5.8
157.03622	0.5
157.90903	1.0
159.01509	13.1
160.01628	0.8
173.01543	0.6
174.99500	9.2
175.99530	1.1
179.05630	0.7
198.02693	1.1
198.91905	9.4
198.99477	6.8
199.92033	1.3
199.99564	0.8
201.02560	4.4
215.02551	1.1
217.00551	24.3
218.00648	3.9
225.23137	0.4
231.00562	0.6
232.98433	2.5
233.98679	0.8
241.00537	7.1
242.00668	1.0
256.98511	0.6
259.01584	33.3
260.01703	5.6
273.01657	4.4
274.01669	1.1
274.99612	22.2
275.99707	4.5
283.01624	0.7
290.38058	0.5
298.99384	2.4
315.02719	7.0
316.02814	1.9
317.00656	54.6
318.00781	13.9
325.43814	0.5
333.10663	0.4
340.93134	2.9
341.00311	2.9
341.10916	3.4
341.93185	0.5
342.11252	0.8
354.54074	0.5
357.03738	5.1
358.03860	1.7
358.94275	2.8
359.01718	46.7
360.01831	11.7
383.01758	3.9
384.01404	0.8
401.02792	100.0
402.02942	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02879	1.0
55.01875	1.3
57.03448	1.2
59.01381	15.8
61.98813	1.2
63.72922	1.0
66.63513	0.9
68.99831	1.6
70.21996	5.2
71.01386	14.4
72.99306	2.1
73.02950	3.6
74.02463	1.5
74.62890	0.9
75.00898	1.1
85.02966	9.3
87.00881	45.3
88.23717	1.0
88.98821	1.8
89.02454	14.6
94.86047	0.9
95.01418	1.0
97.02896	1.1
99.00866	1.4
101.02455	7.1
107.95451	1.1
109.02919	1.4
111.00894	2.5
113.02464	5.3
115.00394	1.3
117.03605	1.2
119.03465	5.1
119.05035	1.4
121.02972	1.4
123.00890	5.1
129.01906	2.2
131.03528	1.7
133.01414	2.7
135.04576	1.4
138.03282	1.8
139.00314	1.2
149.02464	3.4
151.00337	2.0
151.04018	1.1
153.05542	2.0
161.02483	6.4
163.04007	17.6
164.04807	11.9
165.05566	2.4
166.02722	5.3
173.02451	1.5
175.03984	2.9
176.00981	1.0
176.04813	10.2
177.01920	3.7
177.05397	2.3
178.02649	1.1
178.06354	18.4
179.03552	7.0
179.05598	5.5
179.07130	23.4
180.07494	1.6
181.05034	6.8
187.04019	1.2
190.02696	2.2
191.03505	18.3
191.07104	7.3
192.04237	2.4
193.05042	7.1
193.08687	3.4
194.05840	5.8
203.03526	6.2
203.34746	0.9
204.04268	1.7
205.01398	1.7
205.05090	7.8
206.05774	6.7
207.06519	4.6
208.07393	1.4
209.08189	8.0
218.05888	4.9
219.03036	4.7
219.06622	2.0
220.03685	1.7
221.04514	4.0
221.08240	6.6
222.05264	1.5
227.22569	1.1
231.02937	1.2
233.04684	1.1
233.08081	1.5
234.05351	3.4
235.06015	2.4
236.06911	1.6
237.07649	4.1
238.04892	1.6
247.02451	6.0
247.06035	3.4
249.07671	6.4
250.04739	1.9
251.09233	4.0
261.07571	2.1
262.04852	9.0
265.07144	46.9
266.07428	5.5
277.07175	24.8
278.07504	1.8
295.08231	61.0
296.08569	6.2
325.09311	2.4
337.09195	1.0
341.06754	1.2
341.10883	23.3
342.11169	2.4
355.10324	20.1
356.10614	1.9
383.09833	7.4
401.10858	100.0
402.11276	10.3
402.19284	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37555	0.6
55.01873	0.8
57.03456	0.9
58.00603	3.0
58.14860	0.5
59.01380	56.0
60.24898	0.6
61.98831	0.7
69.45484	6.2
69.45877	0.9
69.54984	0.6
71.01388	27.5
72.99311	2.4
73.02961	0.9
81.03486	0.7
83.01402	2.0
83.05029	4.5
85.02959	6.1
85.32242	0.5
87.00920	1.2
87.25559	0.7
89.02456	26.6
91.05550	1.6
93.07113	3.7
95.01403	2.0
98.19907	1.2
99.00883	0.6
101.02456	13.9
113.02461	9.6
119.03519	9.2
119.05029	1.7
133.10262	5.1
143.03468	0.6
144.05806	1.4
145.06624	6.8
157.10234	3.3
158.07397	1.6
159.08182	5.9
160.08961	52.1
161.04602	0.8
161.09312	3.2
170.78014	0.6
173.09720	9.5
175.11299	90.6
176.11633	5.9
179.05664	0.9
219.10268	100.0
220.10626	7.7
282.81235	0.5
399.16602	75.6
400.17010	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06616	0.6
55.01872	1.2
57.03455	3.4
58.00573	2.2
59.01380	52.1
60.01695	0.7
61.98834	4.1
71.01387	34.1
71.72466	0.9
72.01723	1.0
72.04530	0.5
72.99302	3.8
73.02952	3.0
74.02463	1.1
75.00848	1.2
81.03458	0.8
83.01402	4.1
83.05035	4.4
84.02151	0.7
85.02960	20.1
87.00901	3.9
88.04046	0.7
88.98808	0.8
89.02454	24.7
91.05563	0.9
93.07092	2.6
95.01379	1.9
95.05018	1.2
96.00933	0.7
96.88386	0.5
97.06569	0.8
99.00889	0.6
100.55399	0.6
101.02460	15.2
106.38213	0.6
109.02962	0.7
111.00886	5.3
113.02480	8.9
113.03574	1.5
114.01982	1.9
115.00408	3.9
116.07157	0.9
119.03530	8.6
119.05029	1.7
120.01244	1.0
123.08165	0.8
125.02493	1.0
128.03557	0.9
129.01941	6.2
130.02246	0.9
130.08725	0.8
131.03662	0.7
131.04604	2.7
133.01440	2.8
133.10262	4.1
134.03766	3.6
135.02991	2.4
135.04538	0.8
139.04002	0.8
143.03490	1.8
145.06638	4.8
149.04691	0.7
149.06081	0.6
157.01389	1.2
157.10236	1.7
158.07437	1.1
159.08182	3.9
160.08969	43.1
161.04543	1.7
161.09303	2.1
162.33591	0.5
166.85751	0.6
173.09737	8.1
174.10034	0.8
175.02477	1.9
175.11308	71.7
176.11624	5.0
177.09169	1.0
179.03470	0.9
179.05678	1.4
191.01945	0.7
193.05061	3.7
195.06760	0.5
195.10225	0.6
199.92307	0.5
205.03529	5.7
219.10266	100.0
220.10638	7.5
221.11887	0.6
223.04605	10.1
223.94547	0.6
251.11375	2.0
377.60260	1.3
399.16776	40.4
399.21039	1.5
399.26233	1.6
400.16779	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	399.13
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
50.94321	0.6
55.01877	3.2
55.45305	0.7
57.03443	4.1
59.01381	88.3
60.01704	1.2
60.99292	0.8
62.58789	0.6
70.50124	1.6
70.50527	1.5
71.01389	11.0
72.99313	1.2
73.02944	3.4
75.93365	0.7
83.01402	3.3
83.05028	0.9
85.02957	5.6
87.00888	24.0
88.71078	0.6
88.98824	0.8
96.87546	0.6
98.01678	0.7
99.04511	1.1
101.02477	0.9
106.06650	1.2
106.98380	0.6
107.06963	1.5
111.00927	3.2
112.98827	1.0
113.02460	4.6
115.00391	45.4
116.00721	1.4
119.08692	2.6
123.08167	1.1
127.00370	0.6
128.03448	0.7
129.01958	2.2
135.08199	1.4
135.11848	1.3
137.09737	8.6
139.00391	6.2
154.99886	11.8
157.01456	13.5
161.09694	1.3
163.07692	1.4
171.39491	0.7
172.79950	0.7
175.02499	85.6
176.02827	3.7
179.10846	4.4
181.08734	7.8
195.06671	1.0
197.11844	28.1
198.12053	1.7
223.09692	1.7
235.93323	0.8
241.10825	18.7
242.11177	1.7
243.12317	1.2
283.11865	1.8
339.10818	1.8
399.12973	100.0
400.13269	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	399.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56522	0.5
55.01872	2.9
55.50495	0.7
57.03444	4.7
57.14657	0.5
59.01381	81.9
60.01693	1.4
63.90517	0.6
70.18164	3.6
70.38454	0.7
71.01385	10.3
71.05020	1.0
72.99314	1.5
73.02949	3.7
74.80514	0.6
81.40667	0.6
83.01401	4.0
83.05025	1.0
85.02962	5.5
87.00887	24.0
88.98822	1.0
99.00909	1.1
99.04507	1.4
101.02430	0.9
106.06657	1.4
107.07016	0.7
107.57575	0.6
111.00883	3.0
112.98849	1.0
113.02471	5.8
115.00393	45.3
116.00728	0.8
119.08690	1.9
127.00407	0.9
129.01939	2.2
135.08144	1.4
135.11816	0.8
137.09746	9.3
139.00407	7.4
150.05663	1.0
154.99896	12.7
156.00180	1.0
157.01448	17.3
158.01656	0.6
158.19952	0.6
161.09767	1.9
161.36746	0.6
163.07623	1.2
165.01855	1.1
175.02502	74.9
176.02869	3.4
179.10791	5.6
180.04207	0.8
181.08725	7.7
195.05040	0.7
195.06688	3.0
197.11842	26.1
198.12193	2.2
207.14357	0.7
223.09760	2.1
241.10811	22.6
242.11163	1.5
243.12352	1.3
283.11801	2.1
286.51340	0.8
339.10876	2.6
381.11642	1.3
399.12967	100.0
400.13318	12.3
412.60281	0.7
421.51071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16895	0.3
55.01889	0.4
57.03453	1.1
59.01379	4.4
61.98832	1.0
71.01389	12.1
71.74140	0.4
72.99323	0.6
73.02955	0.7
75.00882	0.4
79.43356	0.3
85.02981	1.4
92.05074	1.3
93.03476	6.6
101.02514	0.6
106.04301	0.6
107.05058	0.8
108.93369	0.4
109.06653	0.4
113.02481	1.1
114.99617	0.2
115.00391	6.3
119.05053	1.2
121.12113	0.4
125.61227	0.3
126.98998	0.3
131.05075	0.5
132.05826	9.0
133.01485	0.5
133.06616	62.1
134.06929	3.5
135.03012	0.9
148.09052	0.3
149.04564	0.4
150.03229	0.6
154.05132	2.6
154.99907	1.2
158.03740	0.8
159.04550	1.1
164.04823	6.4
165.12788	0.4
176.04823	0.7
190.02806	0.4
202.01831	0.4
208.03897	0.4
219.17569	4.4
223.04688	0.5
223.13445	0.3
239.10780	100.0
240.11118	8.6
250.03894	1.1
263.16434	2.7
265.08676	4.3
266.08783	0.4
281.14066	0.7
281.17612	2.5
283.09756	39.5
284.10068	4.9
399.05182	0.3
399.11526	0.4
399.20123	1.3
399.24399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16895	0.3
55.01889	0.4
57.03453	1.1
59.01379	4.4
61.98832	1.0
71.01389	12.1
71.74140	0.4
72.99323	0.6
73.02955	0.7
75.00882	0.4
79.43356	0.3
85.02981	1.4
92.05074	1.3
93.03476	6.6
101.02514	0.6
106.04301	0.6
107.05058	0.8
108.93369	0.4
109.06653	0.4
113.02481	1.1
114.99617	0.2
115.00391	6.3
119.05053	1.2
121.12113	0.4
125.61227	0.3
126.98998	0.3
131.05075	0.5
132.05826	9.0
133.01485	0.5
133.06616	62.1
134.06929	3.5
135.03012	0.9
148.09052	0.3
149.04564	0.4
150.03229	0.6
154.05132	2.6
154.99907	1.2
158.03740	0.8
159.04550	1.1
164.04823	6.4
165.12788	0.4
176.04823	0.7
190.02806	0.4
202.01831	0.4
208.03897	0.4
219.17569	4.4
223.04688	0.5
223.13445	0.3
239.10780	100.0
240.11118	8.6
250.03894	1.1
263.16434	2.7
265.08676	4.3
266.08783	0.4
281.14066	0.7
281.17612	2.5
283.09756	39.5
284.10068	4.9
399.05182	0.3
399.11526	0.4
399.20123	1.3
399.24399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.7
57.03450	20.0
59.01379	6.1
61.98825	2.0
67.01905	1.4
68.99838	1.0
71.01390	9.6
72.99322	1.5
73.02921	2.9
74.02477	1.9
75.00877	2.5
83.01395	11.3
84.02175	2.3
85.02960	100.0
86.03297	2.6
87.00896	1.0
89.02454	2.3
98.08854	0.5
98.20641	1.4
99.00903	1.0
101.02459	6.3
111.00896	29.7
113.02451	1.1
115.08772	1.4
117.03449	0.8
119.03550	0.8
129.01961	42.9
129.10399	1.2
130.02277	1.4
130.08731	1.8
134.03760	11.6
135.03012	0.6
135.04083	0.7
137.02332	0.7
137.09756	1.2
143.03479	0.9
143.11958	0.7
147.03020	1.3
149.06055	1.6
160.08908	3.3
161.04596	2.8
173.01019	0.6
173.09811	0.7
175.11302	5.8
178.02734	1.1
179.05772	0.8
187.02454	1.2
193.05055	6.7
194.05449	0.9
205.03546	32.5
206.03893	0.7
211.14494	0.7
219.10246	7.1
223.04610	38.3
224.04993	1.4
229.29982	0.7
238.23425	0.7
399.16452	2.3
399.26089	7.3
400.26465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03445	15.2
59.01377	20.0
61.98831	1.0
68.99787	0.8
69.16613	0.6
69.90937	4.1
70.19358	0.5
70.84490	0.5
71.01384	15.2
72.99306	1.8
73.02937	2.5
74.02471	0.6
75.00882	3.3
75.18574	0.8
75.88248	0.6
79.05497	0.7
83.01390	9.8
83.05061	0.7
84.02175	0.9
85.02956	80.6
86.03301	1.5
87.00868	2.8
89.02453	6.5
89.11864	0.6
93.07088	0.8
95.01403	0.8
95.05040	1.3
97.06590	3.2
101.02452	10.3
103.04025	0.6
109.86336	0.5
111.00897	31.3
112.01268	0.7
113.02442	2.9
115.00412	0.9
119.03519	2.5
119.04990	0.8
123.18106	0.6
129.01956	29.3
130.02307	0.8
133.10239	1.3
134.03770	9.1
135.03026	3.2
135.03929	0.6
139.04013	1.7
140.96696	0.6
141.05606	1.7
145.06549	1.0
147.03015	2.4
149.06113	0.8
160.08945	11.0
161.04573	2.8
173.00949	0.7
173.09650	1.5
175.11293	17.7
176.11568	1.0
179.05666	0.9
182.38538	0.6
187.02460	2.3
193.05083	3.1
205.03551	34.3
206.03821	1.3
219.10263	25.7
220.10625	1.8
223.04590	100.0
224.04951	4.3
247.06927	0.6
325.68204	0.6
399.12344	1.0
399.16736	10.9
399.21719	1.3
399.26270	0.8
400.16983	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	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.2
57.03450	20.1
59.01376	7.7
61.98822	2.3
67.01892	1.3
68.99818	1.0
70.02319	3.6
71.01385	11.0
72.99311	2.0
73.02943	2.4
75.00881	2.2
83.01400	11.0
83.68438	0.6
84.02180	2.0
85.02959	100.0
86.03278	2.8
87.00895	1.0
89.02454	3.8
99.00916	1.0
101.02454	7.0
111.00897	30.3
112.01206	0.9
113.02466	1.6
115.00383	0.6
115.37617	0.5
117.03478	1.0
119.03548	1.1
125.02449	0.8
129.01964	45.7
130.02274	1.7
132.24965	0.6
133.01439	0.6
134.03752	11.3
135.02959	0.8
146.55913	0.5
147.03021	0.8
149.06172	0.7
160.08932	4.4
161.04556	3.0
173.09756	1.0
175.11304	8.9
177.04037	0.6
178.02603	0.7
179.05620	0.8
187.02530	2.4
193.05093	6.7
205.03548	31.6
206.03850	1.4
219.10252	12.2
220.10522	0.9
222.50148	0.6
223.04602	28.3
224.04976	0.8
251.18040	0.7
312.02667	0.6
399.09354	1.4
399.16531	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	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26652	0.7
55.01880	5.1
57.03450	19.7
58.00581	1.4
59.01383	20.6
61.98830	6.1
67.01923	1.6
70.01288	4.8
71.01389	16.7
72.99306	3.1
73.02940	3.9
74.85001	0.6
75.00873	1.2
81.03452	1.0
83.01400	10.0
84.02179	2.2
85.02961	100.0
86.03283	2.5
87.00877	1.1
89.02463	7.1
89.02960	1.1
93.07087	1.0
99.00901	1.3
101.02457	9.3
104.82216	0.8
105.86079	0.8
111.00899	27.6
111.38656	0.9
112.01217	1.0
113.02454	3.5
119.03532	3.9
119.04926	0.8
125.02452	2.5
129.01962	39.7
130.66724	0.7
133.01407	0.9
133.10243	0.9
134.03780	10.0
145.06651	1.0
147.02998	0.8
149.06081	1.3
160.08937	11.0
161.04584	3.5
161.09338	0.9
173.09766	1.6
175.04012	1.1
175.11299	18.8
176.11638	1.3
179.05695	1.3
187.02461	1.2
193.05087	8.4
194.05382	1.2
205.03558	31.3
206.03946	1.8
219.10268	24.0
220.10619	1.3
223.04616	28.1
224.05000	1.3
255.59921	0.7
399.08932	1.0
399.16632	20.0
400.16907	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	398.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24272	0.3
55.01875	0.5
55.81588	0.3
56.98021	0.3
57.03442	0.3
59.01380	20.9
60.00943	0.3
60.01700	0.4
61.98831	100.0
69.93938	2.1
70.02993	0.4
71.01386	4.4
71.05033	0.6
71.51635	0.3
73.02950	2.3
73.18513	0.3
74.99110	0.5
83.01420	1.1
85.02938	1.8
87.00876	2.8
88.01256	0.6
89.02460	0.7
95.05060	0.3
96.00921	0.5
98.02500	0.5
99.00926	0.6
101.02442	1.8
106.06623	0.7
113.02477	0.9
114.02001	1.2
115.00380	3.9
116.00775	0.9
119.03597	0.3
129.10403	0.7
130.08777	1.3
131.04652	0.6
133.01448	0.7
135.04570	0.5
148.02328	1.4
150.05617	0.6
151.11272	0.5
154.99887	1.9
156.00278	0.5
157.01431	0.7
157.06624	0.4
160.08995	1.1
161.04649	0.5
175.02489	8.5
175.03937	0.6
175.11301	1.5
176.02846	3.7
177.03004	0.4
193.12360	0.3
195.10303	0.3
219.10358	1.4
224.17725	0.5
236.12962	0.7
240.09590	0.4
240.63777	0.3
241.10864	1.2
242.18849	1.4
249.06129	0.5
249.13431	3.0
261.06262	0.5
266.18729	0.7
271.74921	0.3
284.19940	1.1
291.14624	1.2
339.14453	0.4
354.19214	0.3
398.12106	1.0
398.18506	2.8
399.12677	0.8
399.16913	1.5
399.22574	1.7
399.26700	0.8
402.24072	0.3
410.67987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83733	1.1
55.01871	5.6
57.60904	1.1
58.02972	1.9
59.01377	19.1
61.98818	2.8
65.67893	1.1
70.51853	4.1
71.01384	12.9
71.05019	3.0
72.40227	1.2
72.99323	1.9
73.02946	13.7
74.02451	2.2
82.02981	2.0
83.01379	6.6
83.05013	1.5
84.04560	2.7
85.02950	4.0
85.97655	1.1
86.02480	9.2
87.00875	16.1
97.06589	1.2
98.20535	1.6
101.02464	2.1
106.06638	11.6
106.08976	1.1
111.00874	3.5
113.02463	1.8
115.00388	30.6
116.00734	2.0
118.23570	1.1
120.01266	11.2
121.06602	1.2
123.08183	7.1
127.05126	4.2
127.08800	11.8
128.03552	100.0
129.01962	1.9
129.03911	2.7
130.12903	1.1
131.08234	1.4
139.00375	4.9
142.99872	2.2
150.05615	10.3
151.11293	2.5
152.11563	1.8
153.06737	5.4
154.99883	24.1
156.00163	6.2
157.01439	12.4
160.08899	2.2
164.07135	2.3
171.07768	31.8
172.08076	1.3
173.09329	5.0
175.02493	55.6
175.11264	4.7
176.02873	9.7
177.02882	1.1
194.04659	2.0
197.11859	3.4
212.75154	1.3
213.03459	1.4
215.06734	3.6
215.10469	1.2
219.10265	4.7
231.04422	8.1
241.10724	10.6
249.05479	46.3
250.05705	2.1
332.33066	1.2
398.11475	5.8
399.12735	24.2
399.21411	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20499	2.2
57.96737	2.5
59.01374	3.8
61.98812	3.8
71.28421	6.3
76.23842	2.4
79.95738	10.9
80.96523	2.7
81.57199	2.4
86.51675	3.4
90.25004	2.2
95.95228	3.1
96.96021	84.9
122.97610	6.7
155.01468	2.4
168.30531	3.3
397.17291	5.3
397.22662	100.0
397.27539	8.6
398.22992	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01717	1.2
61.98821	0.8
64.02892	0.6
71.44116	1.8
89.50811	0.7
96.96066	1.2
137.46651	0.8
213.43652	0.7
335.20358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42284	0.9
59.01382	100.0
60.01704	1.2
61.98817	1.0
69.56502	3.7
69.56938	4.7
82.95022	0.9
91.82753	0.8
98.58703	0.8
101.43957	0.7
166.19307	0.8
264.89716	0.9
271.98807	0.8
280.12491	0.8
299.94751	0.9
397.22516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09591	1.5
59.01369	3.8
61.98833	2.1
68.67726	1.8
69.70472	10.1
70.20924	1.7
74.39230	1.6
79.95742	12.2
90.28867	1.8
95.95225	2.1
96.96023	77.7
107.94415	1.6
122.97570	4.6
140.64053	1.6
381.85727	1.4
397.22644	100.0
398.22998	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	397.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92526	0.4
55.01881	3.6
57.03447	0.9
59.01380	13.2
61.98832	13.3
67.01910	0.5
69.52682	4.5
71.01387	12.5
71.05020	5.8
72.99311	2.1
73.02956	3.9
83.01387	3.8
83.05030	0.8
85.02972	2.8
87.00886	20.4
88.01160	0.6
95.05048	2.5
98.20656	0.7
99.04520	3.3
101.02479	1.0
106.04256	0.8
106.06653	0.7
111.00882	2.1
112.98836	1.5
113.02479	2.8
115.00391	47.2
116.00720	1.1
117.02045	0.6
121.06600	3.6
127.00399	1.3
127.05929	0.4
129.01926	1.1
131.62163	0.4
133.10257	1.6
134.75623	0.5
135.08189	0.6
139.00404	2.0
142.99847	1.0
149.09695	0.5
150.05562	0.6
151.11311	9.7
152.11705	1.0
154.99878	15.0
156.00218	1.0
157.01476	2.7
165.05595	2.0
172.48120	0.5
173.00914	0.5
175.02499	100.0
176.02829	3.7
177.09267	2.4
177.16991	0.4
195.10236	2.2
198.31377	0.6
225.73578	0.4
239.09175	3.4
240.09537	0.5
241.10849	0.7
275.96832	0.5
323.07785	2.4
397.11404	19.6
397.15393	0.8
398.11426	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	397.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.3
57.03462	0.9
59.01382	10.7
61.98837	0.7
68.44514	0.5
69.03468	0.8
70.87848	0.9
71.01389	13.9
71.05035	4.2
72.99312	1.2
73.02954	3.8
83.01378	3.3
83.05054	0.6
85.02965	3.2
87.00888	19.5
95.05044	2.4
99.00903	0.4
99.04529	4.0
101.02462	1.2
111.00928	2.2
112.98798	0.9
113.02444	2.2
115.00391	41.5
116.00685	0.7
119.05041	0.5
121.06621	3.1
127.00415	0.8
128.03551	0.7
133.10178	0.7
135.08208	0.5
139.00381	3.3
151.11322	7.6
154.99892	11.7
156.00258	0.7
156.57486	0.4
157.01454	6.3
158.01785	0.5
165.05559	0.8
173.13423	1.1
175.02499	100.0
176.02843	3.5
177.09233	0.9
195.10298	1.9
197.11861	0.8
235.13449	0.9
239.09210	1.5
323.07889	0.6
334.26987	0.5
397.11429	16.6
397.22223	0.5
398.11957	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	396.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52744	0.2
59.01378	0.8
61.98831	100.0
62.98556	0.2
69.43346	0.2
69.83971	1.6
84.70679	0.2
115.92135	0.4
116.92126	0.2
121.02990	0.2
121.96969	0.2
193.44290	0.2
338.54446	0.3
388.02081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50080	0.4
59.01382	100.0
60.01715	1.2
61.98834	30.4
68.34627	0.4
71.01394	1.5
71.42088	0.9
77.61462	0.3
79.09563	0.4
96.96024	0.7
99.58990	0.4
106.29643	0.4
115.00391	0.6
133.01465	1.1
135.04547	0.5
146.82826	0.4
170.04134	0.4
179.03513	0.6
180.02589	0.4
281.59750	0.4
370.40958	0.5
396.24728	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	396.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
60.04396	0.8
61.98823	2.3
67.28893	0.7
69.69444	3.8
69.69859	1.5
78.11297	0.7
79.95749	1.1
90.11549	0.7
96.96042	7.4
97.93126	0.9
99.92595	60.8
100.92628	3.5
100.93211	0.7
115.00370	0.9
115.92091	11.1
116.92878	12.5
117.92879	1.4
118.89993	100.0
119.90002	6.8
131.47696	0.7
133.01434	1.9
134.89488	6.2
135.04556	0.9
135.90269	17.5
136.90392	0.8
141.93646	1.1
150.88960	7.7
152.26276	0.7
183.64824	0.7
190.14853	0.8
224.60432	0.8
277.21796	8.4
278.22040	4.3
360.13956	10.8
361.14124	1.9
396.11649	50.2
397.11859	8.8
397.16553	0.9
397.17490	0.8
397.22552	8.6
397.33484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82413	0.4
55.01870	0.3
59.01379	100.0
60.01719	1.5
60.92557	0.3
61.98830	1.2
65.87059	0.3
67.44082	0.3
68.01420	2.3
69.38206	4.2
71.01379	2.6
73.02962	0.6
80.58117	0.3
83.01444	0.7
85.02976	1.0
89.47692	0.3
90.56329	0.4
95.01478	0.3
96.17778	0.4
101.02477	1.5
101.78867	0.4
110.02522	1.3
113.02454	0.7
115.00434	1.0
135.04575	0.8
145.05145	0.4
147.04503	2.8
154.99908	1.4
156.00218	0.4
158.06165	0.8
161.04578	1.7
175.02544	1.8
188.05656	0.7
189.05653	0.4
203.05598	2.2
230.06689	4.3
239.09305	0.5
276.08896	1.0
285.67502	0.4
294.10117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.0
59.14075	0.4
60.01717	1.2
61.98834	100.0
65.85844	0.3
70.02995	0.4
71.01399	2.0
71.73588	0.4
71.73952	0.4
74.02482	1.4
82.03011	0.8
83.01396	0.6
85.02980	0.6
87.00877	0.6
96.00931	0.4
99.04556	0.4
101.02457	0.6
110.02497	0.7
113.02487	0.6
114.02019	0.4
114.05630	1.0
115.00402	0.9
116.07219	0.4
119.05013	0.6
127.05181	1.3
128.03560	11.4
130.08812	0.7
133.01509	0.8
142.85501	0.3
143.11861	0.5
149.06178	0.5
149.07268	0.5
149.36600	0.4
150.05722	0.5
154.99948	0.8
163.04001	0.9
164.07184	0.6
165.94388	0.3
172.04440	0.4
175.02534	0.5
193.05042	0.4
198.05916	0.5
198.16434	0.4
204.52882	0.3
222.85005	0.3
240.17081	0.5
241.06563	6.8
242.06813	0.5
263.23792	0.4
333.11276	16.1
334.11685	1.6
352.13275	0.5
396.16220	0.5
397.20712	1.9
397.25000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24747	1.1
59.01381	84.5
61.98834	7.4
69.97436	1.4
71.01385	13.4
71.64107	1.2
71.73526	1.8
72.99313	1.7
73.02962	2.2
73.04111	1.7
74.02492	2.3
83.01405	1.9
85.02979	2.3
87.00893	2.2
89.02456	5.4
90.36679	1.3
95.05020	1.3
96.00949	1.3
96.96019	4.3
98.95615	2.9
99.00922	1.9
99.92599	100.0
100.92616	5.6
100.93375	3.5
101.02455	5.8
109.03004	1.6
113.02481	4.3
114.94922	1.6
115.00402	3.6
115.05106	1.6
115.92099	64.9
116.92880	98.7
117.92884	7.4
119.03520	1.5
121.02982	2.6
122.06141	1.3
125.94187	1.5
125.97681	1.3
126.94916	2.2
128.03549	1.7
131.06151	1.5
131.52109	1.2
133.01448	5.4
133.02985	5.4
135.04518	2.5
142.94418	1.2
143.03458	1.5
149.02477	9.1
150.03214	1.9
151.62517	1.4
153.93683	11.3
154.94475	1.4
154.99875	2.8
159.04564	2.7
160.05421	1.4
161.04582	1.7
169.93158	3.1
170.93936	11.8
171.94781	3.0
175.05121	2.5
186.93398	1.9
197.92628	9.6
198.93427	21.8
203.95297	1.3
204.61176	1.2
204.95935	1.6
205.96832	1.4
206.97549	2.2
214.92924	2.7
215.93365	1.6
215.95235	16.7
216.95953	5.5
217.96783	2.8
218.97475	1.4
219.94734	7.8
219.96596	1.3
220.95268	1.9
230.97441	1.4
231.94698	1.6
232.95499	4.4
233.96208	3.0
234.96989	6.3
236.95004	1.8
238.96536	1.8
241.96854	2.0
242.97507	3.6
243.98322	50.9
244.95651	8.5
244.99094	75.7
245.99245	10.3
248.94843	2.3
259.94269	1.7
260.95062	4.3
260.98425	2.4
262.96310	1.9
267.67520	1.2
270.96924	3.2
276.98157	4.6
277.94937	1.4
278.96228	1.7
280.16769	1.4
287.97272	2.4
288.98096	12.0
289.98111	1.5
304.97830	1.3
314.96011	4.2
332.97128	13.7
333.97415	2.2
334.15985	1.7
335.17148	4.5
352.11649	2.0
371.72629	1.2
376.96097	16.5
377.96173	1.9
394.17349	2.2
395.14282	2.8
395.18698	2.5
395.23260	2.9
396.76505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.9713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95327	0.4
59.01389	3.2
65.43176	0.4
70.73495	0.6
70.73834	0.8
71.01385	1.2
83.17667	0.4
84.93895	0.6
96.96007	2.3
98.19823	0.4
98.95609	4.0
98.96474	0.6
99.92599	40.2
100.92618	2.8
100.93269	2.9
109.02981	0.5
110.48016	0.5
115.00389	1.0
115.92096	32.8
116.92878	100.0
117.92899	6.4
117.93698	0.5
118.92717	0.7
121.02945	0.5
125.94178	0.7
133.01474	2.5
133.02991	1.2
135.01869	0.6
135.04539	1.8
143.07077	0.4
143.95229	0.5
147.00925	0.6
148.70050	0.4
149.02466	3.4
150.03235	0.7
153.93706	2.8
154.94446	0.8
160.05327	0.6
161.02441	0.6
169.93103	2.3
170.93939	6.3
171.18475	0.4
171.94722	1.5
174.93488	0.4
178.02701	0.6
179.03519	1.1
186.93404	1.0
197.92636	5.0
198.93440	11.4
199.93623	0.7
204.95967	1.0
205.96713	0.6
214.92813	2.9
215.93542	0.7
215.95242	4.3
216.95930	1.7
217.96591	0.7
218.97455	0.6
219.94762	2.7
220.95505	0.9
230.93936	0.5
231.94756	0.8
232.95595	2.2
233.96286	2.1
234.97052	5.0
236.95009	0.7
242.97408	0.6
243.98286	5.5
244.95461	2.2
244.99110	8.0
245.99188	0.9
259.94073	0.6
260.94928	0.9
260.98642	0.5
262.96527	2.0
270.96979	0.9
274.96326	0.7
276.97974	0.7
278.95956	1.4
288.98154	3.5
290.96097	1.6
304.97589	0.8
314.96057	0.7
330.95520	0.5
332.97110	3.3
346.95197	0.6
358.95328	0.5
376.96136	13.2
377.96387	2.3
394.97147	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	394.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59938	0.9
52.83878	0.9
59.01384	2.7
61.98834	100.0
68.82024	0.8
71.00966	1.9
71.01339	1.2
78.95888	1.1
79.95724	1.7
96.96021	1.9
98.38130	0.9
99.92595	1.5
104.87076	1.0
116.92892	2.6
133.01419	1.0
173.41481	0.9
177.10083	0.9
193.04961	1.0
372.72665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03456	1.7
58.00601	0.8
58.38507	0.3
59.01381	100.0
60.01717	0.9
61.98835	2.2
64.84662	0.3
69.03458	0.6
69.66747	2.6
71.01389	23.7
71.05050	0.6
72.01720	0.5
72.99319	1.2
73.02952	7.3
75.00928	0.3
75.06776	0.3
83.01389	3.1
85.02963	8.7
87.00899	1.4
89.02457	10.9
89.02988	0.6
95.01399	2.1
97.02976	0.5
98.19904	0.6
99.00896	1.9
101.02456	16.3
102.02825	0.5
109.02946	0.3
111.00903	0.4
113.02463	11.7
115.00396	0.8
115.07690	0.7
119.03526	3.1
120.99664	0.4
125.02452	0.8
131.03528	0.5
133.01440	0.9
135.04565	0.7
143.03557	0.6
143.10822	0.8
149.04628	0.7
159.03023	1.2
161.04550	5.6
167.28732	0.3
179.05693	0.9
189.14969	9.2
190.15411	0.4
231.16132	0.3
232.08134	0.3
232.29471	0.3
240.03651	0.4
248.58148	0.3
275.18887	0.3
333.19189	10.7
334.19626	1.3
342.18353	0.4
351.20258	27.3
352.20657	2.7
372.09512	0.5
393.21274	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	393.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16798	0.3
59.01379	0.4
62.20287	0.4
67.44734	0.4
69.83916	0.3
71.01379	4.1
71.09783	0.9
72.99304	0.9
79.95739	1.4
85.43615	0.3
89.02464	0.6
96.96024	100.0
97.95936	0.4
98.71522	0.3
107.05025	0.4
114.99564	0.5
115.00384	12.0
133.01450	49.1
134.01765	1.3
135.04546	10.8
136.04915	0.4
179.03514	12.7
180.03835	0.7
201.39230	0.3
232.99623	0.4
295.04623	3.8
316.77576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
69.70629	0.7
69.71040	2.1
71.01382	9.4
72.99310	1.7
74.39838	0.4
77.06767	0.3
79.95722	0.4
82.42313	0.3
87.00897	0.4
89.02477	0.9
90.01257	0.4
96.96023	14.3
96.96982	0.7
98.19816	0.5
115.00392	25.3
116.00758	0.5
124.11636	0.4
133.01451	100.0
134.01787	2.6
134.03767	0.9
135.04541	23.1
136.04883	1.0
179.03511	26.1
180.03822	1.2
221.24667	0.4
295.04593	7.5
296.04935	0.9
358.85837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29384	2.9
59.01378	100.0
61.98820	9.7
69.37807	39.0
70.63605	2.8
86.62777	2.8
145.39281	3.0
152.99594	13.0
154.66362	2.7
156.14594	2.9
195.49693	2.9
198.86343	3.2
199.47356	2.6
255.23302	72.7
256.23660	7.3
391.21973	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20409	0.3
61.98830	100.0
71.50532	0.5
88.64334	0.3
93.08583	0.3
307.56168	0.3
328.53683	0.3
362.86139	0.3
380.23526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.75111	0.5
57.03448	12.9
58.00586	1.3
59.01378	31.3
61.98835	1.5
63.41137	0.5
67.01889	1.1
69.03454	2.0
70.59827	0.8
70.60233	1.2
71.01386	25.3
72.01714	0.6
72.44586	0.5
72.99304	1.6
73.02952	3.4
74.02436	0.6
78.95892	0.6
80.02653	0.5
81.03454	0.6
83.01382	1.5
83.05039	0.8
85.02951	6.8
87.00875	1.6
89.02454	18.0
92.95933	0.5
93.03484	1.0
95.01405	1.8
95.05039	3.6
96.96031	4.2
96.96957	1.1
97.02962	2.5
97.06598	16.8
99.00884	1.3
101.02455	12.2
102.05608	0.9
105.50616	0.6
107.05048	1.9
109.06605	6.0
111.02018	1.1
111.04536	3.8
113.02475	8.7
113.06093	2.4
114.93462	1.0
115.00323	0.5
119.03513	5.3
121.06609	3.5
123.08176	55.6
124.08463	2.8
128.02696	0.5
128.03549	2.3
131.03560	0.7
131.08701	0.9
133.01451	1.4
133.89914	0.5
134.03743	1.5
135.04521	3.5
143.03445	0.9
149.09741	6.8
153.05594	1.0
159.03049	0.7
161.04536	3.3
167.10773	10.8
168.11157	0.7
174.50766	0.5
179.05693	2.6
183.10298	1.1
193.04962	0.7
193.08693	2.1
211.09756	100.0
212.10106	6.0
240.90453	0.5
263.13995	1.4
275.06686	0.6
293.12430	1.3
297.08823	1.1
305.39523	0.5
329.10727	0.6
359.08713	0.8
373.15170	0.7
389.68811	0.5
391.11349	0.8
391.16104	7.8
392.18515	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
61.98833	100.0
62.98564	0.4
70.75954	0.8
81.38709	0.3
89.33747	0.3
115.14505	0.3
124.24325	0.3
125.49432	0.3
166.34070	0.3
227.34161	0.4
242.55069	0.4
251.19864	0.3
260.38116	0.3
287.67172	0.3
317.21140	0.3
376.60654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28464	0.6
55.01877	1.7
57.03455	6.9
58.00591	1.4
59.01382	39.6
60.01741	0.6
61.98831	2.7
69.03448	2.5
69.58425	4.8
71.01386	26.8
71.05021	1.2
72.01717	0.7
72.78616	0.5
72.99308	2.5
73.02946	4.7
74.02496	0.7
74.22433	0.5
74.99078	0.5
75.00877	1.1
78.95905	1.8
81.03451	1.3
83.01389	2.6
83.05047	1.8
84.02178	0.6
84.04574	0.6
85.02956	8.4
87.00873	2.6
89.02454	19.0
90.02769	0.5
91.05507	0.8
93.03469	1.9
94.04256	0.9
95.01414	2.3
95.05037	3.4
96.96025	6.6
96.96969	2.0
97.02975	6.5
99.00867	1.1
99.92596	1.5
101.02458	14.3
102.05627	1.6
107.05032	5.7
108.02172	1.8
109.02958	1.2
109.06611	24.1
110.06950	1.2
111.02025	1.4
111.04535	20.9
113.02459	10.8
113.06093	5.5
114.93403	0.7
115.00394	1.1
115.08808	1.3
119.03523	6.5
119.05034	0.8
123.04512	2.2
124.98034	0.5
128.03554	4.8
129.17981	0.5
131.03514	0.8
131.07167	1.9
133.01463	1.2
133.03008	0.5
134.03748	2.1
135.03012	0.6
135.04539	7.3
136.04753	0.5
138.06926	2.6
141.03806	0.6
143.03516	1.2
146.04585	1.2
149.04767	0.6
149.09731	6.0
151.04025	1.2
153.05586	5.1
153.06717	0.9
159.03017	1.0
161.04590	3.8
163.04024	0.7
167.10806	12.0
168.11163	0.9
178.02676	0.5
179.03537	1.6
179.05624	1.8
183.10223	0.5
193.05055	2.0
193.08684	3.4
211.09767	100.0
212.10126	7.9
255.42908	0.6
256.07269	0.5
263.13971	2.1
271.10870	0.7
282.06583	1.0
293.12494	3.9
297.08813	1.8
315.09769	1.2
327.29663	0.6
329.11053	1.0
343.18857	0.5
359.08841	0.6
391.11481	0.9
391.15936	5.0
391.19327	0.5
392.18268	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	389.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01719	1.3
61.98838	1.4
62.21764	0.3
64.04988	0.3
70.30276	0.3
70.75672	0.3
70.84100	0.3
71.10046	0.5
71.10409	0.6
83.30734	0.3
95.12765	0.3
115.51250	0.3
127.77001	0.3
230.72166	0.3
244.46492	0.3
283.26682	0.5
329.30612	1.0
389.27121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60836	0.5
59.01381	3.5
61.98831	100.0
68.33830	0.5
70.65411	0.4
71.01377	0.5
71.22148	1.0
78.95929	0.6
92.07258	0.4
95.58193	0.4
96.96022	0.7
139.15573	0.4
193.05026	0.5
234.80305	0.4
248.06633	0.6
291.35916	0.5
382.45056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64511	0.3
59.43470	0.3
61.98832	100.0
63.63282	0.3
69.26130	0.3
69.65445	0.3
69.70683	0.3
69.97972	0.3
71.18236	0.6
71.18614	0.6
90.51503	0.3
138.60948	0.3
176.72746	0.3
368.30261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01383	9.5
60.69410	0.2
61.98837	1.3
63.64869	0.2
70.80335	0.2
71.01395	1.0
71.05017	0.3
73.02964	1.3
79.95757	0.2
83.05040	0.4
85.02972	1.0
87.00871	0.4
87.04525	3.5
89.02443	0.7
95.05025	0.3
97.06608	1.4
99.08177	1.1
101.02446	0.5
101.06111	0.3
104.39982	0.2
109.06596	0.7
111.08195	0.4
113.02473	0.5
113.06155	0.3
113.09798	0.4
115.00377	0.3
119.82902	0.2
123.08202	1.3
125.09750	2.3
127.07640	0.6
127.11320	0.3
129.09218	0.8
135.08144	0.4
137.09680	0.4
138.06902	0.4
139.07678	0.6
139.11273	0.2
141.09264	0.4
143.10840	1.0
149.09798	0.2
151.11292	0.5
152.08467	0.3
153.09230	1.3
155.10820	0.4
157.08708	0.6
159.08159	0.3
167.10779	0.9
169.12367	0.4
171.10289	7.4
172.10631	0.5
175.02496	0.2
183.13893	0.5
185.11824	0.4
187.13393	0.9
191.14458	0.4
197.11818	0.2
200.10655	0.3
201.11295	1.5
215.12935	0.8
227.12880	1.1
230.26376	0.2
235.17047	1.0
245.13963	0.8
246.14702	0.5
251.16454	0.3
253.18053	0.6
269.17337	0.2
271.19180	0.9
281.17554	0.4
283.19128	0.2
289.18130	0.2
293.21167	0.3
307.19348	0.2
329.23395	0.8
341.23489	0.4
343.21222	1.2
353.23242	0.6
357.22641	0.3
359.24298	0.6
362.90982	0.2
369.22867	0.6
371.24374	4.0
372.24887	0.4
387.23560	1.0
389.25455	100.0
390.25818	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	389.2548
Annotation	bhos#24
Peak:m/z	Relative Intensity
54.54990	0.2
57.03447	2.0
57.38548	0.2
59.01381	69.5
60.01719	0.6
61.98830	0.8
69.56094	0.5
69.56495	1.7
71.01392	1.1
71.05040	0.6
73.02943	1.5
85.02972	1.3
87.04521	3.6
89.02476	0.2
96.96036	0.3
97.06608	2.0
98.19780	0.4
99.04514	0.7
99.08157	1.6
101.02525	0.4
101.06081	0.3
102.29680	0.3
109.06607	0.8
111.08200	1.0
111.29784	0.2
113.02510	0.4
113.09740	0.8
121.39329	0.2
123.08160	3.4
129.09251	1.6
130.08759	0.9
135.08177	0.5
137.09711	0.3
138.06876	0.4
139.07677	0.7
139.11292	0.3
139.60057	0.2
140.82469	0.3
141.09248	0.5
143.10791	1.9
149.09798	0.3
152.08432	1.3
153.09177	1.3
155.10742	0.3
157.12430	0.4
164.07164	0.5
167.10828	1.1
169.12329	0.5
177.12863	0.4
185.11925	0.4
187.13393	2.8
205.15956	1.3
207.17636	0.5
215.12752	0.4
216.13669	1.8
217.14119	0.3
223.17038	0.6
235.16988	0.5
245.13966	0.3
247.16978	0.3
249.18550	1.8
251.20206	0.6
255.62621	0.2
259.17047	0.8
267.19669	0.7
275.20135	0.9
277.18155	0.5
291.19781	0.8
293.17862	0.4
293.21201	7.4
294.21576	1.0
311.22256	4.1
312.22745	0.5
327.25476	0.4
329.23315	2.9
366.40155	0.3
371.24249	0.8
376.46661	0.3
389.25452	100.0
390.25797	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.57467	10.5
61.98834	35.4
64.08466	9.8
70.58828	26.4
70.59232	20.5
86.38743	10.7
106.69151	10.6
240.94203	12.7
350.02332	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.62233	10.3
61.98835	45.9
64.66604	8.4
71.16542	15.1
71.16866	18.5
73.02938	11.4
116.92876	11.8
205.79756	9.2
273.73593	10.3
389.29080	42.0
405.95425	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	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
56.16909	0.6
57.03453	2.6
58.00593	1.7
59.01379	100.0
60.01711	1.5
61.98834	1.8
69.03461	1.9
70.22820	1.2
70.23229	2.8
71.01385	48.8
72.01730	1.0
72.99327	2.3
73.02951	56.8
75.00883	0.8
81.03452	0.9
83.01392	16.2
85.02959	8.6
87.00877	3.3
89.02448	12.1
92.52148	0.6
95.01417	2.2
97.02995	1.4
99.00915	1.7
99.04522	0.8
101.02454	46.6
102.02839	0.8
113.02461	14.2
119.03517	4.4
121.10240	2.1
125.02462	1.5
129.09222	0.6
131.03560	2.4
136.99226	0.6
143.03471	3.2
149.04605	1.9
155.03561	1.1
161.04564	6.6
167.10788	22.3
168.11147	1.3
171.10446	0.7
185.11913	2.1
205.59772	0.7
215.12874	0.6
227.07217	2.4
253.35838	0.7
283.48898	0.7
303.18277	1.7
329.16034	10.8
329.23560	0.9
330.16592	1.4
347.17102	23.5
348.17578	2.3
371.24429	1.3
389.18390	83.6
389.25671	24.8
390.18735	11.1
390.25937	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	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44470	60.0
54.83916	59.5
71.15190	59.5
71.35145	72.7
71.35481	100.0
97.42320	68.5
100.90093	73.0
155.21642	68.0
193.27928	76.8
232.58092	66.6
244.30112	63.4
309.23749	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26440	0.7
59.01380	100.0
60.01710	1.0
61.98827	6.2
64.49414	0.7
70.22569	2.6
116.92857	1.6
128.17082	0.7
134.70174	0.6
140.47711	0.6
146.96613	1.0
253.21756	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	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	0.9
61.98833	13.5
62.04958	0.5
70.02111	2.8
71.01374	0.4
73.49670	0.4
78.22038	0.5
110.10496	0.4
139.33357	0.5
160.59294	0.4
253.21693	8.2
254.22054	0.6
387.29080	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27629	0.4
57.02113	0.5
59.01381	100.0
60.01729	1.2
61.98834	4.3
70.63624	1.1
70.64018	1.0
86.22034	0.5
92.68538	0.5
105.02097	0.5
110.23890	0.5
147.90245	0.5
171.20636	0.5
222.57387	0.6
245.07478	0.5
251.33255	0.5
270.33130	0.5
307.39868	0.6
321.29343	0.5
387.29089	1.0
394.22986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64723	0.3
53.78369	0.3
59.01378	100.0
60.01717	1.0
61.98829	1.9
66.88168	0.4
67.93297	0.3
71.01382	0.4
71.74079	0.5
89.02469	0.3
150.72636	0.4
325.20737	0.3
327.29330	0.8
387.25552	1.4
410.85352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.188
Annotation	Cilazaprilat
Peak:m/z	Relative Intensity
57.03455	0.6
58.02966	1.3
59.01381	15.1
59.07270	0.4
59.24547	0.4
59.70325	0.4
60.01725	0.7
61.98835	6.5
62.86761	0.4
66.03490	0.6
67.01887	0.7
67.03025	1.7
69.40728	2.3
69.41162	2.1
70.02995	0.6
71.01394	3.0
71.35474	0.4
72.00914	3.3
73.02954	1.7
82.03002	5.5
82.06638	1.6
84.08164	0.6
85.02950	1.2
87.04533	0.4
91.05559	1.4
91.32896	0.5
94.02998	0.9
94.41062	0.4
95.01449	0.5
96.04565	1.0
98.02527	0.7
99.02036	0.7
100.07703	0.5
100.42960	0.4
101.02486	2.1
107.02534	1.8
109.03395	0.7
109.04095	12.0
110.02477	1.2
111.02009	0.4
111.03275	0.7
112.04043	2.0
112.07710	0.4
113.02486	0.5
113.03580	0.7
113.09686	0.5
114.09300	0.6
115.00397	0.6
118.06661	2.4
123.03204	0.9
123.08145	0.8
125.03646	0.6
126.09258	1.9
127.05156	31.0
128.03583	3.1
128.05551	0.9
129.10349	1.9
130.08759	31.7
131.05055	1.3
131.09093	1.2
136.04083	0.5
136.11353	1.6
139.07722	0.6
139.08754	0.6
141.10323	0.9
147.04547	11.7
152.10768	0.5
154.99883	1.1
164.07185	35.4
165.05470	2.3
165.07602	1.9
166.09770	0.5
169.09831	0.7
170.09761	1.5
179.11937	4.2
180.10327	6.6
185.11818	0.6
195.07831	1.0
195.11411	2.1
197.12991	1.0
201.11327	3.2
213.10367	1.2
214.08765	4.4
215.08989	0.4
215.10966	0.5
215.12807	0.5
216.13843	2.0
222.12488	34.9
222.29875	0.5
222.54013	0.5
223.10890	16.4
223.12869	2.0
224.11288	1.2
226.11636	0.5
229.09906	0.5
231.11383	1.0
233.16635	1.3
237.35167	0.4
240.13562	5.3
256.10855	0.5
257.09299	22.1
258.09698	2.2
260.12985	0.7
287.12814	0.6
305.12192	0.5
344.19815	10.1
345.20081	1.4
370.23224	0.8
371.24365	1.7
388.18817	100.0
389.19138	13.0
389.25433	14.5
389.29520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01884	1.5
57.03445	1.5
58.00590	1.8
59.01381	100.0
60.01719	1.1
61.98829	1.8
69.03454	1.2
69.58081	5.8
71.01386	49.3
72.01733	1.5
72.99316	2.6
73.02952	62.0
74.03307	1.1
75.00904	0.8
77.52719	0.6
81.03497	0.9
83.01393	17.3
84.01727	0.8
85.02967	7.7
87.00881	2.9
89.02452	13.2
91.96687	0.6
95.01386	1.6
97.03010	0.8
97.06593	0.7
99.00912	1.5
101.02458	47.3
113.02456	14.3
115.00414	0.9
119.03546	4.2
119.05032	5.7
120.05376	2.2
120.99679	2.6
121.10251	19.7
122.10614	0.8
125.02473	2.0
131.02654	0.6
131.03479	3.8
134.03799	0.8
143.03532	4.3
145.02965	1.3
147.65506	0.6
149.04553	2.9
155.03542	1.5
159.03036	0.7
161.04582	9.7
163.04042	1.5
164.04419	0.7
165.09227	12.0
166.09608	1.0
167.10870	0.8
179.05592	0.8
183.10283	2.0
193.05103	1.3
203.05748	0.9
212.08482	1.0
225.14963	1.3
255.02998	1.2
256.03448	0.6
271.02539	1.4
271.09708	1.1
284.10440	0.9
299.12979	0.9
300.02780	1.8
301.03281	2.2
301.16650	1.0
327.14520	3.8
343.11777	1.1
345.15573	7.9
346.15900	0.8
386.59714	3.1
387.11539	2.8
387.16595	50.0
387.27911	1.1
388.17026	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	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39619	13.4
58.47925	13.3
59.01370	54.1
61.98830	100.0
71.06952	14.4
71.65781	18.7
116.92818	16.9
145.84796	15.3
151.33319	13.2
226.23430	17.8
387.28851	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	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99500	0.2
54.47247	0.2
55.06022	0.2
57.03454	0.5
59.01369	1.3
61.98832	100.0
62.98516	0.2
71.01407	0.3
71.31354	0.4
71.31705	0.2
72.63023	0.2
84.12506	0.2
84.78546	0.2
85.02957	3.1
85.03447	0.2
93.36163	0.2
94.24411	0.2
96.50717	0.2
99.00889	0.2
101.02469	0.2
106.62701	0.2
111.00881	0.2
116.01087	0.2
128.10815	0.3
129.01955	0.3
130.08755	4.2
130.09659	0.3
133.01462	0.3
147.03023	0.4
181.44244	0.2
187.39613	0.1
191.01974	1.0
208.56940	0.2
209.03117	0.6
223.04692	0.6
282.85590	0.2
304.59174	0.2
322.20221	2.4
323.20419	0.2
392.02109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2749
Annotation	HU-211
Peak:m/z	Relative Intensity
53.13988	0.3
53.38047	0.3
57.03442	0.9
59.01374	3.2
61.98826	0.4
71.01368	0.4
71.74157	0.5
84.00907	0.6
85.02962	5.6
89.02458	0.4
108.86425	0.3
111.00896	0.5
121.27548	0.4
129.01962	0.6
147.03011	0.6
160.44740	0.3
187.81776	0.4
191.01967	1.6
196.80255	0.3
205.52376	0.4
209.03006	1.0
223.04596	0.5
385.27484	100.0
386.27835	15.9
407.04065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01878	1.9
56.99819	0.3
57.03450	2.3
58.00598	4.3
59.01381	100.0
60.01717	1.5
61.98830	1.1
69.03476	0.4
70.74536	0.7
71.01387	72.2
72.01719	1.2
72.99315	4.9
73.02954	5.1
75.00877	0.3
81.03481	0.6
83.01403	3.4
84.02173	0.3
85.02960	15.2
85.49447	0.2
86.03295	0.3
87.00897	3.8
89.02455	82.2
90.02792	1.5
95.01403	4.6
95.05038	0.3
97.02973	1.0
99.00903	1.8
99.04546	0.4
101.02457	40.9
102.02792	1.1
107.03542	0.3
107.05008	0.4
113.02465	28.9
114.02796	1.0
115.00369	0.4
115.04051	0.2
119.03520	35.9
120.03882	0.9
121.06624	0.2
123.08177	2.6
123.78690	0.2
125.02470	0.8
125.09713	0.8
128.03499	0.2
131.03519	3.9
133.01511	0.3
135.04587	0.4
135.08214	1.3
137.09737	0.7
138.06931	0.7
139.07658	0.3
143.03516	6.4
147.08194	1.5
149.03464	0.4
149.04575	3.7
149.05759	0.2
149.09808	0.3
151.07675	0.6
152.08423	1.2
153.09236	13.8
154.09604	0.5
159.02986	1.0
161.04581	9.3
163.11311	0.4
165.09273	0.9
171.08231	0.2
177.12909	0.3
179.05630	15.3
179.10786	0.3
180.06009	0.6
187.11295	2.1
188.11668	0.4
189.09242	0.7
190.09981	0.7
203.10835	0.3
205.12343	12.9
206.12703	1.1
220.21410	0.2
223.13406	2.8
224.13728	0.2
385.18695	16.8
386.19049	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1864
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01878	1.3
55.79609	0.2
56.99807	0.2
57.03446	2.2
58.00596	3.6
58.40339	0.1
59.01379	100.0
60.01719	0.9
60.30229	0.2
61.00066	0.2
61.98837	1.7
64.52047	0.2
69.03465	0.4
71.01385	65.5
71.73122	0.2
72.01723	1.3
72.99310	4.5
73.02954	4.0
73.99652	0.2
75.00876	1.3
81.03463	0.4
83.01389	2.8
83.05028	0.2
84.02175	0.5
85.02958	14.2
86.03323	0.2
87.00883	3.4
89.02453	72.9
90.02777	1.2
93.03490	0.2
95.01397	4.2
95.05057	0.2
97.02957	0.8
97.06638	0.3
99.00880	1.3
99.04547	0.3
101.02455	38.7
102.02811	1.1
107.03501	0.2
107.05050	0.5
109.06600	0.4
113.02462	25.6
114.02828	0.7
115.00408	0.8
115.04012	0.3
118.06622	0.2
119.03516	31.8
120.03860	0.8
121.06662	0.2
123.00872	0.2
123.08192	2.4
125.02467	0.8
125.09736	0.7
129.01938	0.5
131.03517	3.4
133.01447	1.5
134.01794	0.2
135.03027	3.2
135.04547	1.0
135.08183	1.1
135.11760	0.2
139.00345	0.2
143.02382	0.3
143.03519	6.1
144.03748	0.3
145.02942	0.2
147.08170	1.6
149.04572	2.7
153.09235	11.1
154.09572	0.5
154.99858	0.4
159.03032	1.0
161.04572	8.2
161.09709	0.3
162.04906	0.3
163.11295	0.5
165.09248	0.6
167.96555	0.2
171.08237	0.2
177.12823	0.3
179.03229	0.4
179.05630	13.8
179.10800	0.6
180.04132	0.2
180.05981	0.6
187.11273	2.3
189.09229	0.5
190.09976	0.8
191.01939	0.3
202.39340	0.2
203.10844	0.4
205.12337	11.1
206.12677	0.9
209.02982	0.3
217.83449	0.2
223.04593	0.5
223.07730	0.2
223.13365	2.9
224.13684	0.2
227.12865	0.4
263.80206	0.2
267.12396	0.8
313.21454	0.2
385.18716	17.5
386.19049	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	385.1868
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.01874	2.2
57.03445	4.2
58.00597	3.5
59.01381	57.3
60.01721	0.6
60.99274	0.3
61.98847	1.9
69.03460	1.0
69.80567	0.4
69.80973	1.7
71.01387	75.0
71.05018	0.4
72.01730	1.2
72.99313	3.2
73.02956	12.3
75.00886	1.2
79.05544	0.6
81.03466	0.5
83.01398	4.8
83.05054	1.2
84.02171	0.5
85.02959	25.0
86.03304	0.4
87.00888	3.0
87.04536	0.3
88.04041	1.3
89.02454	34.5
90.02784	0.3
93.03479	0.3
95.01393	4.1
95.05052	2.0
96.00957	0.3
97.02960	5.1
97.03535	0.3
97.06589	0.5
98.19883	0.6
99.00889	5.7
99.04537	0.7
101.02457	34.7
102.02839	0.8
105.07098	1.3
107.05048	0.8
108.05829	2.8
109.02962	1.4
109.06628	1.7
111.00906	0.7
111.04557	1.1
111.08191	0.6
113.02470	28.6
113.06102	3.6
114.02816	0.9
115.00411	0.9
115.04057	0.5
119.03525	11.2
119.04995	0.5
120.01300	0.6
121.06628	0.9
122.03747	1.9
123.04553	0.5
123.08189	4.7
124.05379	0.5
125.02412	1.3
125.06104	2.8
127.27158	0.3
128.03555	0.5
129.01158	0.3
129.01935	1.4
129.10326	0.6
130.08820	0.5
131.03506	1.4
133.01495	0.9
134.03819	0.4
135.03008	0.3
135.04568	0.9
135.08202	0.9
136.05338	4.3
137.06171	1.5
137.09781	0.5
138.06892	21.6
139.04060	0.4
139.07692	11.1
139.51631	0.3
140.08060	0.4
141.05576	0.4
143.03535	3.2
147.08220	0.6
149.04655	0.6
149.06133	1.3
151.00439	0.4
151.07675	23.1
152.04890	2.7
152.08464	42.5
153.09238	100.0
154.09592	5.4
159.03026	4.6
161.04588	22.0
161.09738	0.5
162.04942	0.7
163.11310	3.6
164.11630	0.3
165.09241	2.1
167.07140	2.1
175.07674	0.3
178.99887	0.4
179.03941	0.4
179.05617	2.8
179.10895	0.3
187.11378	0.9
189.09248	1.1
190.10004	2.0
191.02000	0.5
203.10780	0.3
205.03592	1.0
205.12355	32.2
206.12686	2.5
223.04620	1.2
223.13403	19.3
224.13800	1.9
229.12404	0.4
231.03990	0.5
232.42566	0.3
233.10435	0.4
256.00647	0.3
266.85974	0.3
267.12454	0.5
271.02444	1.4
289.58527	0.3
299.02020	0.8
300.02692	2.4
301.03360	1.6
304.06937	10.7
304.57068	3.3
385.18848	8.4
385.24573	1.6
386.18930	1.4
386.24417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
50.20174	0.4
57.03452	1.8
59.01378	79.4
60.01706	0.8
60.99313	0.5
61.98845	0.6
65.26144	0.4
70.24813	2.4
71.01385	2.2
71.05027	1.1
72.99326	1.4
75.00875	21.4
83.05025	0.6
84.53791	0.4
85.02972	1.5
87.00891	2.0
89.02457	4.6
98.19942	0.4
98.85382	0.4
106.05782	0.4
111.82623	0.4
116.74960	0.5
117.01959	2.0
120.05824	0.4
135.03021	100.0
136.03345	2.1
142.16249	0.5
156.02473	0.4
161.09755	0.5
161.13383	2.4
163.11313	1.0
187.11322	0.6
205.12424	1.0
207.10303	1.4
223.13397	44.9
224.13693	2.9
256.71643	0.5
267.12366	21.4
268.12711	1.6
300.72354	0.4
385.15042	53.0
386.15457	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	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03452	15.5
59.01380	8.1
60.52036	0.6
68.99839	0.8
70.06531	1.3
70.06941	2.3
70.24313	0.5
71.01376	5.9
72.99316	2.6
73.02953	1.6
75.00874	2.2
83.01388	3.8
83.17744	0.6
84.02179	1.8
85.02958	100.0
86.03275	1.8
87.00877	2.1
89.02459	1.1
99.70842	0.6
101.02461	3.2
103.00408	1.2
111.00897	12.3
115.00369	1.8
129.01964	11.1
133.01453	3.8
134.03761	3.3
135.04582	3.1
147.03024	9.0
149.06111	0.7
161.04610	0.7
163.04085	0.7
173.00861	0.9
179.03505	1.2
187.02357	0.7
191.01991	27.1
192.02266	1.3
193.05115	1.6
205.03542	10.2
209.03035	21.7
223.04593	45.2
224.04947	1.4
385.07761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
54.34734	0.5
55.01865	0.9
56.24070	0.5
57.03445	2.0
59.01382	9.0
61.98822	3.5
71.01385	7.9
71.73275	0.8
72.99318	1.0
73.02951	1.0
75.00883	0.8
79.05541	1.1
83.01405	0.9
85.02958	14.4
87.00895	2.4
88.04042	1.1
88.98820	1.1
89.02428	2.6
91.05543	3.8
93.03481	2.0
96.00918	0.9
99.00902	0.7
101.02448	3.2
109.02979	1.1
111.00881	1.4
113.02483	2.1
113.03513	0.6
114.02020	0.6
114.33747	0.5
115.00390	2.8
119.03483	0.7
119.05063	1.5
120.01231	0.6
121.02964	6.3
129.01965	2.1
131.04697	1.6
133.01450	4.0
134.03773	2.2
135.03012	1.1
135.04544	14.7
137.02519	1.2
137.06123	1.5
141.05583	0.7
147.03020	1.6
149.02464	37.0
149.09862	0.6
150.02840	1.8
151.07637	0.7
152.01173	6.6
161.04634	0.9
162.06976	0.6
163.04019	5.6
163.07674	1.3
164.04814	31.2
165.01949	2.0
165.05188	1.7
167.03523	0.9
169.05095	2.6
179.03555	2.0
179.07147	11.4
180.04314	0.6
180.07863	1.4
181.05072	3.4
181.08716	2.4
191.01962	4.0
193.01433	19.5
193.05031	1.0
194.01721	1.0
205.03545	1.2
205.12276	0.7
208.03773	37.8
209.02908	1.5
209.04454	1.0
223.06161	100.0
224.06496	6.7
249.06389	0.7
265.07559	0.6
265.10635	0.6
267.07016	5.2
295.35590	0.5
299.01904	0.6
300.02814	1.2
304.79230	0.6
385.11072	3.0
385.15549	0.9
385.20023	1.6
385.24933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32773	1.4
54.07744	1.1
59.01380	100.0
61.98825	3.8
69.89096	8.9
71.01366	1.5
87.00878	2.9
98.19844	1.4
145.09814	2.1
275.43039	1.6
302.11652	1.4
347.25916	28.7
348.26248	4.9
365.27048	12.1
366.27423	1.4
383.28262	1.7
383.32635	4.9
384.33261	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	383.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.85589	0.7
61.98831	2.7
69.43300	1.6
69.43697	7.9
71.01389	1.2
98.20578	1.7
113.02440	0.8
132.34029	0.7
145.09911	1.2
383.28073	1.8
407.06390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03442	2.1
59.01379	16.4
61.98839	0.8
67.01905	1.2
71.01376	6.0
72.99316	2.1
73.02954	15.3
76.34323	0.6
78.95895	1.4
83.01392	3.7
85.02958	21.2
87.00885	29.0
89.02473	1.1
95.01364	0.6
98.19890	0.9
101.02449	1.7
111.00903	3.8
112.02406	0.5
112.98830	1.2
113.02455	8.4
115.00391	40.6
116.00767	1.4
129.01953	3.3
134.04721	0.7
139.00360	6.1
148.32321	0.6
154.99905	1.4
157.00157	1.6
157.01443	27.2
158.01747	0.8
161.02478	0.8
161.09782	0.7
163.11307	8.9
175.02519	7.0
177.02924	0.6
177.86278	0.6
181.12357	100.0
182.12697	6.6
193.12401	0.6
225.11328	33.8
226.11649	2.3
243.56963	1.1
265.56433	0.8
267.12387	1.7
276.74081	0.6
281.48334	0.7
323.10077	0.7
383.13483	83.4
384.13809	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	383.1713
Annotation	Artesunate
Peak:m/z	Relative Intensity
55.01884	3.6
57.03450	3.7
58.00590	2.6
58.03777	0.6
59.01382	43.1
59.82384	0.6
61.98515	1.0
61.98830	18.7
62.18181	0.6
68.99770	0.7
69.03454	1.0
69.95134	2.0
69.95570	2.2
71.01385	48.7
72.99326	2.7
73.02955	14.0
75.00885	7.2
78.95859	0.8
79.05501	0.6
83.01395	9.3
83.04997	0.9
83.81833	0.7
85.02962	18.9
86.00096	0.8
86.03313	0.7
87.00892	4.1
89.02454	11.3
95.01396	3.7
97.02993	1.1
99.00900	5.4
101.02455	35.4
102.02765	1.2
107.05013	1.3
113.02464	18.5
115.00374	2.1
119.03499	1.9
119.05058	1.0
121.06623	3.6
121.10240	2.6
123.04545	2.7
127.05171	0.8
128.03552	4.4
129.01962	3.7
130.08769	1.1
133.01434	3.2
133.10204	0.9
135.04591	1.4
136.07675	2.0
137.09741	44.2
138.10077	2.9
143.03529	1.8
147.08176	3.7
148.05319	0.7
149.09781	0.9
154.99939	0.8
159.03011	2.5
161.04564	4.7
161.09727	2.4
163.07631	2.3
163.11301	65.8
164.11632	4.6
173.09712	1.4
175.11313	1.1
179.10684	0.8
180.06654	1.3
187.07651	9.9
187.11217	1.6
188.08359	1.6
201.09212	1.0
203.10789	96.6
204.11133	8.5
219.05142	1.9
219.10266	0.7
221.11861	13.0
245.11630	0.9
249.21542	0.7
264.20303	0.8
268.06763	1.5
311.89862	0.7
323.10013	0.8
341.10556	0.7
365.11542	1.1
365.16080	23.2
366.16229	3.8
383.17136	100.0
384.12668	1.3
384.17465	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	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
59.01380	19.3
60.01720	1.6
64.91239	0.5
70.06561	2.0
70.06977	1.4
71.01385	9.6
72.99277	0.9
73.02959	1.8
75.00883	19.7
81.72911	0.5
83.01389	1.0
85.02953	3.2
87.00885	17.3
89.02457	4.3
94.34441	0.6
95.01408	0.6
98.02451	0.7
99.00904	1.2
101.02455	4.2
104.94718	0.5
107.90119	0.6
113.02466	2.5
115.00367	0.8
115.05547	5.9
116.05096	2.4
116.98398	0.5
117.02035	0.7
117.54634	0.5
119.03534	1.5
127.05172	0.8
130.06638	9.0
130.08821	0.6
132.04575	26.6
133.01436	0.7
133.04904	1.3
135.04524	5.1
144.04544	1.7
146.06187	0.6
149.93752	0.6
157.05380	0.9
158.06131	100.0
159.06476	6.3
161.02484	1.0
161.04535	0.9
170.81146	0.6
174.05649	3.1
176.07193	0.8
177.01955	1.0
179.03433	0.6
181.86095	0.5
202.05113	41.9
203.05437	3.1
220.06203	7.4
221.06541	0.7
221.11790	0.7
237.06174	8.5
246.67534	0.6
249.06161	11.0
262.07220	2.5
266.18240	0.5
267.09802	1.4
311.72684	0.7
325.25275	0.7
382.11462	69.9
383.11807	10.3
383.19269	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	382.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24798	0.2
58.02972	0.2
59.01375	0.4
61.98830	100.0
70.29581	0.6
70.30003	0.4
84.75269	0.2
91.05552	0.6
129.10359	3.4
143.63393	0.2
147.04530	1.2
154.08797	0.4
164.07169	2.9
171.11404	2.6
227.25533	0.2
233.16650	1.8
234.77171	0.2
299.93143	0.2
319.16626	10.6
320.16998	1.2
382.12112	0.2
403.74530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.6
60.01707	1.8
61.01793	2.9
61.98832	100.0
62.77777	0.9
71.01400	1.6
77.46893	0.9
78.35888	1.0
78.95904	1.4
96.96017	1.4
113.02472	1.1
146.96486	1.3
159.99445	1.1
234.37123	1.1
285.47833	1.0
297.77783	1.1
323.09647	1.7
360.55902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03442	2.1
59.01379	16.4
61.98839	0.8
67.01905	1.2
71.01376	6.0
72.99316	2.1
73.02954	15.3
76.34323	0.6
78.95895	1.4
83.01392	3.7
85.02958	21.2
87.00885	29.0
89.02473	1.1
95.01364	0.6
98.19890	0.9
101.02449	1.7
111.00903	3.8
112.02406	0.5
112.98830	1.2
113.02455	8.4
115.00391	40.6
116.00767	1.4
129.01953	3.3
134.04721	0.7
139.00360	6.1
148.32321	0.6
154.99905	1.4
157.00157	1.6
157.01443	27.2
158.01747	0.8
161.02478	0.8
161.09782	0.7
163.11307	8.9
175.02519	7.0
177.02924	0.6
177.86278	0.6
181.12357	100.0
182.12697	6.6
193.12401	0.6
225.11328	33.8
226.11649	2.3
243.56963	1.1
265.56433	0.8
267.12387	1.7
276.74081	0.6
281.48334	0.7
323.10077	0.7
383.13483	83.4
384.13809	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	1.0
61.98838	0.5
69.61790	2.6
71.01389	3.8
72.99309	0.6
73.02940	0.7
74.30469	0.3
75.00876	6.2
83.01393	0.9
85.02947	1.5
87.00883	5.7
89.02454	1.7
99.92605	0.6
100.92606	0.4
101.02448	2.2
102.02820	0.4
109.54282	0.3
111.00914	1.1
113.02473	1.3
115.00407	0.5
115.05568	2.5
115.92100	0.6
116.05093	1.3
116.92205	0.3
116.92842	1.8
117.01977	0.4
117.92044	0.5
117.92912	1.4
118.92632	1.9
118.93435	0.6
119.03522	0.6
121.32860	0.3
129.01990	0.3
130.06630	3.2
132.04570	9.3
133.01428	0.7
134.03738	1.3
144.04579	0.4
157.05392	0.6
158.06126	36.1
161.04605	0.5
174.05659	0.6
176.07317	0.3
177.01929	1.5
186.15520	0.3
190.98862	0.3
193.05145	0.7
196.90979	0.3
202.05112	13.7
213.84866	0.3
220.06110	3.0
237.06197	2.5
249.06149	3.4
262.07214	0.7
279.14575	0.4
279.82291	0.3
321.15552	0.4
380.97751	0.4
382.11435	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.2
55.57716	0.2
57.03448	2.6
58.00589	1.0
59.01378	23.0
60.01724	0.4
61.98836	0.3
62.32056	0.2
68.99822	0.3
69.03458	0.5
69.72859	0.7
69.73271	1.0
71.01385	30.6
72.01714	0.6
72.99319	1.4
73.02953	12.8
75.00880	0.7
81.03436	0.3
82.01853	0.2
83.00891	0.4
83.01393	8.5
84.22831	0.2
85.02959	16.9
85.06592	0.4
85.57484	0.2
85.64377	0.2
86.00128	1.2
86.03297	0.3
87.00876	1.7
87.08158	0.4
89.02460	4.6
95.01397	1.8
97.02946	1.2
99.00896	6.2
99.92560	0.3
101.02458	34.9
102.02807	0.7
103.04031	0.2
111.00918	1.1
113.02466	13.4
114.02790	0.3
117.91969	0.3
117.92900	0.3
118.92709	0.4
119.03539	0.3
125.02439	1.5
129.01961	1.0
130.85162	0.2
131.03526	0.7
131.04645	0.3
134.03714	0.2
143.03532	1.5
149.04617	0.4
157.08755	0.6
159.03001	2.6
161.04575	15.2
162.04938	0.6
201.29846	0.3
205.03508	0.7
249.13426	100.0
250.13759	7.0
269.40768	0.3
293.09097	0.3
293.12430	0.8
320.96783	0.2
381.17648	13.5
382.18274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1193
Annotation	Uncinoside A
Peak:m/z	Relative Intensity
53.00298	0.3
55.01886	1.2
55.36983	0.2
57.03449	2.3
58.00588	0.7
59.01380	20.9
60.01713	0.4
61.98832	0.5
65.00314	0.3
65.77165	0.3
67.01875	0.5
68.99811	1.5
69.03458	2.7
70.87930	0.5
71.01387	100.0
71.05040	0.5
72.01715	1.7
72.99311	1.3
73.02952	9.8
81.03472	2.4
82.00046	0.3
83.01392	11.5
83.65073	0.3
84.02186	0.5
85.02959	14.2
87.00888	1.4
87.04528	6.1
89.02455	6.7
89.06090	11.7
89.06646	0.4
95.01395	4.3
96.95992	0.3
97.02955	2.7
98.30901	0.3
99.00891	2.3
99.04547	0.7
101.02454	8.0
112.01694	2.4
113.02465	16.9
114.02795	0.5
121.02972	27.2
122.03310	1.1
125.02462	4.2
131.03560	0.4
131.07138	1.5
142.02661	0.4
143.03503	2.7
143.07144	0.6
155.07053	0.6
161.04550	2.9
165.01956	3.7
175.02446	0.3
185.08244	0.5
203.09331	1.6
206.04851	0.3
219.06697	0.7
233.10312	16.8
234.10616	1.3
236.23236	0.3
237.07681	6.7
289.50964	0.3
291.08801	1.6
297.52332	0.3
381.11908	53.4
382.12213	6.4
388.92258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71305	0.3
55.01881	1.3
56.59319	0.3
57.03454	0.5
58.00573	0.7
59.01381	8.0
67.01881	0.5
71.01386	10.6
71.51309	0.6
72.99316	0.9
73.02953	1.5
78.57394	0.4
83.01372	2.0
85.02956	3.9
85.50889	0.4
87.00887	20.1
87.07675	0.4
88.01218	0.4
97.59667	0.4
111.00902	1.2
112.98839	0.6
113.02472	1.4
115.00390	38.9
116.00733	0.6
129.01959	0.7
135.11826	5.1
136.96837	0.4
139.00378	2.4
154.99887	4.2
157.00270	0.3
157.01453	7.4
161.09789	0.7
175.02505	100.0
176.02834	4.1
179.10803	24.8
180.11151	1.8
187.82286	0.4
223.09769	5.0
256.76468	0.4
275.96164	0.4
280.52530	0.4
337.12952	0.7
376.33609	0.4
381.11917	10.7
382.12207	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	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
57.03438	2.4
59.01089	1.5
59.01381	30.2
61.64773	0.9
61.98832	10.3
66.73433	0.8
67.01876	1.8
69.75020	5.1
69.75446	1.7
71.01392	17.8
72.99306	3.5
73.02952	2.3
75.30709	0.9
75.92215	0.8
78.95909	2.1
81.82462	0.8
83.01399	13.0
85.02963	15.3
87.00887	40.8
87.01427	2.1
95.01404	1.0
96.96036	1.3
99.00893	1.5
104.76086	0.8
111.00900	8.1
111.04520	1.4
112.98792	2.7
113.02472	7.7
115.00389	66.9
116.00758	2.1
121.02948	1.1
127.00359	1.2
128.63419	0.8
129.01932	1.7
133.01524	0.9
133.10274	1.0
135.11807	14.1
139.00392	20.7
146.44127	0.9
154.99883	12.2
157.01445	51.6
158.01796	1.2
161.09694	3.1
175.02498	100.0
176.02827	4.4
177.09215	2.3
179.10789	67.9
180.11179	4.3
223.09781	16.9
224.10115	1.0
265.10660	1.7
337.12891	7.3
381.11887	60.6
382.12238	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	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.44286	0.3
57.03443	0.7
58.00614	0.3
59.01379	7.8
67.01907	0.2
71.01387	11.7
71.44178	0.5
72.99309	1.5
73.02946	1.5
83.01402	2.3
85.02963	2.7
87.00885	21.3
88.01220	0.3
94.64864	0.3
99.00899	0.4
101.02468	0.6
111.00890	2.5
111.04536	0.3
112.98805	0.5
113.02464	2.0
115.00390	43.1
115.95893	0.3
116.00727	1.1
127.00425	0.4
127.64011	0.2
129.01920	0.3
131.03497	0.3
133.10214	0.4
135.11812	2.8
139.00397	3.6
154.99913	2.1
157.01460	7.7
161.09772	0.9
167.06152	0.7
175.02505	100.0
176.02867	3.6
179.10800	12.5
180.11115	0.8
204.39063	0.3
209.07169	0.6
221.11768	0.3
223.09760	3.4
224.10028	0.3
310.15759	0.4
320.14093	0.7
354.53192	0.3
381.11911	13.6
382.12183	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	380.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01719	1.3
61.98827	1.5
69.18235	0.3
71.01396	0.5
71.65726	0.4
96.53641	0.3
115.00418	0.4
133.01450	1.7
135.04547	0.6
150.81142	0.3
152.99678	0.7
179.03635	0.4
210.50821	0.4
264.01328	0.4
320.25958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40590	0.4
59.01377	3.5
61.25836	0.4
61.98832	100.0
71.01384	1.7
71.73095	0.5
72.99329	0.4
77.27217	0.3
77.29398	0.3
79.95777	0.4
85.02937	0.6
89.02437	0.4
96.96037	0.9
99.92610	0.6
101.02487	0.6
107.41001	0.3
109.02935	0.4
113.02450	0.5
115.00413	1.4
116.92870	1.7
119.05013	0.4
123.04597	0.3
133.01457	2.9
134.01778	0.4
135.04556	1.3
137.02519	0.5
137.87300	0.3
153.05658	0.7
154.06256	0.5
165.01648	0.3
378.02866	0.5
378.14514	0.5
379.07895	0.5
379.16336	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	379.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01712	1.2
61.98842	0.8
70.63915	0.6
71.01396	0.6
73.02956	0.4
85.02964	0.2
96.96030	0.2
101.02490	1.2
115.00412	0.2
126.38828	0.2
133.01471	0.6
219.86510	0.1
243.78458	0.1
253.84344	0.2
264.01303	0.2
304.69803	0.1
319.21243	2.0
380.05371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1563
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
58.00562	0.8
59.01382	20.1
61.98832	3.1
69.95259	2.4
71.01389	30.6
71.05023	5.5
72.99289	0.7
73.02938	0.9
73.04079	0.6
78.95903	1.2
83.01408	0.6
85.02958	3.1
87.00864	0.8
88.04051	5.0
89.02455	8.1
95.01369	1.0
96.96922	0.6
99.00883	0.5
99.04521	2.0
101.02461	7.0
110.07206	0.5
113.02470	5.0
115.00353	1.0
116.03591	1.0
116.07156	1.0
117.92899	0.5
119.03506	3.6
120.60939	0.4
125.02498	0.4
128.03569	1.2
128.07214	2.3
129.05579	0.8
131.01746	0.6
133.01425	2.1
135.04486	0.7
144.04121	0.4
146.08250	55.7
147.08612	2.1
149.04535	0.5
154.06209	0.7
159.02914	0.5
161.04559	1.9
179.03476	0.8
200.09264	1.0
218.10408	1.0
229.56717	0.5
240.09842	0.5
263.11331	0.8
306.55209	0.4
308.13519	5.3
362.14642	1.8
380.15616	100.0
381.16028	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	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03445	1.3
58.00597	1.2
59.01380	62.6
60.01717	1.0
61.98832	4.1
69.03465	1.1
71.01385	36.7
71.08924	0.9
72.01749	1.0
72.99329	1.5
73.02950	30.0
75.00873	0.5
81.03465	0.4
83.01394	7.1
85.02959	7.5
85.03448	0.6
85.21678	0.4
87.00885	3.0
89.02454	14.1
90.02773	0.4
90.83835	0.3
93.03471	1.0
95.01396	1.5
97.02975	0.8
97.59403	0.3
99.00901	1.2
101.02453	26.1
102.02780	1.0
109.02991	1.0
113.02459	8.7
115.00351	3.0
119.03524	4.9
119.05030	2.1
123.90602	0.4
125.02488	1.3
128.03606	0.4
129.01981	0.4
130.08771	0.6
131.03522	1.5
131.04626	0.5
133.01454	3.0
134.03683	0.5
135.04562	2.1
137.09674	0.7
139.11302	0.6
143.03516	1.9
149.02499	0.5
155.03517	0.7
155.10788	31.0
156.11061	1.8
161.04660	2.1
163.04036	0.8
164.07204	0.9
165.07535	0.4
172.05348	0.8
173.05946	0.4
173.11835	5.7
174.12071	0.4
179.03639	1.1
183.10355	1.0
184.11400	0.4
192.34956	0.4
198.51456	0.5
215.12848	0.4
243.12376	1.6
259.11954	0.4
317.16074	7.8
317.19803	0.5
318.16541	0.7
335.17120	35.8
336.17554	3.0
341.11139	1.3
377.18176	100.0
377.68060	0.5
378.18555	12.0
378.22784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03447	1.0
58.00600	1.0
59.01383	44.6
60.01718	0.5
61.98835	4.5
69.03455	0.3
71.01389	24.2
71.05030	0.3
71.73302	0.5
72.01748	0.5
72.99319	1.2
73.02953	13.6
74.03314	0.3
75.00912	0.4
83.01396	3.6
85.02966	4.4
87.00877	1.6
87.04499	0.3
87.82271	0.3
88.98804	1.4
89.02460	11.1
95.01411	1.3
97.02966	0.4
99.00903	1.1
101.02460	16.8
101.26083	0.3
102.02797	0.4
113.02470	6.7
113.09784	0.3
115.00401	1.1
119.03535	3.1
119.05029	1.4
125.02472	0.5
131.03513	0.5
133.01460	0.9
135.04567	0.8
143.03522	0.7
149.09781	0.3
155.03499	0.5
155.10806	15.5
156.11119	1.1
161.04645	0.8
163.04053	0.6
164.07272	0.3
173.11852	8.3
174.12152	0.6
179.03479	0.5
179.05664	0.4
187.13260	0.3
215.03462	0.3
227.12897	0.3
317.16037	6.9
318.16391	0.6
322.18753	0.3
335.17120	37.0
336.17419	3.6
341.11090	0.9
377.18195	100.0
378.18555	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	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
55.96225	0.6
57.03445	2.2
58.00600	2.9
59.01382	94.7
60.01713	1.4
61.98839	3.5
69.03462	0.8
71.01388	65.2
71.73637	0.6
71.74261	1.0
72.01734	2.4
72.98956	0.8
72.99325	3.2
73.02953	47.2
74.91023	0.6
75.00888	1.2
79.53724	0.6
83.01400	14.3
85.02969	13.0
87.00892	3.6
89.02457	20.1
93.03469	1.6
95.01421	2.9
96.96009	1.2
97.02974	1.4
99.00890	2.4
101.02460	40.5
102.02790	0.9
113.02473	13.4
115.00382	6.3
119.03531	7.4
119.05035	5.9
120.05361	1.7
125.02473	1.5
127.11330	1.1
130.08783	0.9
131.03528	1.5
133.01472	4.6
135.04541	2.0
143.03520	1.7
148.05368	1.0
149.04634	1.6
150.03270	0.8
152.99695	1.1
155.10814	30.9
156.11150	1.3
161.04611	4.9
163.03970	1.5
173.11852	13.1
191.02058	2.2
260.07047	1.0
260.57025	3.1
269.11926	0.9
317.16086	15.1
317.19788	0.9
318.16315	0.9
335.17111	60.8
336.17505	5.6
341.11508	2.1
357.09705	1.4
358.09964	1.3
369.09167	0.9
377.18204	100.0
378.18533	12.6
378.23068	1.1
397.01508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59671	0.9
51.07062	1.0
55.01866	1.2
57.03470	1.2
58.00593	0.9
59.01379	88.5
59.09650	0.8
61.98816	2.3
64.22624	1.1
69.03463	1.1
69.95071	6.3
71.01389	12.1
71.05021	1.4
72.99305	2.0
73.02953	41.2
75.00862	3.7
83.01399	1.2
83.05040	2.7
85.02965	3.2
87.00880	1.9
89.02446	3.3
95.05029	1.4
96.96014	5.0
97.06599	6.3
98.20518	1.6
99.00858	1.2
99.04527	0.9
99.92593	3.7
101.02451	4.0
107.05045	3.3
109.06607	0.9
111.08175	2.7
113.02458	2.7
114.93443	1.3
115.00371	4.3
116.00719	1.2
119.05019	2.6
123.08183	10.1
124.08566	1.3
125.06103	21.6
133.01447	9.9
134.01802	0.9
135.03026	12.5
135.04564	4.2
141.09250	6.7
159.63028	0.9
163.04021	2.8
167.07150	11.7
179.03432	1.0
181.08740	2.0
185.08206	100.0
186.08577	5.4
194.50383	1.1
197.11804	9.8
198.93347	1.3
199.09810	8.1
215.12820	2.8
217.05055	4.4
241.10863	1.3
243.98260	2.1
244.98930	1.6
259.11853	92.5
260.12204	5.5
377.14505	75.4
377.21603	5.4
378.14612	6.8
390.94891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31827	2.4
59.01380	31.7
59.22201	2.6
59.82557	2.5
68.89816	2.9
70.16491	14.8
70.82006	2.3
71.01386	26.3
72.99293	3.4
74.78227	2.9
76.43444	3.4
78.95898	6.4
86.73051	2.6
89.02449	28.9
96.96004	3.2
101.02449	14.9
113.02441	6.9
115.00394	6.0
119.03501	9.8
132.89754	2.9
135.04529	11.2
143.03441	3.1
172.02669	3.3
175.02397	4.7
179.05634	11.9
215.03308	20.1
341.10922	100.0
342.11261	7.8
377.08569	71.1
377.12839	2.6
378.08829	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	377.1427
Annotation	Go 6976
Peak:m/z	Relative Intensity
55.44847	0.2
59.01377	1.4
61.98834	2.2
64.39749	0.3
69.46465	0.2
71.01391	0.8
71.16741	0.5
79.95745	0.3
85.02945	0.3
89.02457	0.5
96.96013	1.0
99.92596	82.8
100.90451	0.5
100.92607	4.7
100.93391	1.8
115.92094	42.1
116.92873	100.0
117.92893	5.6
127.95756	0.6
131.91599	0.6
132.92386	0.4
135.04498	0.5
176.97722	0.3
201.01784	0.3
277.21631	1.4
282.05637	0.7
290.06250	0.6
299.05869	0.8
308.07184	2.0
309.07571	0.6
315.14136	0.8
322.09000	0.3
333.15295	1.0
333.25266	0.3
359.13144	1.5
373.11121	3.4
374.11292	0.6
377.14267	54.3
378.14465	10.1
387.08920	0.5
391.12173	5.6
392.12415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66610	0.6
58.91556	0.7
59.01380	70.9
60.32864	0.8
61.98825	5.8
69.03471	0.9
69.51468	0.7
71.01389	9.8
71.04996	0.7
71.71831	1.0
71.72179	1.0
72.99329	1.3
73.02952	36.2
75.00893	3.9
82.03057	0.8
83.01391	0.8
83.05035	2.6
85.02976	2.0
85.06657	0.8
87.00891	1.0
89.02455	1.4
95.05074	1.0
96.96017	6.0
97.06618	6.8
98.40431	0.6
99.92629	2.5
101.02467	1.9
107.05024	4.1
110.03748	0.8
111.08207	1.4
113.02460	1.4
114.93432	1.5
115.00392	3.1
115.92069	0.8
117.01908	1.0
119.05038	1.9
123.08187	10.3
125.06110	21.2
126.06416	1.0
132.96222	0.7
133.01442	7.6
135.03021	11.6
135.04547	5.9
137.09779	1.6
137.54161	0.7
141.05672	1.1
141.09219	6.9
143.03645	0.7
163.03983	1.8
167.07170	11.3
168.07433	0.7
178.38062	0.8
179.07266	0.7
181.08746	2.3
185.08208	100.0
186.08548	5.6
186.99541	0.7
197.11844	8.4
199.09770	9.5
215.03473	1.3
215.09126	1.1
215.12926	1.6
217.05051	3.0
241.10808	1.3
243.03108	1.1
255.03111	1.9
259.11850	94.7
260.12173	7.6
261.04065	0.8
271.02441	2.7
300.02603	2.6
301.03323	1.1
304.06903	1.2
304.57254	1.1
350.89304	0.8
376.59229	1.3
377.14487	76.8
377.22147	2.9
377.60001	1.4
378.14923	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	376.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20351	0.3
57.79649	0.3
58.02975	12.7
59.01380	6.4
59.03315	0.4
61.98833	0.6
67.92774	0.3
70.11986	0.3
71.01392	1.5
71.02510	0.5
74.02479	61.7
75.02820	0.7
82.06629	1.4
83.02502	0.3
84.00926	0.5
85.02962	0.3
85.04077	3.6
91.05559	0.5
100.64215	0.3
101.76563	0.3
110.06039	0.3
112.02811	0.6
112.07690	2.9
113.03596	2.0
115.00412	0.5
116.05074	16.4
117.05428	0.7
117.07117	0.4
119.05023	0.5
125.03584	1.3
126.09290	0.4
129.10362	70.3
130.06677	0.6
130.08777	0.6
130.10727	2.7
130.49568	0.4
133.01436	0.6
135.04530	0.4
143.11977	0.5
147.04520	0.4
151.33687	0.3
153.10352	1.9
154.08743	1.0
160.06369	0.7
160.07700	13.2
161.08066	0.9
163.03902	0.3
164.07222	0.7
171.11406	30.4
172.09851	0.6
172.11740	1.6
174.05626	2.2
186.05594	1.6
187.08768	0.4
198.12822	1.2
204.06660	2.6
214.62369	0.3
216.13759	0.4
221.09334	5.4
222.09314	0.4
229.29950	0.4
241.14362	0.6
242.11865	32.1
243.12175	3.0
255.14940	0.6
259.14578	0.5
290.18719	2.7
291.19171	0.5
301.15594	9.0
302.15869	0.9
332.19772	3.9
333.19852	0.6
334.17798	0.8
341.10916	0.4
376.18781	100.0
376.27866	3.5
377.08609	0.8
377.19104	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67660	1.0
59.01382	20.6
61.98833	100.0
70.99419	2.6
80.28224	0.9
81.27974	1.0
96.96023	8.1
99.48692	0.9
111.25432	0.9
144.39087	0.9
199.59746	1.0
211.53850	1.1
242.31786	1.0
348.76038	1.0
375.18399	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42917	1.7
59.01381	50.6
61.98831	11.5
61.99096	1.9
69.54210	8.1
69.54640	7.9
71.01374	2.4
95.05036	3.0
98.72938	2.1
109.10083	1.5
110.27431	2.0
121.10252	30.7
141.63527	1.8
157.03987	1.8
171.10280	69.0
172.10641	2.7
185.11790	4.0
189.93042	3.4
191.06920	1.8
207.10118	4.1
231.21152	5.9
275.20154	100.0
276.20508	10.2
278.11377	10.4
293.21216	97.4
293.23816	1.8
294.21518	9.3
315.19446	44.7
316.19742	4.2
329.17194	3.0
359.18463	10.8
375.21472	49.0
375.26599	2.7
375.28430	2.7
376.21704	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	375.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22328	0.2
57.03450	1.3
58.00611	0.3
59.01378	1.8
61.98811	0.9
69.03445	0.4
69.70777	0.4
69.71198	0.9
71.01382	0.5
72.49368	0.2
73.02939	0.5
79.70699	0.1
83.05047	0.2
85.02951	0.2
87.04522	0.7
97.06602	0.5
109.06603	0.5
111.08247	0.2
113.09727	0.4
115.00330	0.2
120.30077	0.2
123.08172	1.1
125.09742	0.4
126.47373	0.2
133.01395	0.2
135.08173	0.4
137.09726	0.2
138.06874	0.2
139.11296	1.0
141.12862	0.5
143.10840	0.2
149.02428	0.2
153.09196	0.6
157.12315	1.3
169.12375	1.3
171.10370	0.3
171.13959	0.2
185.11867	2.4
214.11967	0.3
215.12903	1.5
228.01373	0.2
251.20203	0.4
287.22433	0.3
293.21030	0.3
311.22354	0.5
327.21735	0.4
327.25436	0.6
329.23318	2.7
330.23672	0.3
339.25354	0.7
355.24548	0.3
357.26517	3.4
358.26920	0.4
373.25998	2.9
374.26163	0.4
375.27515	100.0
376.27838	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	373.2598
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.26452	0.2
57.03445	2.0
59.01377	1.5
61.98837	1.4
69.03449	0.6
69.70250	1.1
71.01372	0.4
71.05018	0.2
73.02950	0.5
74.48166	0.1
83.05026	0.4
85.02988	0.2
87.04530	0.2
93.00520	0.2
97.06590	0.4
98.19825	0.2
103.57425	0.2
111.08155	0.8
113.06075	0.3
113.09792	0.2
121.03001	0.3
123.08176	1.0
125.09747	2.6
127.11314	2.3
130.08762	0.2
135.04475	0.2
137.09724	1.9
139.07619	0.2
141.09218	0.6
143.10786	0.6
153.09258	0.6
153.12875	0.7
155.10823	1.8
171.10289	10.7
172.10641	0.6
185.11830	0.2
200.10553	0.2
201.15004	0.6
217.14471	0.3
229.14372	0.9
230.15234	0.7
327.21780	0.7
339.21130	0.2
355.24948	1.6
356.25305	0.2
371.24289	1.1
373.25955	100.0
374.26309	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Dercitamide
Peak:m/z	Relative Intensity
52.95075	1.0
55.01873	2.0
57.03459	1.1
59.01376	6.8
66.50584	0.9
67.01888	0.9
69.39305	4.1
69.39738	5.9
71.01389	5.0
72.99310	1.4
73.02953	79.6
74.03278	1.1
79.05564	2.0
83.01399	5.7
85.02948	5.4
86.27090	0.8
87.00885	19.3
95.05051	2.5
97.06601	82.7
98.06944	3.5
98.19820	2.0
101.02412	0.8
108.02177	0.9
109.02975	2.6
110.56423	0.9
111.00883	8.9
111.04592	0.9
113.02477	6.1
115.00391	34.3
116.00726	1.6
122.03730	2.2
123.04513	1.3
124.01707	1.9
130.08783	1.3
132.35719	1.0
133.02962	3.1
134.03763	1.1
135.04521	5.9
138.25264	0.8
139.00400	25.5
141.05605	51.6
142.05937	1.7
147.04532	2.2
148.05371	2.3
153.09239	18.8
154.09554	1.0
154.99805	1.6
157.00316	1.5
157.01447	32.6
158.01785	1.2
161.06082	2.0
171.10297	8.1
172.10652	1.0
175.02542	8.8
175.03995	1.3
179.03531	4.9
197.08253	3.7
215.09245	43.7
216.09645	2.6
236.26997	0.8
242.05780	2.5
257.10324	8.0
269.08023	0.9
270.09009	1.2
285.11319	13.8
286.11688	2.0
299.07764	6.4
311.11407	1.4
314.68686	1.1
329.10303	1.0
373.11426	100.0
374.11792	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	373.1142
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.63211	0.6
55.01873	0.6
55.79939	0.6
57.03444	1.2
58.02965	1.1
59.01381	16.6
61.98835	8.4
69.03463	0.7
70.02984	1.2
70.86403	0.9
70.86749	1.4
71.01389	10.3
72.99305	1.2
73.02953	3.2
73.04080	3.4
74.02477	4.8
75.00890	1.6
83.01394	2.3
84.04546	1.3
85.02950	4.7
87.00886	4.1
87.63400	0.8
88.04060	1.0
89.02448	5.7
94.06646	3.0
94.96247	0.7
95.01432	1.0
96.00941	1.6
96.04524	1.1
96.95993	0.6
97.02989	0.8
97.06597	0.9
101.02461	4.4
102.05635	2.1
104.03561	0.9
106.06647	1.2
108.02153	0.8
109.02968	4.8
111.00903	1.9
113.02480	3.3
113.03560	1.0
114.01984	1.1
115.00378	2.3
115.05150	2.2
119.03512	1.4
119.05007	0.8
120.17702	0.6
121.16650	0.6
122.03772	1.7
123.00900	1.9
123.04539	2.0
124.01555	1.2
124.02307	2.9
124.07695	3.8
125.02499	1.3
125.06082	0.8
128.03546	5.0
129.01949	0.9
129.03952	0.9
129.10368	1.9
130.08762	2.1
133.01422	1.4
133.02997	2.6
134.03786	1.0
134.06116	0.7
135.04530	6.0
136.01707	0.9
137.02455	4.9
138.03238	4.5
138.05695	0.9
139.00432	4.0
139.04050	4.7
139.08803	0.7
141.05602	0.8
143.11942	1.0
146.04642	1.0
147.04688	0.7
148.05330	0.7
149.02463	0.9
149.06155	1.0
151.04030	3.3
152.04820	4.0
152.07108	0.7
153.00824	0.6
153.01967	2.7
153.05614	5.8
154.02693	2.7
155.04651	0.9
157.01425	4.0
161.02496	0.8
161.06117	1.5
163.00430	1.2
165.00603	0.9
165.01942	5.4
166.02701	0.8
167.01784	1.4
167.07120	1.3
168.06676	11.0
178.02718	1.4
179.03502	5.9
180.00664	22.7
180.04175	3.2
181.01419	7.1
181.05064	1.0
182.02255	3.3
182.08232	1.8
183.03050	1.0
193.05077	2.0
194.02216	1.6
195.03012	44.6
196.03745	8.8
197.04562	3.6
200.14090	1.3
209.04654	1.0
210.07693	1.0
211.06145	17.3
212.05797	1.5
225.04018	2.3
225.13591	0.7
226.16583	0.8
242.05823	1.5
242.18718	0.9
243.14677	1.7
243.17030	1.1
244.17519	1.7
257.08139	1.0
258.13535	0.9
263.05646	1.8
270.08893	1.6
285.11301	11.0
285.14261	0.7
285.94473	0.6
286.11664	1.5
329.10733	1.4
343.06851	2.0
343.16187	2.3
343.19940	1.9
358.08969	8.1
373.11456	100.0
373.16058	4.4
373.21573	8.2
374.07266	2.8
374.11697	13.3
374.16058	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90502	0.6
59.01377	4.4
60.59409	0.6
61.98832	100.0
67.75079	0.6
71.20025	1.6
85.02993	0.8
96.96053	1.1
97.64779	0.6
99.92622	0.8
115.14603	0.6
124.87587	0.7
136.08514	0.7
151.97556	0.7
209.03098	1.0
239.96811	0.7
270.64148	0.7
283.43085	0.6
346.85886	0.7
397.18509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2141
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
53.69810	0.5
55.01875	6.2
56.02214	1.6
57.03440	1.0
58.02971	1.0
59.01376	10.4
60.01688	0.6
61.98837	2.8
66.03492	1.6
67.01888	1.2
68.05067	1.8
70.02982	0.9
71.01385	6.1
71.72585	0.9
72.99321	0.7
73.02952	26.5
73.04077	1.5
74.02488	1.1
82.03000	4.2
82.06626	5.5
83.01398	4.0
84.04544	1.6
84.08199	1.5
85.02972	2.5
87.00883	6.5
89.02466	0.8
95.01418	0.7
95.03794	1.3
95.05070	0.8
96.04536	0.7
97.06604	25.7
98.02454	1.0
100.04052	3.9
101.02457	1.5
101.07211	7.8
102.05608	1.2
108.02191	1.7
109.02975	3.8
109.04102	2.4
111.00885	2.5
111.05675	1.6
112.04065	1.8
113.02455	3.5
113.03643	0.7
115.00390	13.7
117.01957	0.8
120.01281	2.2
121.06594	0.8
122.03777	4.7
123.03282	2.1
123.04552	2.2
124.01707	3.2
126.09274	2.0
127.00357	0.8
127.05156	9.5
128.03560	7.3
129.10364	2.2
130.08762	100.0
131.09116	3.9
133.01468	0.7
133.02982	5.1
134.03763	2.0
135.04541	8.5
136.11374	3.4
137.02438	1.0
139.00391	5.7
139.08780	1.0
140.07204	10.7
141.05605	15.4
141.07304	0.7
141.10324	2.0
145.02948	0.8
145.06229	6.2
145.52402	0.7
146.04637	2.1
146.06415	0.6
147.04523	2.4
148.05319	3.7
149.06058	1.1
152.10828	2.0
153.09238	6.5
154.02774	1.2
154.12312	0.9
154.99884	15.2
155.01060	1.1
156.00224	8.4
157.00363	0.9
157.01465	11.2
161.04726	0.6
161.06036	3.0
163.03975	0.8
167.11905	1.7
168.09023	0.7
169.09912	0.8
169.13542	1.7
171.10272	2.7
171.15063	1.3
175.02541	3.0
179.03499	6.9
179.11884	3.1
180.04387	0.6
180.10326	45.5
181.10645	2.1
182.15532	2.9
187.04166	0.8
191.10928	0.7
193.05156	1.1
195.11528	0.8
197.08200	1.3
197.12959	14.8
198.13312	1.0
199.18187	16.0
200.18440	1.8
205.05171	0.6
207.06607	0.7
209.16591	1.6
215.09248	15.6
222.12457	0.8
223.10861	16.0
223.12978	0.9
224.09276	5.6
224.11205	1.0
225.16161	1.5
240.09787	0.7
240.13582	1.5
241.05017	1.1
241.11931	11.5
242.05858	3.0
242.12465	1.5
242.15114	1.0
243.17110	7.0
255.06525	0.7
257.08023	1.5
257.10342	1.9
269.08246	1.2
270.08893	2.9
284.23441	2.5
285.11319	25.3
292.20508	0.8
299.07697	2.4
310.21448	7.0
328.17950	1.1
329.10345	2.4
354.20340	38.5
355.20685	4.6
372.21393	93.3
373.11569	32.3
373.21793	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
56.91655	0.6
57.03448	8.7
59.01382	7.9
60.78830	0.5
61.96527	0.5
61.98833	0.6
68.99809	0.9
69.63662	4.0
71.01388	10.8
72.99320	2.2
73.02943	1.7
75.00874	2.1
79.39964	0.5
83.01395	1.7
84.02193	1.6
85.02961	68.3
86.03288	1.5
87.00883	6.2
89.02445	4.6
101.02471	0.8
103.00384	2.1
111.00888	1.7
115.00377	1.4
122.03761	1.1
129.01958	5.3
133.01445	4.9
134.03732	0.6
135.04532	3.0
136.01657	1.0
136.29417	0.5
147.02986	4.3
149.06070	1.0
151.04045	1.4
173.00917	0.7
175.02434	0.7
179.03572	1.0
179.05711	0.8
179.07185	1.0
191.01985	19.8
194.34354	0.6
195.05064	1.8
209.03035	100.0
210.03433	3.7
235.06142	2.2
246.03403	0.6
371.06000	0.8
371.09912	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	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
56.32561	0.5
57.03181	0.6
57.03450	7.9
59.01380	6.7
62.51618	0.5
65.91316	0.5
68.99799	0.8
71.01383	9.8
71.45338	0.8
72.99313	2.1
75.00874	1.2
83.01407	1.3
83.60789	0.5
84.02184	2.3
85.02959	62.4
86.03287	1.5
87.00879	2.4
89.02443	4.8
98.20108	0.8
99.48986	0.5
103.00367	1.3
111.00893	1.4
115.00430	1.2
129.01974	4.5
133.01457	5.9
135.04568	2.8
147.03050	3.7
162.53264	0.5
162.73253	0.5
179.03517	1.4
191.01993	15.7
192.02374	0.8
209.03035	100.0
210.03375	5.2
235.06065	0.8
265.07162	1.1
371.05685	1.0
371.09915	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25378	1.1
55.01870	3.1
56.02608	1.0
57.03178	1.3
57.03450	17.8
59.01381	7.3
67.01894	1.1
68.99841	1.1
70.08114	2.1
70.08532	4.2
71.01385	11.3
72.99298	2.8
73.02962	3.5
75.00874	3.7
83.01398	10.2
84.02181	2.4
85.02958	88.8
86.03313	1.6
87.00885	2.7
89.02442	1.3
101.02458	6.4
103.04021	1.2
111.00143	2.1
111.00899	34.0
115.00379	3.3
119.05050	7.4
129.01964	31.9
133.01456	3.8
135.04477	1.6
147.03018	1.2
151.04037	1.4
154.99773	1.1
161.04570	2.9
163.04001	6.0
187.02510	1.3
189.00456	1.5
205.03534	33.4
206.03836	1.2
223.04590	100.0
224.04837	5.3
310.57239	1.0
369.12006	1.5
393.85672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2645
Annotation	1-Naphthylacetylspermine
Peak:m/z	Relative Intensity
51.34681	0.3
57.03447	0.5
59.01387	1.9
61.98822	1.2
64.71893	0.3
70.79737	1.1
71.01376	0.8
71.05017	1.0
73.02951	0.9
77.14152	0.3
83.01376	0.4
85.02945	1.0
85.21560	0.3
96.65342	0.3
97.06557	0.4
110.63760	0.3
125.09740	0.9
127.00397	0.7
127.11302	0.7
129.01988	0.4
171.10300	0.5
181.16011	0.4
189.00452	0.6
223.04565	0.7
284.03299	0.4
289.25366	7.6
290.25711	0.8
296.06796	0.4
307.26456	7.4
308.26837	1.0
315.23453	0.4
323.25842	0.8
325.27478	20.5
326.27817	2.8
333.24344	6.9
334.24796	0.8
351.25433	8.9
352.25620	0.7
369.26480	100.0
370.22223	0.7
370.26819	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	371.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
57.03443	9.4
59.01378	8.0
61.98805	0.7
68.99831	0.8
70.78794	1.4
70.79188	1.5
71.01382	10.3
72.99312	1.7
73.02956	1.1
75.00880	2.5
75.13088	0.7
83.01382	1.2
84.02171	1.6
85.02960	74.1
86.03286	2.1
87.00888	8.8
89.02464	5.2
99.00819	0.8
101.02452	1.5
103.00384	1.4
111.00900	1.9
115.00391	1.7
118.09227	0.6
122.03815	0.9
129.01971	4.3
133.01443	6.1
135.04529	4.4
136.01625	1.0
147.03012	4.4
148.05460	0.7
149.06126	0.9
151.03992	1.9
161.02409	0.9
173.00987	1.1
175.02541	1.0
179.03525	2.0
191.01996	21.1
191.03441	0.8
192.02290	1.2
195.05109	2.2
209.03038	100.0
210.03354	4.2
210.41679	0.6
235.06117	2.0
269.00577	0.7
371.05945	0.8
371.09900	10.3
371.19122	1.1
372.09930	1.1
372.18378	0.8
382.38855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78579	0.6
59.01382	5.1
61.98832	100.0
70.24146	2.7
71.01378	1.1
71.31190	0.6
75.26558	0.6
78.73135	0.7
81.65913	0.7
96.96013	1.4
118.86379	0.7
139.65683	0.8
140.12334	0.7
151.12524	0.8
186.87466	0.7
220.69865	0.6
307.10474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48390	0.6
55.01870	3.5
55.26670	0.7
57.03447	16.2
57.05542	0.7
59.01378	9.5
60.28751	0.6
66.08715	0.7
68.06487	0.7
70.47265	0.7
70.47596	3.0
71.01392	7.6
72.99306	1.6
73.02945	2.5
73.71059	0.6
75.00883	2.0
83.01398	8.3
84.02180	1.9
85.02960	78.3
86.03294	2.6
87.00876	1.9
92.92573	0.7
99.00890	0.7
101.02457	7.6
102.05643	0.9
103.03980	0.9
107.06149	0.6
111.00900	31.4
115.00419	0.9
119.05042	7.4
121.85601	0.7
124.55870	0.6
128.03568	1.4
129.01958	28.5
130.02274	1.1
133.01357	0.8
147.03009	3.7
159.03020	0.8
161.04562	2.1
163.04016	4.8
175.02478	1.3
187.02544	2.2
205.01602	1.5
205.03545	31.0
206.03917	1.4
223.04596	100.0
224.04927	5.5
241.12085	0.8
265.82367	0.8
306.41052	0.7
369.08298	1.5
369.17575	0.9
370.16171	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	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03447	13.2
59.01380	8.0
61.98822	0.9
70.47466	1.3
70.47868	1.9
70.71606	0.8
71.01385	11.6
72.99305	2.0
73.02956	3.1
75.00884	3.6
83.01395	8.5
84.02164	1.6
85.02958	72.8
86.03279	1.7
87.00884	2.1
88.04044	0.8
89.02409	0.8
98.02489	0.8
99.00856	0.9
99.25304	0.8
101.02464	8.6
103.00394	1.0
111.00895	29.7
113.00848	0.7
115.00389	3.5
119.05047	7.5
127.05211	1.0
128.03575	5.7
129.01959	25.4
133.01480	3.9
135.04547	1.3
147.03003	2.3
147.04547	2.6
161.04581	2.0
163.04030	4.8
165.05550	2.9
175.02452	2.0
183.89113	0.7
187.02464	1.0
190.03406	0.8
205.01601	1.4
205.03546	28.5
206.03906	1.7
223.04597	100.0
224.04955	4.6
369.12274	1.5
369.16504	0.9
370.16025	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88472	0.5
55.01878	2.4
55.35275	0.6
57.03180	0.7
57.03448	10.9
59.01376	7.0
59.08228	0.5
61.98824	6.2
67.01875	0.8
68.99837	0.7
69.96644	2.5
70.18416	0.5
71.01387	10.6
72.99323	1.9
73.02943	2.6
75.00876	3.3
83.01402	6.8
84.02171	1.4
85.02958	66.9
86.03283	1.4
87.00902	1.3
88.04058	0.7
99.00900	0.9
101.02457	6.1
103.04008	1.1
111.00895	26.4
112.01263	0.8
115.00414	2.1
119.05037	5.5
120.05329	0.6
123.72285	0.6
129.01956	23.3
130.02313	0.9
133.01456	3.3
133.05191	0.6
143.03474	0.9
145.02939	0.7
147.03046	3.1
147.04181	0.6
154.99875	2.2
161.04581	1.8
161.97600	0.5
163.04008	4.2
187.02493	2.2
191.01955	1.0
205.03539	28.5
206.03859	1.2
223.04588	100.0
224.04955	4.7
281.19519	0.7
284.03006	0.7
370.23642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01609	0.2
55.01880	4.0
57.03450	6.9
57.52442	0.2
58.00584	1.0
58.03791	0.2
58.22615	0.2
59.01381	17.4
61.98833	1.3
67.01888	0.5
68.99821	0.5
69.03456	1.1
69.44971	1.3
69.45382	0.4
71.01386	100.0
72.01719	1.9
72.59030	0.2
72.99305	2.0
73.02952	15.2
75.00880	0.6
76.22730	0.2
81.03464	0.6
83.01398	8.1
83.05035	0.3
84.01740	0.3
84.02188	1.7
85.02959	49.6
86.03281	1.1
87.00880	2.6
89.02456	9.4
90.02803	0.2
90.83186	0.2
93.03491	0.2
95.01400	11.8
96.01725	0.4
96.96015	0.2
97.02966	1.6
97.06606	0.3
98.20589	0.3
99.00894	6.7
99.04549	0.3
101.02455	22.3
102.02798	0.6
105.07100	0.2
107.05047	0.7
109.03008	0.2
109.06590	0.2
111.00917	0.3
113.02466	62.8
114.02792	2.1
115.00388	1.7
115.04041	0.3
116.00732	0.1
116.55434	0.2
119.05036	0.6
120.01250	0.2
121.06604	0.4
123.08163	1.8
125.02459	0.9
125.09742	0.6
127.00407	0.2
129.01959	0.5
130.08772	0.6
131.03525	0.4
131.04958	0.2
133.01462	0.9
134.03725	0.2
135.04539	0.3
135.08170	1.1
136.08522	0.2
139.00410	0.8
139.07483	0.2
143.03522	1.0
145.01472	1.1
147.08179	2.5
148.08418	0.2
149.06061	0.3
149.09775	0.3
151.07651	0.5
153.09235	11.3
154.09607	0.7
161.04581	16.3
161.09732	0.5
162.04942	0.5
163.04117	0.2
163.11320	1.0
165.09259	0.8
171.08162	0.5
172.08859	0.2
175.02493	0.9
175.11301	0.5
177.09262	0.2
177.12854	0.6
179.10820	0.4
187.11290	3.0
188.08400	0.4
188.11691	0.4
189.09247	1.2
189.12827	0.3
190.10004	0.8
193.05043	0.3
203.10811	1.3
205.12341	26.5
206.12666	2.4
219.10258	0.3
223.13396	1.7
229.06108	0.4
348.65100	0.2
367.10382	0.2
367.17661	6.6
367.25580	0.4
368.13678	0.2
368.17844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01609	0.2
55.01880	4.0
57.03450	6.9
57.52442	0.2
58.00584	1.0
58.03791	0.2
58.22615	0.2
59.01381	17.4
61.98833	1.3
67.01888	0.5
68.99821	0.5
69.03456	1.1
69.44971	1.3
69.45382	0.4
71.01386	100.0
72.01719	1.9
72.59030	0.2
72.99305	2.0
73.02952	15.2
75.00880	0.6
76.22730	0.2
81.03464	0.6
83.01398	8.1
83.05035	0.3
84.01740	0.3
84.02188	1.7
85.02959	49.6
86.03281	1.1
87.00880	2.6
89.02456	9.4
90.02803	0.2
90.83186	0.2
93.03491	0.2
95.01400	11.8
96.01725	0.4
96.96015	0.2
97.02966	1.6
97.06606	0.3
98.20589	0.3
99.00894	6.7
99.04549	0.3
101.02455	22.3
102.02798	0.6
105.07100	0.2
107.05047	0.7
109.03008	0.2
109.06590	0.2
111.00917	0.3
113.02466	62.8
114.02792	2.1
115.00388	1.7
115.04041	0.3
116.00732	0.1
116.55434	0.2
119.05036	0.6
120.01250	0.2
121.06604	0.4
123.08163	1.8
125.02459	0.9
125.09742	0.6
127.00407	0.2
129.01959	0.5
130.08772	0.6
131.03525	0.4
131.04958	0.2
133.01462	0.9
134.03725	0.2
135.04539	0.3
135.08170	1.1
136.08522	0.2
139.00410	0.8
139.07483	0.2
143.03522	1.0
145.01472	1.1
147.08179	2.5
148.08418	0.2
149.06061	0.3
149.09775	0.3
151.07651	0.5
153.09235	11.3
154.09607	0.7
161.04581	16.3
161.09732	0.5
162.04942	0.5
163.04117	0.2
163.11320	1.0
165.09259	0.8
171.08162	0.5
172.08859	0.2
175.02493	0.9
175.11301	0.5
177.09262	0.2
177.12854	0.6
179.10820	0.4
187.11290	3.0
188.08400	0.4
188.11691	0.4
189.09247	1.2
189.12827	0.3
190.10004	0.8
193.05043	0.3
203.10811	1.3
205.12341	26.5
206.12666	2.4
219.10258	0.3
223.13396	1.7
229.06108	0.4
348.65100	0.2
367.10382	0.2
367.17661	6.6
367.25580	0.4
368.13678	0.2
368.17844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	1.4
63.35219	0.3
63.90683	0.3
69.85668	2.3
71.01382	3.9
71.57208	0.3
72.71323	0.3
73.02962	1.4
73.76219	0.3
83.01411	0.9
85.02964	2.6
89.02458	1.2
99.00889	0.8
101.02453	3.3
101.06069	0.3
110.12681	0.3
111.00904	1.3
113.02486	1.9
115.00423	0.4
119.05032	4.0
120.10085	0.3
120.89484	0.3
123.37553	0.3
133.01477	0.8
134.03851	0.6
159.03024	0.4
161.04588	1.8
161.05812	0.4
163.04031	2.9
166.39626	0.3
168.03085	0.3
185.13448	0.3
189.49870	0.3
191.02063	0.3
205.03656	0.5
235.11835	1.5
247.11902	0.9
261.11850	0.4
265.12915	7.9
265.15506	0.6
266.13278	0.7
268.64890	0.4
307.13910	3.0
367.14816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36938	0.2
52.60536	0.2
58.00620	0.3
59.01379	100.0
60.01718	1.2
61.98828	0.6
63.40189	0.2
69.63500	1.0
69.63932	1.4
71.01389	3.5
72.99319	0.3
73.02938	1.4
83.01402	0.7
85.02967	1.7
89.02431	1.9
101.02463	3.2
111.00908	0.6
113.02442	1.3
115.00388	0.5
119.03547	0.7
119.05042	2.2
133.01443	0.8
143.03522	0.3
161.04541	1.4
163.04059	1.6
205.14679	0.3
205.37737	0.3
247.11899	0.7
265.12906	5.9
266.13452	0.5
293.79376	0.3
307.14008	3.2
360.96164	0.4
367.10519	0.3
367.14871	0.5
367.19778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63554	2.9
58.02966	5.7
58.47153	2.8
59.01382	40.4
64.30025	3.1
70.62916	5.5
70.63274	8.3
71.01389	31.9
73.01183	37.4
73.02949	5.3
85.02965	8.8
87.00884	41.6
88.04064	4.4
97.58681	3.0
99.00883	3.3
101.02419	3.5
102.98627	3.9
104.91029	3.0
111.00915	2.9
111.40711	3.1
115.00394	50.4
117.00188	4.2
118.03378	4.7
129.01942	11.1
133.01465	3.4
143.01404	3.0
149.65845	3.4
158.44217	3.2
158.45584	4.0
159.03273	4.3
160.04051	18.4
161.04431	22.4
175.02499	100.0
176.02899	4.7
187.10854	5.1
191.01955	10.6
249.06036	8.4
283.04944	11.2
323.09839	6.5
347.48721	3.4
367.07785	5.3
368.21915	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	366.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
57.03446	1.1
58.00580	0.9
59.01382	56.6
61.98812	1.1
67.64555	0.7
69.56541	5.3
70.14508	0.7
71.01388	18.3
72.01728	0.9
72.99315	4.5
73.02947	3.2
74.99078	1.4
75.00871	4.2
83.01384	1.8
85.02966	6.8
87.00875	2.1
89.02447	7.7
95.01400	1.0
99.00858	1.6
101.02467	7.6
102.02832	0.7
111.00888	3.4
113.02469	5.5
114.93314	0.7
115.00386	3.1
116.05079	9.2
119.03517	2.3
119.05043	10.6
128.05052	1.4
130.06667	2.0
133.01431	3.0
142.06642	100.0
143.06998	6.2
143.50172	0.7
144.04579	1.9
149.42822	0.7
154.99777	0.7
157.12277	1.4
158.04730	0.9
158.06133	11.5
158.12718	0.9
161.04588	1.4
163.04036	7.4
167.65286	0.7
168.03131	1.1
175.02475	1.1
177.87816	0.7
186.05620	46.9
187.05966	2.6
188.07233	0.8
203.11115	0.9
203.12877	3.7
204.06677	32.7
204.13145	5.4
205.06955	1.2
208.79079	0.8
237.06233	0.9
246.07736	3.1
250.01833	2.1
307.17749	4.3
366.11990	87.6
366.18597	20.0
367.12314	9.8
367.18832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2698
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.53958	0.3
59.01374	0.5
70.59880	1.1
85.06592	2.0
94.25786	0.2
98.19856	0.3
105.19812	0.2
129.07034	0.2
159.06572	0.3
165.12938	0.3
176.09573	0.3
177.44514	0.2
181.12335	0.2
199.13406	2.7
200.13675	0.3
215.30176	0.3
218.54979	0.3
251.20288	0.5
261.18579	0.8
269.55328	0.3
279.19659	15.8
280.20004	1.4
280.46793	0.3
347.25894	5.9
348.26242	0.9
363.25385	0.6
365.26971	100.0
366.27304	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46936	0.2
59.01381	100.0
60.01725	1.3
63.71782	0.2
69.71561	1.9
71.01385	0.3
72.60555	0.3
79.09457	0.2
82.97782	0.2
89.02511	0.3
91.19261	0.2
98.19884	0.5
110.42300	0.3
167.94202	0.2
172.13145	0.2
217.40904	0.2
218.20833	0.2
219.08438	0.2
230.30153	0.2
263.06705	0.3
295.65924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46936	0.2
59.01381	100.0
60.01725	1.3
63.71782	0.2
69.71561	1.9
71.01385	0.3
72.60555	0.3
79.09457	0.2
82.97782	0.2
89.02511	0.3
91.19261	0.2
98.19884	0.5
110.42300	0.3
167.94202	0.2
172.13145	0.2
217.40904	0.2
218.20833	0.2
219.08438	0.2
230.30153	0.2
263.06705	0.3
295.65924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08070	0.4
55.01877	0.7
57.03451	2.2
58.00579	1.0
59.01382	28.4
61.98820	1.0
69.74213	2.8
70.49107	0.4
71.01385	17.9
72.46150	0.4
72.99314	1.1
73.02966	2.3
75.00896	0.6
82.03007	0.4
83.01400	1.8
85.02965	5.6
87.00890	1.2
89.02451	13.9
95.01408	1.7
97.64680	0.4
99.00890	1.2
101.02455	12.0
111.00896	0.6
113.02464	6.8
113.09752	0.5
115.00393	0.8
119.03519	5.0
125.16474	0.4
127.11286	1.6
129.01892	1.0
131.03476	0.5
133.01436	1.7
139.11340	0.8
142.06648	1.0
143.03497	0.5
144.04552	0.5
151.07686	0.5
155.10756	2.2
157.12354	14.3
158.12680	0.8
159.10161	0.5
161.04550	1.1
161.09709	0.5
163.07663	0.7
165.09198	0.6
168.97403	0.4
171.13882	0.7
179.05663	0.5
179.10687	0.5
185.11833	2.3
186.05638	0.5
187.13408	1.0
199.13425	1.8
203.12880	43.2
204.13242	2.3
221.11821	1.3
245.13913	1.5
249.61171	0.5
279.82169	0.4
289.08298	0.7
289.11172	0.5
326.62082	0.5
330.20386	0.5
365.18179	100.0
366.11835	0.8
366.18558	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	365.2698
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01875	0.4
59.01374	1.1
61.98848	0.3
69.88840	0.2
70.23495	0.9
71.05025	0.6
77.07014	0.2
83.05042	0.4
87.00895	0.3
95.04948	0.2
99.04522	0.2
104.45946	0.2
105.01938	0.5
107.05004	0.2
113.42146	0.2
137.06125	0.4
137.08240	0.2
141.19885	0.2
153.12827	0.4
155.14420	0.6
156.27791	0.2
161.09685	0.3
163.11299	0.5
165.12868	2.6
181.12396	1.3
184.34399	0.2
186.65157	0.2
199.13405	30.5
200.13734	1.8
209.11758	0.3
277.21805	0.4
279.19614	0.4
312.68994	0.2
347.25934	3.8
348.26300	0.6
363.25467	0.4
365.26971	100.0
366.27316	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	364.1879
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
54.66784	0.3
58.49193	0.3
59.01378	2.5
60.01707	0.4
61.98844	0.4
70.03255	1.3
71.01392	0.8
71.02520	0.7
72.00909	4.2
73.03664	0.5
73.04073	9.3
74.48048	0.3
81.83738	0.3
82.06633	0.9
83.02515	1.5
91.04942	0.3
91.05538	4.5
91.06104	0.3
101.02415	0.6
103.05178	0.6
104.03544	0.4
109.31490	0.2
111.02039	0.8
111.04431	0.5
112.07703	1.0
113.02466	0.3
118.06630	0.9
123.77671	0.3
129.10361	15.9
130.08742	3.0
130.10695	0.4
135.04507	0.5
139.08833	1.6
140.07201	5.1
141.10355	2.7
143.11900	0.9
147.04535	18.2
148.04906	0.6
154.08591	0.3
155.08282	0.4
164.07179	47.7
165.07509	2.6
168.11436	6.1
169.09839	4.2
171.11421	0.3
181.09862	0.8
182.08224	1.0
186.12488	48.3
187.12866	2.3
198.12523	1.2
199.10915	6.9
200.11220	0.3
202.02771	1.7
203.10744	0.8
216.13925	0.6
220.67102	0.3
226.15666	0.3
233.16594	11.3
234.16948	1.1
277.15475	1.3
288.08810	0.5
290.18744	7.1
291.19064	0.8
302.18622	0.5
302.54263	0.3
332.07620	0.3
334.17697	9.9
335.17966	0.9
346.17755	1.5
364.18768	100.0
365.08896	0.7
365.19128	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19693	0.2
55.75384	0.2
57.03459	0.6
59.01379	100.0
60.01715	1.4
61.98834	2.0
63.56399	0.2
71.01376	1.2
71.72718	0.4
72.68317	0.2
85.02975	0.6
87.00889	0.5
99.00866	0.2
101.02460	0.3
109.02956	0.2
113.02441	0.3
115.00377	0.4
133.01428	0.3
135.04581	0.4
175.02509	0.4
201.39012	0.2
207.06592	0.3
207.10342	0.4
242.41501	0.2
365.20026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.9
61.98825	1.8
65.99850	2.0
69.98405	3.5
71.01384	2.4
73.02944	0.8
77.96044	0.6
82.02985	34.1
83.01397	2.6
85.02971	1.4
89.02438	1.1
92.05093	1.2
94.02995	2.2
105.02203	1.3
108.04557	0.9
110.02485	1.0
115.00427	0.9
118.02982	0.7
120.00972	0.6
120.04564	1.7
121.01765	1.0
122.02508	1.4
122.06142	5.5
124.03992	0.8
134.02472	1.0
135.03304	0.9
136.04059	25.6
136.07710	1.5
137.04478	0.8
138.05650	1.4
152.03563	1.0
160.07674	2.1
161.07216	2.3
164.03551	39.0
165.03931	2.2
174.05685	0.7
176.07133	2.2
178.08708	0.9
180.03014	1.3
182.04570	2.6
186.05748	0.7
188.07236	1.1
194.04601	21.8
195.05400	5.4
196.06166	24.6
197.06447	2.2
200.07173	0.9
202.08698	3.3
203.08363	0.9
204.06714	1.6
215.05934	0.9
216.06662	1.0
217.06158	1.5
219.11298	0.7
229.06146	1.5
231.07677	3.3
235.52458	0.7
242.08138	1.7
243.04126	0.9
243.11302	0.8
244.09872	6.3
245.09418	3.2
254.07158	0.7
257.05756	0.9
258.06418	2.5
259.07190	1.9
259.10944	1.7
266.51199	0.6
269.09268	1.9
270.07654	4.2
271.07251	4.1
272.07889	1.7
275.14185	0.9
287.10370	100.0
288.10751	9.2
291.09869	2.4
313.08258	2.9
319.12943	2.7
322.14761	0.6
331.09366	50.2
332.09677	6.7
363.11911	8.9
363.16422	2.1
363.23688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76987	0.9
57.03440	1.0
59.01379	53.8
60.01708	1.1
60.15297	1.0
61.98829	3.8
69.46717	0.9
69.68375	6.0
71.01385	20.8
72.01730	0.8
72.99297	1.3
73.02940	2.2
73.08078	0.8
75.00886	1.3
78.95895	1.3
83.01373	0.9
85.02962	2.9
87.00903	2.4
89.02444	2.4
89.53326	1.1
93.03465	1.4
100.95425	1.0
101.02449	1.9
107.05052	1.3
110.34657	0.9
113.02444	1.7
115.00394	10.4
119.05048	11.1
133.01457	9.3
135.03000	2.9
135.04526	4.0
136.05037	1.4
139.11311	25.9
144.04538	1.1
155.10776	1.6
158.06149	2.0
163.04022	3.1
163.11290	1.2
165.09299	2.4
169.08708	0.9
171.04463	1.0
172.04091	1.3
175.02498	2.5
179.03479	4.1
180.03867	2.3
181.12378	16.2
183.10278	34.8
190.05049	2.8
199.13455	5.7
204.06612	1.0
223.07788	1.0
225.11322	8.1
239.10812	2.0
243.12369	100.0
244.12688	8.2
245.04457	1.4
285.11572	1.2
302.59155	1.1
327.08795	4.1
329.11136	1.5
343.13068	1.2
359.14597	1.1
361.15005	59.9
361.21603	4.9
362.15472	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	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
57.14461	0.5
59.01379	34.8
60.01719	0.5
60.56596	0.4
61.98825	1.0
69.50056	2.2
69.50492	2.0
71.01389	5.7
72.44527	0.4
73.02955	3.8
74.96967	0.4
75.00874	0.5
77.72485	0.6
98.20627	0.9
101.02437	0.5
109.06644	0.5
115.00368	2.1
117.01959	0.7
119.05047	3.5
133.01447	1.5
135.04567	0.7
139.11310	32.8
140.11661	1.9
163.04015	0.8
163.11328	1.4
165.09204	1.7
181.12366	16.5
182.12701	1.0
183.10278	38.3
184.10609	2.3
193.46107	0.4
199.13390	7.1
225.11325	11.2
226.11638	0.9
243.12366	100.0
244.12686	7.6
327.08823	2.2
361.15039	56.6
361.22397	1.4
362.15353	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	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63498	0.4
54.70415	0.4
59.01378	22.8
59.38028	0.4
60.98651	0.4
61.98811	1.3
69.48827	0.4
69.60779	0.9
69.61186	2.6
71.01388	0.5
85.62218	0.5
98.19897	0.7
115.00325	0.4
124.80810	0.4
133.01408	1.3
135.04463	0.6
145.81711	0.4
163.04008	0.5
167.78923	0.4
224.73865	0.4
230.81410	0.4
259.20718	0.5
272.62341	0.4
277.21716	100.0
278.22073	12.3
278.25198	0.4
359.22043	25.6
360.22424	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	359.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01377	1.8
61.98827	0.6
67.61090	0.2
71.01385	0.8
71.72162	0.3
75.07458	0.2
77.32452	0.3
78.20676	0.2
115.00391	0.9
124.79363	0.2
127.11313	0.3
133.01428	1.6
135.04514	1.0
141.12848	0.4
155.10764	0.3
163.04044	0.3
179.03519	0.7
185.11894	0.3
209.11829	0.3
227.14049	0.3
267.23410	0.3
271.22836	0.4
311.22363	0.7
311.25974	0.9
313.23862	5.8
314.24164	0.7
325.23712	0.3
341.27005	1.6
357.26440	1.0
359.28024	100.0
360.28369	13.8
360.32922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01383	2.6
61.98823	1.4
63.60779	0.3
67.55229	0.4
69.03430	0.4
69.86165	0.3
70.46166	1.5
71.01389	0.8
84.59976	0.4
98.20563	0.4
106.63836	0.3
115.00401	0.8
119.05028	0.4
127.11318	0.4
133.01436	2.6
135.04523	1.6
137.09741	0.5
141.12881	0.3
163.04015	0.5
179.03493	1.5
180.74539	0.4
183.44745	0.4
198.30351	0.3
254.98628	0.5
295.22733	0.5
311.22330	0.5
311.25784	1.1
313.23846	7.0
314.24399	0.8
341.26981	1.6
357.26685	1.1
359.28033	100.0
360.28375	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	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
57.73219	0.8
59.01378	100.0
60.01702	1.4
69.82382	6.0
71.01381	2.6
71.05010	1.9
72.99306	1.7
73.02924	1.6
75.00876	18.6
89.02451	2.7
99.04495	1.0
109.36706	0.7
115.00405	1.3
117.01968	2.7
119.08706	2.6
119.54350	1.0
133.01425	2.4
135.03015	83.3
135.04468	4.5
135.08231	0.8
136.03339	1.7
137.09747	6.2
137.88266	0.9
161.09744	1.4
163.03943	1.1
163.07703	1.2
179.03505	2.6
179.10759	3.5
181.08723	9.8
197.11836	65.7
198.12193	4.8
224.44673	1.0
241.10809	39.4
242.11104	2.7
268.39441	0.8
299.21136	0.9
314.29428	0.9
359.13452	72.1
360.13773	7.2
377.21829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01382	100.0
60.01714	1.4
60.99313	0.8
61.98831	1.4
67.05537	0.8
69.73435	5.0
71.01376	6.9
71.05030	2.4
72.00358	0.7
72.99316	1.0
73.02962	2.1
75.00883	4.8
83.05023	1.0
83.44730	0.7
85.02964	1.1
87.00893	3.0
89.02476	2.1
97.06593	1.1
99.04542	3.8
115.00389	5.9
117.01952	0.8
119.05038	1.1
119.08691	4.0
121.02975	0.8
122.06154	1.2
132.04594	1.3
133.01456	6.7
134.06252	0.8
135.03023	23.7
135.04532	9.2
135.08189	1.2
135.11821	0.8
137.09749	8.5
146.06145	1.2
148.07721	1.1
150.09267	1.0
153.12888	1.0
154.99887	1.5
158.02551	0.9
160.04117	0.9
161.09723	2.1
163.03975	1.6
163.07655	2.0
163.38690	0.8
169.45258	0.7
175.02499	2.4
176.03609	1.2
179.03499	7.3
179.10811	6.3
181.08722	14.5
183.10281	1.6
190.05096	3.2
195.99890	0.6
196.32756	0.8
197.11845	61.0
198.12212	3.2
202.23450	0.7
215.11974	1.3
223.09872	1.6
224.09532	0.8
225.88115	0.6
241.10829	69.7
242.11113	4.1
243.12196	6.2
253.06160	0.9
271.14786	1.5
283.10922	5.4
302.09064	2.4
315.13525	8.4
316.13803	1.2
317.16113	0.9
318.98770	0.7
327.09766	3.3
359.13431	66.0
359.20721	1.7
360.13748	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	359.0985
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.40234	0.4
54.78833	0.4
59.01375	1.8
68.53648	0.4
71.01382	2.1
72.99311	0.9
73.04050	0.9
74.02485	1.2
81.03497	0.5
85.02958	1.0
87.05650	1.1
88.04050	1.1
95.01369	2.3
101.02446	0.6
107.05042	0.5
108.44906	0.5
109.02952	1.1
110.57354	0.4
113.02444	0.4
115.00385	2.6
116.00644	0.3
119.05035	0.8
120.01289	0.4
121.03011	0.6
123.00906	36.7
123.04531	0.5
124.01221	1.1
128.03430	0.5
130.98804	0.4
133.01463	7.6
134.01802	1.1
135.04550	2.3
136.05302	0.9
137.02472	1.6
137.06082	0.5
138.03250	47.7
139.03574	1.8
140.44879	0.3
142.23534	0.3
149.06119	0.8
151.04047	0.9
152.04564	0.5
153.05597	17.2
154.05910	0.5
161.06105	1.0
163.04001	1.1
165.01904	0.4
166.46539	0.3
166.99884	10.7
168.00227	0.4
179.03513	1.5
179.07211	0.5
180.03870	0.6
181.01335	0.4
182.02231	37.5
183.02614	1.4
197.04572	100.0
198.04939	5.1
205.05046	0.5
239.05615	0.4
271.09821	0.8
279.04904	0.7
307.90002	0.5
315.16730	1.4
329.18237	0.6
359.10211	2.7
359.19543	2.5
360.68198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.68771	0.6
59.01379	11.1
59.68404	0.7
60.99286	0.7
61.98819	1.4
67.01905	1.0
70.02984	2.0
71.01385	9.3
71.35663	0.6
71.72532	1.0
71.72897	0.9
72.00921	3.2
72.04559	0.9
72.99309	3.0
73.02957	1.3
74.02478	90.0
75.00883	1.0
75.02821	1.2
75.59785	0.7
81.02229	1.7
82.02992	3.8
82.06647	2.4
83.01412	1.8
84.00920	1.4
84.15154	0.7
85.02966	0.9
87.00887	1.6
88.04050	1.9
88.98795	0.7
89.02460	2.5
89.04010	1.0
93.03470	3.4
94.03011	0.7
94.03809	0.9
96.00932	2.0
96.04565	0.9
96.96073	0.8
96.99325	0.8
98.02488	74.1
99.00913	3.5
99.02837	2.1
100.00405	3.7
101.02487	1.1
107.05041	1.6
108.02198	2.4
109.02976	13.7
111.03281	1.4
111.05653	0.9
112.02837	1.1
112.04074	2.8
112.07730	1.7
112.98795	1.4
113.02479	0.9
114.01960	1.3
114.05638	3.3
115.00388	12.9
116.03592	3.0
116.07193	1.3
116.92868	0.8
118.05113	12.2
118.05902	1.0
119.03493	0.7
119.05033	11.8
120.01279	2.2
120.05378	7.0
121.02956	3.9
122.09756	1.0
123.04519	4.3
123.08188	1.0
124.04897	1.2
124.35474	0.8
125.03577	5.3
127.05182	0.9
128.03539	1.6
129.10390	1.1
130.08737	5.1
133.01450	29.7
133.02962	1.5
134.03763	14.5
134.06131	1.7
135.04555	100.0
136.04898	4.1
137.02484	2.3
138.09236	1.4
139.08789	4.7
140.07198	5.2
140.10834	1.7
141.10378	3.3
143.04820	3.0
144.05374	1.0
145.03024	1.6
146.03760	2.0
147.04428	1.3
149.02542	0.9
149.06105	9.8
149.09778	1.0
150.06456	1.4
150.09288	2.1
151.04115	1.6
151.62650	0.8
152.07220	1.3
153.05568	1.3
153.10385	1.4
154.99939	1.4
155.08318	1.2
159.04532	1.7
160.05016	0.9
161.02469	0.9
161.06099	22.9
161.07401	1.2
163.04033	7.1
164.04376	1.9
164.10838	2.4
166.08766	3.0
167.12001	1.0
168.10324	7.7
169.09798	5.4
175.02504	1.2
175.04004	0.8
178.02734	1.2
178.05116	1.5
179.03514	70.8
179.11958	1.5
180.10310	0.9
181.09880	1.0
181.13354	0.9
182.08327	1.2
185.09416	2.1
185.13129	0.9
189.10399	1.3
193.05119	3.3
194.05455	2.6
194.08232	16.3
195.11363	1.1
196.06056	0.9
203.27585	0.8
205.05048	17.4
207.11411	16.8
208.11758	1.3
209.04478	0.9
209.09377	0.9
212.09383	3.6
225.12465	8.9
237.11383	1.3
239.10335	0.8
241.10922	1.7
242.05933	3.3
243.06715	3.0
243.14412	1.6
249.04019	1.7
251.06923	1.6
251.10542	0.8
252.07520	5.6
253.08612	5.0
254.09088	3.9
255.09851	1.5
257.11349	7.4
269.11407	65.4
270.11697	6.3
271.09689	10.2
280.07135	1.8
281.07733	3.3
288.83850	0.9
296.10178	2.9
297.08984	1.1
313.14011	20.5
314.11215	3.4
314.13922	23.1
315.08826	2.4
315.14059	4.0
340.09286	1.2
340.19006	1.0
358.10297	42.9
358.16367	54.1
359.01022	1.7
359.07162	9.1
359.16788	5.6
359.20584	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	357.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
58.02969	2.1
59.01382	58.3
61.07675	0.7
61.98842	1.5
67.03936	0.6
68.66677	0.6
70.02985	17.8
71.01391	1.3
71.02525	0.7
71.39555	1.0
71.39899	1.2
72.04546	3.0
73.02940	0.9
73.04076	2.1
74.02487	1.5
75.00873	1.1
78.83611	0.6
82.98209	0.7
93.03492	0.7
96.00928	31.4
96.99342	0.8
99.04550	0.9
101.37284	0.7
102.66354	0.7
103.41070	0.7
108.02158	0.8
109.01717	0.9
110.61514	0.6
113.03579	5.7
114.01987	22.9
115.00407	0.9
119.05061	1.5
123.04463	0.7
124.07709	3.1
130.08772	3.3
131.04671	5.4
133.01492	0.9
134.03731	2.4
135.03004	4.7
143.08374	0.7
146.03763	0.8
151.11293	0.8
154.12381	1.3
159.04456	1.0
161.06079	0.8
163.03961	1.0
164.10820	15.0
165.11215	0.8
166.08714	0.7
182.11876	6.1
197.09715	0.9
199.18208	1.0
203.03584	1.8
204.43311	0.8
224.12840	3.7
239.09276	1.9
239.58168	0.8
242.13989	38.5
243.14320	3.0
251.07201	1.6
252.15968	1.5
253.08644	1.1
256.20349	1.0
277.15689	3.3
279.13510	13.1
280.07278	1.4
280.13498	1.3
295.16556	4.2
296.14981	10.8
297.14716	8.2
298.00192	0.8
298.15186	0.9
313.07089	1.3
313.10669	0.9
321.14682	0.7
339.11548	1.5
339.15631	25.0
340.14185	3.2
357.10071	12.7
357.16687	100.0
358.10065	1.7
358.17087	10.5
358.21387	1.3
378.76855	0.7
383.24756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.3
59.01380	16.0
60.01726	1.1
61.98833	12.9
63.99263	2.2
67.01910	2.0
70.74548	0.8
71.01387	12.0
71.72775	1.2
72.00915	3.7
72.99323	3.3
73.02958	3.6
74.02480	100.0
75.02835	1.3
78.95927	1.0
82.02998	3.3
82.06630	4.2
83.01411	1.2
83.02505	1.0
85.02981	1.6
87.00884	1.5
87.05666	1.9
88.04073	1.7
89.02451	2.3
92.05080	1.4
93.03484	0.8
95.05074	1.5
96.00954	1.0
97.06609	1.2
98.02490	77.4
99.00896	3.0
99.02833	2.2
100.00426	4.2
101.02453	4.1
101.38817	0.9
107.05067	0.9
108.02190	2.7
108.18496	1.1
109.02981	7.9
110.02539	0.9
112.02822	1.4
112.04058	2.7
112.07697	2.4
113.02499	2.1
115.00392	11.7
116.03555	2.7
116.92856	1.0
118.05140	14.1
119.05000	5.7
120.01295	1.1
120.05386	3.2
121.02980	3.7
121.06671	1.2
122.06153	1.1
123.04519	5.4
124.04889	1.6
125.03606	4.1
128.03574	2.6
129.10335	2.1
130.08740	1.4
132.03090	1.3
133.01456	27.5
133.02936	1.2
134.03766	7.6
135.04567	34.1
136.04037	3.8
136.04939	4.5
137.02472	2.2
138.09293	1.5
139.08826	5.6
140.07188	4.0
140.10881	1.6
141.10361	3.8
143.04700	3.1
147.04630	1.3
148.05330	2.6
149.02417	1.0
149.06125	8.3
150.09290	1.7
151.03983	1.5
151.46172	0.9
152.07217	3.3
153.05551	1.4
153.10356	1.0
154.05968	1.3
155.08205	1.0
161.06105	6.3
163.03975	4.3
164.04599	1.1
164.10753	2.5
165.10327	1.3
166.08794	1.9
167.11909	2.1
168.10301	9.3
169.09761	6.2
170.08253	1.2
179.03528	20.2
179.11928	1.8
181.09842	1.6
181.13341	1.9
185.09366	2.0
187.10683	1.0
193.05087	1.6
194.08247	18.7
195.08441	1.2
197.04460	1.3
205.05023	2.4
207.11411	13.1
212.09294	4.8
224.06319	1.1
225.12431	9.6
239.10487	1.1
241.05113	1.3
241.07259	2.1
242.05495	5.2
242.07704	2.8
242.18761	2.1
243.13542	1.6
252.07454	2.5
253.08463	1.7
254.09209	2.0
255.09691	1.6
257.11371	9.8
258.11865	1.2
269.11420	65.9
270.11789	6.4
271.09732	16.1
280.07086	1.0
281.07788	1.9
296.09753	1.3
298.10010	1.9
299.05627	3.3
313.14026	22.2
314.13745	27.1
315.13925	2.4
316.11197	4.6
338.38132	0.9
340.08746	0.9
358.10284	20.9
358.16220	55.1
358.21295	5.0
359.00787	1.4
359.06964	4.6
359.16577	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	0.4
57.78499	0.4
59.01379	5.1
61.98820	0.5
69.03443	0.5
69.31881	0.4
70.85847	0.4
71.01383	3.2
71.05025	8.4
71.73861	0.6
72.99300	1.5
73.02948	3.0
75.00878	19.6
83.01370	0.4
83.04986	0.5
83.39806	0.4
85.02972	0.7
89.02461	3.9
93.03467	1.1
95.05037	5.1
99.04535	8.7
106.04269	0.5
108.08206	19.8
113.02466	0.7
115.00400	0.9
117.01965	1.7
119.05051	1.8
120.08215	0.4
121.06588	2.1
129.10365	0.5
130.08736	2.5
131.09142	0.5
132.05844	0.5
133.01482	0.6
133.10211	1.1
134.03799	0.8
135.03017	100.0
135.08197	1.3
136.01659	0.7
136.03343	2.3
148.05347	0.6
149.09686	0.8
151.04073	0.9
151.11302	24.8
152.07185	16.1
152.08418	0.8
152.11656	0.9
160.05321	1.8
161.06168	0.8
163.04063	1.3
165.05634	1.2
166.08736	3.3
172.15965	0.4
177.05516	0.5
177.09302	1.4
179.03546	0.5
193.05141	0.9
194.08205	2.1
195.10277	7.5
196.06155	12.0
196.07877	0.7
196.10609	0.7
197.09676	3.4
219.06641	0.9
221.08325	0.5
227.07098	0.4
238.07320	1.6
239.07147	0.8
239.09319	2.7
241.08672	3.3
253.08594	0.9
254.09511	0.9
269.11938	1.6
283.08734	0.4
288.96021	0.4
298.09274	1.5
313.10706	2.5
356.25729	0.7
357.12106	18.3
357.25861	2.6
358.11545	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	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01384	6.0
59.45262	0.7
69.64196	1.5
69.64598	5.2
71.01394	2.9
72.99293	1.6
73.02943	3.1
83.01406	3.1
85.02966	5.1
87.00883	14.6
98.20722	0.8
111.00900	3.3
113.02464	4.0
115.00388	24.8
120.59182	0.6
123.04573	0.9
129.01967	1.0
135.04512	1.0
135.08202	1.6
137.09731	7.8
138.10136	0.8
139.00397	9.4
155.10803	100.0
156.00282	0.8
156.11130	6.6
157.01450	16.8
175.02486	2.6
177.05609	2.1
199.09784	48.6
200.10117	2.8
203.07193	2.1
221.08246	1.3
241.10817	0.9
246.54250	0.8
339.12198	1.0
357.11935	45.9
358.12250	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	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13244	0.8
55.01858	1.2
56.91437	0.9
57.03433	1.0
59.01381	53.6
61.98831	12.4
70.87637	1.7
70.88006	1.7
71.01385	37.6
72.01703	1.3
72.99313	6.9
73.02953	26.2
74.02480	25.7
75.00851	1.6
77.42284	0.9
78.95933	0.9
81.03433	0.9
83.01397	7.4
85.02959	7.4
87.00853	2.6
87.05652	6.6
88.04025	2.2
88.70095	0.9
89.01999	0.9
89.02446	9.8
91.01871	2.1
91.05503	1.1
93.03467	5.8
95.01343	1.5
96.00910	1.1
96.99288	2.9
98.02490	12.1
99.00847	2.5
101.02457	24.0
107.04987	1.7
108.02145	2.0
109.02946	2.1
113.02461	9.4
114.01937	1.0
115.00386	8.8
115.08707	3.1
117.03465	2.3
118.05058	1.7
119.03461	2.9
119.05041	37.3
120.01277	1.3
120.05312	2.2
121.02888	3.4
123.04533	26.5
124.01672	1.2
124.04882	1.4
127.05092	1.1
129.10406	4.2
130.04182	1.0
131.03458	1.7
131.04939	1.6
132.05820	1.1
133.01463	12.9
133.02945	2.7
134.03754	40.7
135.04546	72.9
136.04872	2.7
137.02460	2.2
139.08701	1.3
141.10312	1.4
143.03499	1.3
143.04938	6.9
143.11841	2.7
145.02884	2.5
146.03653	3.8
147.04469	4.0
148.05269	1.3
149.02446	5.9
149.06087	6.9
150.03088	3.1
151.04018	6.9
151.11247	1.0
152.07141	1.5
153.05600	24.1
153.10233	1.1
154.05864	1.0
154.99742	1.2
158.03667	2.1
159.03415	0.8
159.04536	8.5
160.01576	0.9
161.04520	1.7
161.05949	2.6
163.04060	10.7
164.04813	7.2
165.01962	4.9
168.10068	1.2
169.09779	1.8
173.06062	2.1
173.09187	1.4
175.02361	1.7
177.05469	1.3
178.02643	1.5
179.03506	5.1
179.07108	1.2
179.11964	0.9
180.04321	4.8
183.04472	1.9
193.05092	10.1
194.08154	3.1
195.06645	13.5
196.06880	0.9
200.13795	0.9
207.11235	3.3
208.03754	1.0
210.25005	1.1
211.07561	2.0
223.06113	9.8
225.12347	1.2
226.06219	2.5
232.42006	0.9
235.07468	1.1
241.07120	36.7
242.07304	3.2
242.18561	2.1
251.07137	15.3
252.07864	6.5
253.08662	8.5
254.09474	5.9
267.10062	1.2
269.08340	1.1
269.11484	10.6
279.06476	4.9
280.07349	10.0
294.12692	1.2
295.09647	8.3
296.09619	1.4
297.06927	1.5
297.09796	19.0
298.10004	1.1
311.36661	0.9
313.10809	17.5
313.13916	2.4
313.22211	1.2
314.10519	1.3
314.13361	2.8
315.10849	44.2
316.10876	3.9
324.06018	1.9
339.08496	3.7
339.12317	0.9
357.09515	100.0
357.21387	20.7
358.09857	14.2
358.15982	10.8
358.20483	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	357.0981
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
55.84919	0.3
58.02686	0.5
58.02971	6.2
59.01376	2.6
69.73869	2.9
70.02978	4.4
71.01388	1.9
71.02508	0.5
71.05017	2.0
72.99306	0.6
73.02945	0.8
75.00887	3.5
83.05033	0.4
87.05635	0.9
89.02457	1.1
91.01900	2.6
93.03473	4.9
94.41483	0.4
95.02503	1.0
95.05029	0.7
96.00475	0.4
96.00946	4.5
96.99323	3.5
97.95263	0.4
98.20612	0.9
98.49114	0.5
99.00877	2.9
99.04523	1.6
104.80969	0.4
106.06634	9.0
107.06982	6.9
108.02177	3.7
109.03018	0.7
111.01970	0.5
111.05641	0.8
112.04012	0.9
113.03592	5.2
114.01978	6.3
115.08131	0.4
116.85212	0.4
117.03461	1.0
118.06660	0.4
119.05036	8.5
121.02961	0.5
121.06617	0.9
123.00911	3.9
123.04539	6.5
129.10347	0.5
130.04259	0.6
130.08742	2.0
131.04605	9.6
131.09093	0.6
132.09387	0.4
133.01495	0.5
133.02939	1.8
134.03757	10.1
135.03020	12.5
135.03996	0.6
135.04570	0.6
135.08133	0.6
138.03253	2.6
139.11298	3.1
143.05042	6.5
145.02910	2.6
145.06546	1.0
146.03763	3.9
147.04515	0.8
148.01631	0.5
148.05368	0.6
149.06111	1.0
150.05640	5.1
151.05972	6.8
151.11284	4.3
155.04642	6.2
158.03748	2.8
159.04550	4.4
160.01599	0.6
161.06070	1.8
163.04028	5.3
164.07166	1.0
165.07533	0.8
171.04494	1.1
173.05811	2.8
174.03200	0.4
175.04045	0.6
177.01932	0.7
177.09175	1.0
178.02721	1.4
183.10275	3.6
187.03999	0.6
189.05670	0.9
192.06648	0.9
193.05037	3.5
193.06818	0.8
194.04594	0.7
195.04901	1.2
195.10229	1.5
197.09727	1.3
199.18071	0.5
203.03510	15.7
204.03886	1.5
224.12961	1.0
225.05510	0.4
226.06326	1.8
227.03543	2.5
234.01637	2.8
235.07677	0.8
237.05609	0.7
239.07062	1.6
239.09300	1.6
241.08737	2.7
242.05907	1.5
242.13998	8.3
249.04033	3.9
250.06332	0.7
251.07123	11.8
252.07805	6.0
253.08719	4.6
254.09471	2.3
267.10312	0.7
269.04559	0.6
269.11774	3.4
279.06631	3.9
280.04486	0.4
280.07355	9.7
281.07782	1.0
283.05881	0.7
295.09753	6.8
296.10034	1.0
299.05661	0.5
311.05591	3.1
312.05899	0.5
313.10822	3.6
314.11081	0.5
324.06360	1.5
327.05075	5.6
328.05576	0.9
339.08871	2.9
339.15585	2.9
340.09250	0.4
340.13953	0.9
342.07437	3.1
355.71420	0.4
357.09784	100.0
357.16330	18.0
357.25836	1.4
358.10104	13.2
358.17026	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	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81261	2.6
52.22001	2.8
52.75950	2.8
55.58060	3.0
59.01373	7.4
61.98832	100.0
71.71637	4.1
71.72061	3.5
78.15416	3.1
85.02956	4.2
86.01488	3.0
121.02954	18.7
151.58189	3.7
356.19577	3.8
357.05783	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	357.094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62827	0.3
54.06803	0.3
57.03451	1.0
58.02987	0.5
59.01379	15.1
61.98832	100.0
69.91683	1.4
70.02975	3.2
71.01392	2.0
71.05039	0.5
72.04561	0.5
73.02966	1.0
73.04086	1.4
74.02477	1.3
75.00883	1.1
77.93813	0.3
83.38605	0.3
85.02988	0.6
87.00880	0.6
89.02460	0.6
91.75330	0.3
93.03507	1.7
95.05013	0.3
96.00925	7.0
97.06621	0.3
99.00890	0.3
99.04545	0.6
101.02428	0.7
108.02197	0.8
109.02962	0.6
113.02496	0.8
113.03574	1.0
114.01985	4.7
115.00385	0.8
117.03496	0.3
119.05036	3.7
123.04568	0.7
124.07688	0.6
129.10368	0.7
130.08752	2.5
131.04599	1.4
133.01457	0.7
133.10214	0.4
134.03778	3.9
135.03023	3.4
135.04546	1.2
138.03326	0.4
143.05014	0.6
145.02968	0.5
146.03749	0.4
149.06087	1.0
151.11288	1.3
154.99821	0.5
159.04578	0.6
161.02539	0.5
161.04738	0.4
161.06082	0.7
163.03999	1.0
164.10846	3.2
177.09253	0.4
179.03505	0.8
182.11864	1.3
191.03542	1.5
193.05086	1.2
194.05827	0.4
195.10289	0.4
197.09636	0.6
199.18181	0.6
203.03545	1.0
208.13335	0.4
209.09663	0.4
211.07611	0.4
219.24797	0.3
224.12950	0.8
225.02338	0.3
225.11348	0.4
226.11966	0.7
239.07072	0.4
239.09163	1.6
241.08623	0.4
242.13979	8.0
251.07109	1.3
252.07950	0.7
252.16341	0.4
253.08710	1.1
254.09406	0.9
256.20322	0.6
269.11780	0.8
277.15530	0.5
279.13455	2.9
280.07361	1.0
295.09695	0.7
295.16626	0.7
296.15024	2.6
297.14597	1.5
313.07123	1.4
313.10855	3.4
327.08624	0.7
339.09036	0.5
339.15610	4.7
340.13940	0.7
340.18732	0.4
342.11011	0.5
357.09808	10.9
357.16660	18.9
357.21317	3.3
358.10019	1.0
358.17065	1.3
358.21454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90546	0.5
59.01380	12.4
61.98830	100.0
62.78533	0.5
69.80174	1.7
69.80608	2.0
71.01388	9.2
72.99306	2.0
73.02943	4.3
74.02470	5.6
82.02985	0.7
83.01411	2.6
85.02956	5.5
85.06616	1.0
85.54462	0.6
86.03308	1.6
87.00877	0.7
87.05652	2.2
88.04059	1.5
89.02467	2.9
89.03952	0.6
91.01919	0.7
93.03500	1.3
96.00942	0.7
96.99347	0.8
98.19884	1.0
101.02449	4.8
108.02167	2.6
108.37266	0.5
109.02981	1.9
110.08759	0.5
113.02498	2.0
115.00423	2.6
119.03562	0.7
119.05035	10.8
121.03033	0.8
123.04544	5.6
129.10390	1.3
131.04967	0.6
131.07159	4.7
132.03099	0.7
133.01459	1.9
133.02985	1.1
134.03752	14.9
134.04695	1.1
134.06180	0.6
135.03053	1.0
135.04562	12.2
143.05048	2.0
146.03770	1.0
148.05280	0.8
149.02455	2.2
149.06087	2.5
150.03191	1.0
151.04015	3.2
152.01216	1.6
153.05586	5.0
155.08292	0.7
159.04565	1.5
161.06169	0.7
162.06470	0.7
163.04079	3.7
164.04832	1.7
175.02547	0.8
177.02011	0.7
178.02808	0.8
179.03426	1.1
180.04362	1.2
191.02081	1.1
193.01285	0.8
193.05095	3.9
194.01833	0.7
194.05484	1.9
195.06625	4.1
196.05438	0.6
209.03052	2.9
210.03470	1.7
211.07678	0.9
222.12550	2.7
223.06190	2.2
240.13612	2.4
241.07108	8.3
241.12030	1.2
242.18834	1.2
251.07123	4.1
252.07941	1.8
253.08733	2.9
254.09518	1.7
269.11884	0.9
279.06720	1.0
280.07568	2.8
293.12415	17.4
294.12842	1.9
295.09732	2.5
297.09882	1.5
312.15860	0.7
313.10818	5.7
315.10818	5.6
324.06656	0.6
339.08914	0.9
356.10693	1.2
356.14813	2.1
356.18588	0.9
357.09671	31.9
357.21500	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	356.0989
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01381	2.8
61.98831	0.8
69.39246	1.3
69.39679	1.8
71.01384	2.1
73.02958	0.4
80.05063	0.3
85.02979	1.0
85.37976	0.2
93.03430	0.3
95.01396	0.4
98.20613	0.7
101.02448	0.8
106.06641	100.0
107.06959	3.2
108.02192	0.7
108.08201	6.1
113.02458	1.6
118.06638	0.7
119.05038	0.6
120.08208	0.6
129.10352	0.4
130.08765	4.2
131.03781	1.4
134.03802	0.5
134.06143	0.4
134.34543	0.3
135.03012	1.2
135.04558	0.3
136.07709	0.5
146.06061	0.6
150.05626	52.9
151.05963	2.0
155.69936	0.3
162.05576	0.5
163.04099	0.7
164.07179	10.0
165.07544	0.4
174.05623	0.8
177.01793	0.3
192.06674	6.7
193.05138	0.5
193.06990	0.3
194.04591	28.9
195.04948	1.9
195.10274	0.5
196.94878	0.3
199.18129	0.8
225.16124	0.5
228.53786	0.3
236.05661	5.2
237.06059	0.3
239.09259	0.3
266.06622	0.6
269.11609	0.4
296.07825	3.9
297.08115	0.5
297.65085	0.3
312.26736	0.4
313.10770	1.0
315.81226	0.3
356.09860	9.5
356.21301	0.4
356.25458	4.4
357.10196	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94006	2.9
52.77917	3.7
55.79623	2.6
59.01385	15.8
60.46604	2.9
61.98824	10.6
67.88775	3.1
71.01383	5.3
71.72733	2.9
74.99097	4.0
76.18191	3.6
76.79975	3.1
85.02948	3.1
99.00877	6.0
104.14633	3.0
109.25765	3.2
112.98809	10.4
130.08791	6.2
135.04550	5.6
138.97038	3.4
142.99852	15.1
173.00931	11.8
174.42084	3.0
182.01056	100.0
183.01331	5.2
206.99756	7.5
231.58760	11.4
253.14192	3.4
306.43646	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	356.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28758	0.4
57.97557	6.0
58.00592	0.7
59.01379	13.2
59.99134	0.6
60.97533	27.0
61.98835	1.1
66.47253	0.4
70.98354	1.9
71.01382	3.7
72.97543	3.7
72.99310	1.7
73.98322	2.4
74.99102	14.9
75.00871	3.3
78.95892	0.6
83.01413	0.5
85.02940	0.5
87.00883	1.0
87.98637	23.0
88.98940	0.6
88.99420	1.5
89.02454	5.3
91.05552	1.7
99.00896	0.6
104.75874	0.4
113.95941	0.3
113.96568	12.8
114.97356	19.8
115.00406	1.5
116.05077	7.8
117.01963	1.9
117.03484	1.1
117.05353	0.4
119.05051	0.6
124.41497	0.4
128.98923	0.7
129.06732	1.4
129.10344	0.4
130.98117	0.6
134.06178	0.4
135.02975	0.7
135.04501	0.6
142.06606	0.6
144.04570	2.1
146.06154	4.2
148.02319	0.8
150.03819	1.0
158.06107	1.1
161.00923	2.7
162.03864	0.7
172.04094	0.7
172.97888	1.7
175.02509	3.0
176.05380	0.5
178.03340	100.0
179.01749	6.9
179.03648	6.5
180.04909	48.0
181.05267	2.4
186.05554	2.5
188.07188	0.6
192.04926	0.5
194.06612	0.6
206.02806	4.9
207.03040	0.7
216.06624	0.5
218.02792	0.7
218.08249	0.4
220.04358	3.3
221.04675	0.5
223.13188	0.4
253.09587	0.4
264.03314	5.3
266.04819	1.2
281.09314	0.8
296.05945	0.7
324.05560	1.2
325.05945	0.5
356.08130	1.5
356.21320	0.8
357.10083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01615	1.5
55.01877	27.0
57.03440	1.7
58.02962	3.1
59.01377	9.5
61.98812	1.5
67.63226	0.6
69.97240	4.1
71.01383	14.3
72.99312	1.6
73.02948	3.7
74.02491	0.9
75.92686	0.6
78.95901	3.6
82.06607	1.2
83.01391	6.5
85.02959	10.5
87.00883	19.5
87.05640	5.2
93.03428	0.7
97.06586	0.7
99.00909	0.9
101.02457	1.0
104.03539	0.8
105.01917	1.6
106.06673	0.9
111.00890	2.8
111.04530	1.2
111.98024	0.8
112.98820	2.1
113.02441	1.8
114.05614	0.9
115.00381	32.0
117.01934	2.5
127.00366	2.4
129.01953	1.5
129.06729	1.4
129.10358	1.9
130.08752	29.7
133.01395	1.0
133.10237	1.1
135.08151	1.0
137.09750	1.2
139.00391	2.7
140.07150	0.8
152.99625	6.7
153.09229	56.5
154.09558	3.1
154.99881	100.0
155.10818	7.4
155.11949	1.1
156.00156	3.8
157.00276	1.2
157.01431	9.3
157.13557	0.8
166.08759	6.5
175.02490	69.1
176.02847	2.3
182.15404	0.8
183.11395	1.5
191.01872	0.6
193.05054	0.7
197.08194	18.7
197.11736	0.8
198.08562	0.9
199.09837	1.7
199.18111	4.9
209.02988	1.8
225.12526	1.3
243.17212	1.4
270.21875	11.9
355.10413	26.8
355.14468	1.3
355.25070	1.7
356.10818	3.0
356.21924	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15490	0.2
52.52298	0.2
55.01880	25.4
56.02225	0.4
57.03436	0.5
58.02608	0.2
58.02938	0.2
58.17366	0.2
58.49142	0.2
59.01382	3.0
61.98819	1.0
69.51180	3.0
71.01389	3.6
71.05018	0.7
73.02952	3.3
75.00883	0.3
78.95903	0.3
83.00957	0.5
83.01398	5.0
83.05014	0.4
85.02961	4.3
87.00888	2.1
89.24615	0.3
99.00887	0.8
101.02469	0.4
105.01958	0.5
111.00911	1.2
111.98028	0.5
112.98790	1.5
115.00367	1.4
115.08781	0.8
117.01954	2.4
127.00377	2.2
129.01997	0.7
129.10345	0.4
135.08195	0.3
137.09767	1.3
139.20573	0.3
147.03009	0.3
153.09235	1.0
153.12888	0.4
154.99884	100.0
155.10788	6.6
156.00218	3.7
156.11067	0.4
157.01434	0.8
175.02542	1.6
175.03903	0.4
191.01999	1.1
197.08401	0.4
197.11865	1.1
199.09811	1.2
202.07178	0.3
209.02988	1.3
223.13263	0.4
255.84390	0.3
312.17981	0.4
355.10056	0.6
355.13998	0.7
355.18027	0.4
355.24905	0.7
356.25531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
51.45582	0.4
56.13049	0.3
57.03448	0.9
59.01381	3.1
61.98846	0.8
69.73100	0.7
69.73513	2.1
71.01385	1.9
72.99297	0.4
74.42926	0.3
85.02950	4.2
85.03384	0.4
86.03291	0.4
93.03487	0.5
98.20608	0.7
109.02982	1.5
111.00878	0.8
113.02457	0.5
114.02000	0.5
115.00378	1.5
121.02985	1.5
131.04617	0.8
133.01436	2.1
133.02989	1.5
134.03757	57.3
135.04037	2.5
137.02458	8.6
137.03510	0.6
139.04031	3.2
147.03049	0.6
149.02435	0.6
149.06096	16.8
150.03239	0.7
150.06444	1.0
161.04597	0.4
163.04025	1.2
165.01839	0.4
175.02547	0.4
175.04013	0.8
178.02724	31.5
179.03081	1.9
191.02000	1.2
191.03523	0.4
192.00645	0.5
193.05067	100.0
194.05403	6.1
195.06512	0.4
203.03670	0.4
209.03014	2.1
263.26672	0.3
269.10361	0.6
336.08441	0.3
355.10385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	3.9
59.01385	20.1
69.03450	3.9
71.01390	36.6
71.05168	4.1
71.05514	3.0
72.99316	58.9
73.02953	68.0
78.95905	20.3
83.01402	6.1
85.02959	65.6
86.69456	2.3
87.00893	7.7
89.02437	2.5
95.01416	9.5
96.96030	6.3
96.96974	6.2
98.95614	3.1
99.00900	14.8
101.02448	23.4
103.04030	3.7
113.02465	100.0
114.02807	4.6
115.00401	11.5
116.52374	2.0
119.03593	1.9
126.98923	5.5
129.01956	25.0
131.03528	57.8
136.94028	4.0
138.93771	3.6
144.26764	1.9
157.01457	23.5
175.02501	93.9
176.02863	4.2
177.14906	2.0
191.95557	10.3
198.90630	2.1
200.90315	6.1
217.71259	2.1
223.98256	3.9
226.99039	3.3
251.97691	2.8
265.05695	4.4
269.00140	7.7
283.12146	2.4
294.98041	4.9
295.06680	2.8
318.82013	7.5
336.82870	4.1
355.08917	21.4
355.12766	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	355.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03442	5.8
59.01377	22.4
60.06750	2.1
67.01873	3.7
69.03463	6.1
69.74153	13.0
71.01382	41.7
72.99310	63.0
73.02950	67.7
73.03339	4.2
75.00870	2.7
78.95911	25.5
83.01394	6.7
85.02957	67.5
87.00910	8.4
89.02456	4.5
95.01397	14.9
96.96014	7.3
96.96980	6.6
99.00900	14.9
101.02444	22.8
103.04033	6.7
107.39653	2.1
113.02456	100.0
114.02826	2.1
115.00358	11.5
126.98878	6.8
129.01947	25.9
131.03517	66.2
132.03973	2.7
136.94044	4.9
157.01472	17.2
175.02490	99.2
176.02802	3.8
184.94167	2.0
191.95615	12.4
198.90451	3.6
200.90327	3.5
218.90427	3.5
223.98128	3.0
226.98993	3.9
234.96092	3.5
251.97722	3.9
256.85132	2.4
258.00644	2.0
265.05652	5.6
269.00000	8.4
294.97910	4.3
295.06689	2.5
318.81873	7.2
336.82840	4.7
355.08765	18.9
355.98706	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	355.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30032	0.5
55.01867	1.6
56.60287	0.5
57.03180	0.7
57.03447	13.1
59.01376	9.1
68.99814	0.6
69.82526	3.3
71.01387	7.4
72.74022	0.5
72.99311	2.1
73.02938	1.8
75.00867	1.5
83.01392	2.0
84.02173	2.9
85.02956	100.0
86.03275	2.7
87.00884	2.0
89.02448	1.9
91.84698	0.5
98.58426	0.5
101.02477	1.5
103.00382	1.6
111.00909	2.7
113.02519	0.8
115.00385	1.7
119.05025	2.5
120.35623	0.5
121.03015	0.7
129.01958	6.5
131.03522	0.5
133.01471	3.0
133.02286	0.5
134.03673	0.5
147.03014	9.1
149.06177	1.0
163.02742	0.5
163.03937	2.6
163.80711	0.5
173.00935	1.9
175.02512	0.9
182.08728	0.5
188.45511	0.6
191.01991	28.8
192.02324	1.0
209.03030	54.0
210.03322	2.3
231.59894	0.6
257.07953	0.5
355.06836	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88385	0.7
55.01862	2.5
57.03450	12.1
59.01125	1.1
59.01381	12.1
59.76636	0.8
68.99810	1.4
71.01383	8.5
71.71769	1.1
72.99315	4.0
73.02940	3.6
75.00872	2.6
75.93572	0.8
76.13563	0.8
83.01385	2.7
84.02163	2.3
85.02959	100.0
86.03311	3.1
87.00869	3.2
89.02456	2.4
93.94540	0.9
101.02427	1.6
101.63696	0.8
103.00383	2.6
105.03821	1.3
109.02971	1.4
110.33747	0.8
111.00893	3.2
112.66935	1.0
113.02447	3.5
115.00373	3.3
119.05029	3.3
121.02916	1.0
128.03477	0.9
129.01974	7.3
130.26857	0.8
131.03497	2.5
133.01442	4.2
134.03722	2.0
137.02457	1.2
147.03015	7.7
149.04539	3.3
149.06052	1.5
152.06651	0.8
157.01366	1.1
163.04004	2.9
165.05774	0.9
168.91608	0.8
173.00938	1.8
175.02493	6.3
181.01782	1.1
191.01993	27.1
193.01382	2.8
193.05072	1.6
209.03041	49.1
210.03311	2.7
237.04063	1.4
355.06570	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	354.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43660	0.4
55.01872	1.1
58.02972	1.1
59.01374	2.1
61.98842	0.4
66.03495	0.9
67.01891	0.9
69.72305	3.0
70.02995	1.3
71.01378	2.2
73.02916	0.5
74.02474	0.9
82.02987	6.7
82.06633	2.3
83.01401	0.4
83.05035	0.4
84.04562	0.7
84.08192	0.8
85.02950	1.6
94.03024	1.8
96.00930	0.7
96.04558	1.5
97.06582	0.6
98.20598	0.6
99.01998	0.4
100.07709	1.9
102.05613	0.9
104.03589	0.8
105.91078	0.4
107.02533	1.7
109.04104	4.3
110.02511	0.9
111.03254	0.5
112.04066	3.3
114.09252	0.4
115.00336	0.7
119.04943	0.4
123.03259	0.7
126.09245	3.3
127.05157	10.2
128.03558	2.8
130.08757	87.7
131.09093	2.3
134.09801	0.5
135.04619	0.5
136.04074	1.0
136.11320	3.4
138.09286	0.6
140.07210	0.7
141.10362	1.8
152.10793	1.0
152.24997	0.4
154.99879	4.9
155.10809	0.5
162.09259	0.7
165.07961	0.8
168.09021	0.9
169.09833	1.7
179.11909	4.5
180.10318	12.4
181.10757	0.9
181.12306	0.5
182.15488	1.1
184.87769	0.4
195.07776	0.9
195.11433	1.8
197.11224	0.9
197.12962	12.1
197.14806	0.7
199.18159	7.6
209.16608	2.8
210.16801	0.4
222.12474	2.0
223.10880	40.7
224.11186	3.0
225.16072	1.2
232.34918	0.5
243.17125	0.8
249.19774	0.4
253.14311	0.8
265.62149	0.4
273.07736	1.3
274.08014	4.1
292.20300	1.1
310.21371	10.8
311.21747	0.9
341.71451	0.4
350.11929	0.4
354.20334	100.0
355.20691	11.2
355.24759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03441	2.1
59.01381	100.0
60.01695	1.2
61.98830	3.3
68.01405	1.5
69.76025	3.6
69.76455	3.8
71.01385	44.7
72.99316	1.5
73.02956	18.5
83.01388	6.6
85.02957	21.5
87.00871	1.3
89.02455	3.4
95.01384	2.6
97.02969	1.4
99.00314	0.9
99.00888	4.7
101.02454	28.1
107.05006	1.4
113.02473	19.2
114.02852	1.0
115.00344	1.8
119.05043	1.3
125.02404	1.1
129.01956	1.9
133.01407	2.5
135.04576	1.1
143.03529	3.8
159.03021	5.5
159.04269	0.8
161.04578	95.2
162.04901	3.8
188.05663	11.7
191.02094	1.1
193.05092	1.2
195.20143	1.2
205.03584	3.2
209.03069	1.2
223.04356	0.9
233.61055	1.0
267.06586	0.9
294.09839	1.8
327.07401	0.9
354.11877	1.3
363.54196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51756	0.4
55.01878	1.2
56.58706	0.3
57.50679	0.4
58.02971	0.7
59.00241	0.4
59.01384	2.4
62.47801	0.4
67.01894	0.8
67.03036	0.4
70.02977	1.2
71.01389	3.0
71.72417	0.5
72.00938	0.7
74.02482	2.7
80.05071	0.8
82.02996	6.5
83.01408	0.5
84.04562	0.8
85.02962	1.8
87.00909	0.5
94.03011	2.1
96.00896	0.5
96.04585	0.8
98.02526	0.7
98.73180	0.4
99.00890	0.4
100.07712	1.8
101.09751	0.4
104.03545	3.5
107.02555	1.0
109.04104	2.5
110.02476	0.9
111.03252	0.9
111.09322	0.5
112.04063	1.7
114.09211	0.4
115.00395	0.9
116.03598	0.7
120.68379	0.4
125.03585	0.9
126.09284	1.2
127.05160	7.8
128.03545	1.5
129.01984	0.5
130.08760	100.0
131.09116	4.1
133.01505	0.6
134.03770	0.5
135.04475	0.7
136.11327	3.2
139.08737	0.6
140.07196	0.9
141.10358	1.7
146.04617	0.8
150.05646	0.5
152.10725	0.5
154.99883	5.8
155.10814	0.5
161.18338	0.4
165.08022	0.5
168.09044	2.4
169.09871	4.6
179.02199	0.7
179.11888	3.7
180.10320	10.8
180.11920	0.5
181.12425	0.4
195.07826	0.5
195.11392	1.9
197.12964	11.6
199.18185	5.5
209.02983	0.5
209.16655	2.9
222.12553	2.5
223.10886	36.0
224.11209	2.6
225.16202	1.1
238.03625	1.9
243.17075	0.6
252.07553	0.8
253.14250	3.2
254.14554	0.5
264.77057	0.4
274.58356	0.4
280.07159	0.5
292.20276	1.1
310.17648	0.7
310.21347	9.1
311.21539	0.5
319.94940	0.4
324.06113	0.9
339.08453	0.6
354.20343	95.7
355.12326	1.1
355.20740	11.2
355.24890	0.4
378.22467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90758	2.1
56.37771	2.4
59.01377	100.0
65.99845	9.0
70.13960	2.4
71.01379	31.7
72.99313	62.7
73.02937	9.3
77.70290	2.2
83.01400	3.2
85.02956	8.3
89.02460	5.9
90.37213	2.4
101.02439	8.9
107.05087	2.9
109.02949	3.5
109.04053	3.2
111.00874	6.5
113.02478	4.4
115.00383	39.8
121.02954	5.0
123.04545	6.9
132.04575	4.2
133.01447	76.0
133.02492	3.6
133.03011	6.9
134.03729	4.0
135.04553	25.3
137.02451	6.8
140.09778	2.2
144.04523	4.2
146.02504	15.3
146.04620	2.9
146.06119	3.0
147.03259	9.1
147.04524	25.3
148.04019	11.9
148.64001	2.6
149.02446	4.9
149.06075	8.6
150.05602	10.3
151.03989	8.6
160.04033	10.5
161.04515	6.1
162.05630	8.4
165.05568	4.9
174.05620	43.9
175.06152	2.6
178.02704	7.8
179.03493	3.7
191.01912	7.6
191.03627	4.2
191.05603	9.6
192.03018	5.8
192.06659	19.4
193.05025	4.4
202.05063	2.7
214.05103	3.3
218.04512	18.1
236.05635	77.6
237.05933	3.0
253.19078	2.6
265.11905	6.8
293.15985	8.5
351.98993	3.6
352.10449	14.5
352.16891	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	352.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22563	0.2
54.27843	0.2
55.01873	0.9
59.01384	2.5
59.95518	0.3
66.39423	0.2
70.12097	1.0
71.01381	3.2
72.99316	0.4
73.02930	0.3
78.89458	0.2
83.01380	0.8
83.08141	0.2
85.02963	0.8
87.00881	4.1
96.96043	0.2
104.05065	0.5
106.06640	100.0
107.06276	0.4
107.06970	4.6
111.00903	0.6
113.02461	0.8
115.00389	7.6
118.06667	0.4
127.00368	0.3
130.06644	0.3
130.08749	0.9
133.01372	0.3
136.97470	0.2
139.00363	0.3
142.99875	0.3
145.09247	0.4
146.06201	0.3
150.05632	46.3
151.05980	2.2
154.99893	2.3
157.01437	1.9
164.07198	1.7
175.02501	11.3
176.02762	0.3
192.06671	1.3
194.04594	62.1
195.04948	3.6
234.04184	0.3
236.05597	2.0
308.07657	0.7
352.06747	21.9
353.07013	2.7
353.10562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28714	2.0
59.01376	30.4
65.99857	9.0
69.64643	13.5
69.65070	4.8
71.01394	33.3
72.99314	89.9
73.02956	5.5
73.99654	2.2
83.01389	2.0
85.02959	8.5
87.00900	3.5
89.02431	2.0
98.02514	3.4
99.00883	3.3
101.02447	3.4
107.05044	2.6
109.02983	6.7
111.00872	4.2
113.02502	2.3
113.96365	2.0
115.00391	57.1
119.03235	2.0
119.05012	3.2
120.04565	2.1
121.02972	7.6
123.04530	7.1
128.03491	2.2
131.03777	2.8
132.04572	3.2
133.01453	100.0
133.02921	11.4
134.01733	3.0
134.03764	6.2
135.04550	37.4
137.02483	9.7
146.02489	6.7
146.04742	2.3
146.06030	5.3
147.03322	5.7
147.04523	43.9
148.04070	11.9
149.02495	2.6
149.06099	11.1
150.05611	7.9
151.04010	9.1
160.04079	5.8
162.05617	14.3
163.04007	2.9
165.05566	10.0
174.02005	2.3
174.05620	57.6
175.05997	4.0
176.03519	2.9
177.02031	2.4
178.02753	5.3
191.01973	3.7
191.03571	4.3
191.05518	2.5
192.03056	9.9
192.06714	27.5
193.05092	5.5
193.06952	2.8
209.04539	3.2
211.56506	2.0
214.13835	2.2
218.00966	4.0
218.04594	27.2
219.04823	2.3
236.02016	3.9
236.05640	93.8
237.05902	8.3
239.68703	2.1
289.02811	1.9
293.16116	3.0
298.64511	2.0
337.42801	2.2
351.98856	2.9
352.06638	9.9
352.10501	5.5
352.16965	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42368	0.5
59.01379	100.0
60.01719	1.1
65.18391	0.5
70.15488	2.7
84.08629	0.5
92.39247	0.5
137.39746	0.5
188.94202	0.5
203.11122	1.1
220.29431	0.5
248.74295	0.5
263.13156	0.7
351.14981	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	351.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77145	0.2
57.76760	0.2
59.01381	100.0
60.01723	1.4
61.98840	0.7
69.29974	0.2
70.32570	0.2
71.01393	0.8
71.72578	0.2
73.02966	0.5
83.01432	0.3
85.02956	0.3
91.51876	0.2
96.96023	0.4
101.02473	1.0
113.02453	0.4
122.15273	0.2
130.04063	0.2
161.04579	0.3
291.18161	2.6
292.18665	0.3
301.87479	0.2
351.22009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45388	0.4
59.01379	100.0
60.01715	1.9
62.89920	0.5
69.62224	0.5
69.62556	4.5
71.01391	8.3
73.02953	1.6
76.85196	0.4
83.01412	0.7
85.02939	2.8
87.00901	0.5
88.66940	0.4
89.02455	4.1
91.99043	0.4
94.94039	0.5
95.01414	0.6
98.02511	0.5
99.00922	0.6
100.04091	0.9
101.02453	6.1
102.90285	0.5
111.96893	0.4
113.02493	3.5
119.03545	1.6
144.03081	1.7
159.03102	1.0
161.04587	2.9
172.18839	0.6
175.73743	0.6
189.15033	0.6
248.10895	0.6
350.52109	0.5
351.16269	0.6
351.20264	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	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01708	0.8
61.98833	16.1
67.06149	0.7
69.64968	6.1
71.01389	2.5
73.02953	1.2
75.49459	0.6
85.02962	1.2
87.00887	1.5
96.96052	0.7
104.71414	0.7
115.00484	0.9
119.05103	0.9
130.08775	1.1
133.01486	1.4
134.03769	1.5
145.47147	0.7
150.05643	4.0
163.04141	0.9
175.02559	1.5
193.05162	1.3
194.04628	3.9
289.12363	3.3
292.70996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2749
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
50.67321	0.3
61.98825	0.6
63.62072	0.2
71.00085	0.6
96.96043	0.5
193.38800	0.2
250.44905	0.3
265.14841	0.7
280.59601	0.2
349.27472	100.0
350.27811	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	350.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83625	1.1
55.01886	1.5
55.42650	0.9
56.60852	1.1
57.03440	1.3
59.01381	42.9
60.01691	1.5
61.98834	65.1
62.34392	0.9
71.01388	3.7
71.08091	1.5
71.08425	2.1
75.54808	0.9
83.01372	1.0
84.04473	1.0
88.52234	1.0
88.56434	0.9
96.95992	1.5
106.06641	2.9
115.00384	1.4
128.72708	1.1
133.01405	1.2
135.04547	1.3
146.83807	1.1
154.99835	2.9
165.12918	1.2
194.04614	1.1
207.13824	1.6
209.11894	4.7
225.15033	2.4
227.12895	27.1
228.13222	1.8
269.13760	4.0
287.15005	100.0
288.15393	9.5
291.31540	1.0
350.19031	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	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21786	0.3
59.01387	0.3
61.98830	100.0
62.98542	0.4
63.99251	1.0
71.20424	0.7
77.99094	0.3
89.98002	0.3
90.04649	0.3
91.77176	0.3
96.72305	0.3
102.36332	0.3
124.01736	0.3
162.98492	1.3
204.00005	1.4
205.00139	4.1
205.99750	4.7
206.97458	64.6
207.97543	4.7
248.87199	0.4
277.36792	0.5
277.86630	0.4
278.36624	0.5
282.78928	0.3
317.84302	0.6
348.31995	0.5
348.81702	1.7
348.98535	0.5
349.31665	0.4
349.81812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0025
Annotation	Apigenin 7-sulfate
Peak:m/z	Relative Intensity
59.01089	0.5
59.01378	8.7
61.62709	0.2
61.98831	0.2
70.73866	0.4
70.74267	0.5
96.96033	0.2
115.15674	0.2
133.62695	0.2
181.06546	0.6
197.06068	0.7
210.03230	0.5
213.05579	0.2
224.04768	0.3
225.05583	8.4
226.05945	0.9
227.03615	0.3
241.05058	2.8
242.05453	0.3
269.04535	100.0
270.04852	9.1
283.90588	0.2
349.00089	1.3
350.00394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87552	0.3
59.01382	100.0
60.01718	1.3
61.98838	0.9
64.35664	0.3
70.75508	0.7
70.75877	0.4
71.01382	2.0
85.02956	0.4
88.04087	0.4
89.02464	0.7
101.02477	1.0
113.02505	0.5
115.00429	0.3
135.04579	0.4
148.07721	0.6
161.04578	0.5
165.02042	0.3
261.12054	0.3
349.19287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.162
Annotation	Glu-Ile-Ser
Peak:m/z	Relative Intensity
53.08548	0.9
55.50260	1.2
58.02975	29.9
59.01368	5.8
69.05278	1.3
69.91640	7.7
71.01375	5.4
72.00922	2.1
72.99326	1.0
73.04079	11.5
74.02480	49.7
76.08211	1.1
78.95914	32.3
80.59695	0.9
82.06660	1.4
86.02481	7.6
87.00879	1.4
87.05634	2.0
96.96963	6.9
97.04095	2.2
98.02494	8.2
99.00886	1.1
99.05660	1.9
103.82266	1.1
104.03554	31.6
108.08214	1.8
112.02791	1.4
113.02477	1.1
115.00385	4.4
115.05158	10.5
116.00730	1.3
116.03542	1.8
122.09784	1.3
126.09269	3.4
128.03607	1.7
130.08788	6.9
133.01456	4.2
134.01755	1.3
134.04742	3.6
137.02429	1.7
138.09230	1.5
139.08778	1.8
140.07150	2.1
141.10344	3.9
143.11906	23.2
145.06175	2.2
150.02786	1.5
151.04088	1.3
151.08804	1.3
152.07181	18.5
153.10368	4.7
155.11926	32.9
156.12289	1.5
167.11960	2.5
168.10233	1.5
169.09839	9.8
171.11458	2.7
173.13011	3.7
179.11928	1.5
181.09911	1.8
182.08250	7.9
185.12952	2.5
187.10901	11.0
200.14061	36.9
201.14346	1.8
211.00311	1.1
211.10883	10.8
212.05048	1.2
212.14050	16.8
223.10881	2.7
224.09467	1.2
224.14099	2.0
229.11920	9.8
230.15109	4.8
241.11903	3.0
242.15083	3.7
254.15106	22.6
259.12933	10.9
266.14883	1.4
267.10049	1.4
272.16156	2.6
284.16187	1.3
286.14090	40.1
287.14462	2.8
298.14066	7.1
316.15155	53.2
317.15482	5.2
328.15097	7.7
346.05594	11.2
346.16193	100.0
347.16623	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	347.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42543	16.0
55.32563	16.8
59.01377	83.9
61.98817	44.8
67.17281	16.2
70.59838	62.8
70.60211	29.2
78.95937	25.9
82.91366	15.7
99.00887	16.7
203.33600	18.2
211.13306	26.1
222.13893	16.8
224.75142	18.8
293.21173	100.0
294.21490	26.0
347.18387	19.7
347.22260	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.0
61.98833	55.2
71.72041	16.4
74.45254	10.9
78.95916	100.0
89.02415	14.3
96.96965	38.9
99.92607	17.5
171.10295	18.2
186.01923	10.5
211.13527	16.8
230.32654	11.4
291.19623	50.3
309.20660	25.4
345.25696	25.4
346.05521	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08090	0.1
59.01376	6.0
60.01710	0.6
61.01814	0.1
61.98830	100.0
62.98528	0.3
70.00694	0.1
71.71745	0.1
76.42193	0.1
82.36671	0.1
86.94201	0.1
119.26778	0.1
157.03653	0.1
159.01488	0.1
159.03307	0.1
161.01241	0.2
199.23103	0.1
201.02556	1.1
201.69820	0.1
201.89333	0.1
202.02730	2.6
203.02289	3.0
203.99997	49.5
205.00162	4.2
228.26552	0.1
243.74683	0.1
249.12958	0.1
346.00964	1.4
347.01141	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	346.0558
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
50.42838	0.2
57.03434	0.4
59.01391	0.3
61.98835	0.6
62.96398	0.3
64.63699	0.2
71.01382	1.3
71.11108	0.3
71.11445	0.4
78.95909	100.0
79.30101	0.2
83.01366	0.2
85.02979	0.3
96.96973	23.7
99.00882	1.1
107.03636	0.9
111.00888	0.6
112.98837	1.8
113.41813	0.2
117.00431	0.2
120.95631	0.2
129.01950	0.6
134.04749	14.1
135.05084	0.6
138.98090	1.1
142.99892	2.6
144.99982	0.2
150.98061	2.6
165.41994	0.2
173.00938	2.1
173.09337	0.6
192.99077	0.8
211.00150	3.3
346.05585	30.8
347.05951	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	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01884	1.3
57.03447	0.9
58.00602	3.2
59.01381	100.0
60.01710	1.0
61.98833	2.7
65.70988	0.7
71.01385	37.7
71.72683	1.0
72.99323	2.9
73.02961	2.4
74.02504	0.9
78.95931	1.4
83.01390	1.6
85.02967	7.0
87.00887	1.7
87.02767	2.9
88.04103	0.8
89.02453	30.7
92.50514	0.7
92.80642	0.7
93.03483	2.8
95.01408	2.5
99.00887	1.0
101.02459	22.5
106.06657	1.0
109.04085	1.2
113.02464	13.0
114.01429	1.1
115.00379	1.2
119.03515	15.4
119.04991	3.9
120.99683	2.1
121.10246	6.7
122.06128	0.9
124.07749	1.7
127.05129	1.9
130.08771	1.3
132.04576	9.3
133.01500	1.4
133.05383	5.7
133.06290	0.9
134.06128	1.0
143.03572	1.7
149.04628	1.2
149.06102	3.6
156.05760	0.7
161.04593	1.9
163.04028	1.0
165.04343	6.5
165.09219	8.0
169.06653	2.8
177.04355	1.1
179.05664	2.1
182.07384	7.0
183.08171	2.2
183.10300	2.4
185.09778	1.8
186.09286	1.3
187.09740	0.9
193.05116	0.9
195.08183	2.5
196.09000	0.7
197.09743	36.0
197.56688	0.6
198.10081	4.1
209.03322	0.8
211.11273	5.0
212.11877	0.9
213.06891	0.9
213.12851	8.3
214.12544	1.9
215.12004	1.6
220.31389	0.7
227.10835	3.4
227.12825	1.3
229.09811	0.9
241.08669	13.5
242.09026	2.0
245.11903	2.1
257.11667	14.1
258.12274	1.9
259.13702	6.3
283.11008	2.7
301.03656	1.4
301.10855	21.7
302.11368	2.5
345.10974	19.5
345.15643	55.1
346.11191	2.5
346.16309	6.3
346.25867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.0
61.98825	2.3
62.17488	0.7
67.95430	0.7
71.01392	6.8
71.71811	0.7
71.72197	0.8
73.02943	1.1
74.02477	4.8
78.95927	1.9
80.15982	0.7
83.01419	1.1
84.04554	1.4
85.02955	3.3
87.00903	0.7
89.02454	3.5
93.03461	1.6
94.02982	1.4
94.06639	2.4
95.03791	3.2
96.04541	0.6
96.08204	1.2
96.96024	1.6
101.02466	2.7
104.05103	1.9
105.03584	0.6
106.06636	6.5
112.04053	1.2
113.02449	2.3
115.00380	2.8
116.03533	1.5
117.03886	0.9
119.03517	2.0
119.05053	8.3
121.02979	1.5
121.10240	2.3
122.06133	3.8
123.03275	1.3
124.07671	7.4
130.08749	1.2
132.04579	46.6
133.01440	3.9
133.05380	24.3
134.06177	6.6
136.04019	0.8
138.05620	1.8
139.07661	0.6
148.04095	1.9
149.06105	1.5
150.05650	3.8
157.01485	0.9
157.06636	2.0
161.04642	1.0
161.06067	1.1
163.04068	2.5
163.82509	0.6
165.04330	35.3
166.04715	1.3
169.06693	0.9
176.03552	1.5
176.07196	1.3
177.04323	5.0
178.05095	2.4
178.99857	1.9
182.07381	1.7
184.07668	1.3
185.06091	5.4
185.11847	0.8
186.09276	5.0
187.08693	0.9
189.05571	0.9
193.05070	1.5
197.09737	8.5
197.11455	1.0
198.03151	1.1
198.09235	1.3
201.05640	1.7
209.03339	8.7
211.03963	4.5
211.11348	1.2
213.05305	1.3
213.06818	3.0
213.12883	2.7
214.02766	1.9
214.12440	7.8
215.11876	9.4
216.12250	0.7
226.07475	1.4
227.12914	0.8
229.05142	4.3
229.09830	4.1
239.03546	1.1
240.04298	0.9
240.10283	2.4
241.09706	3.1
242.02197	3.6
255.11432	1.6
257.04529	4.1
257.13000	35.4
258.13422	3.4
267.07990	0.8
283.10928	10.4
285.15125	0.9
301.00113	1.0
301.03574	21.5
301.11942	29.4
302.03964	2.0
302.12296	3.2
309.14691	1.3
327.09958	2.7
345.02460	2.9
345.10947	100.0
346.11169	9.4
362.34348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01371	1.9
60.97939	0.5
61.98826	2.4
64.03160	0.6
69.25019	0.6
69.64213	5.2
71.01373	0.6
87.00895	0.8
98.20571	1.4
99.08133	0.7
100.79928	0.5
121.10239	9.4
125.09737	1.2
127.11291	1.7
137.09741	1.7
139.11304	2.8
144.44783	0.7
146.96634	1.2
153.05302	0.6
153.09238	0.8
165.09183	1.2
171.10286	58.3
172.10641	2.6
211.13451	0.7
212.54881	0.6
247.09752	0.6
273.99777	0.6
293.21115	0.8
343.24890	100.0
344.25244	13.1
350.80725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01387	3.6
60.06451	0.4
61.98817	0.8
69.78852	3.4
71.01386	1.5
71.37653	0.5
78.95905	0.6
80.05067	0.5
84.04572	0.9
86.10279	0.5
94.02983	0.8
95.03777	1.8
96.04594	0.5
96.08239	0.9
98.19860	0.6
99.09180	0.5
99.73481	0.5
104.05083	1.1
106.06660	3.9
108.50762	0.5
118.25848	0.5
120.01260	0.6
120.81078	0.4
121.02938	0.5
121.10171	0.5
122.06134	2.4
123.03241	0.5
124.07705	6.5
125.08022	0.5
132.04575	33.9
133.05374	20.2
134.06189	5.9
135.04532	0.6
138.05621	1.0
145.37163	0.5
146.02557	0.5
148.04089	1.5
150.05626	1.7
165.04333	21.8
166.04691	0.8
176.03604	1.1
176.07004	0.5
177.04346	4.1
178.05095	1.9
184.07684	0.7
185.08479	0.6
186.09261	4.2
187.08730	0.8
197.09738	1.5
198.09267	0.6
209.03305	4.3
213.06746	2.5
214.12399	6.9
215.11888	7.5
216.12180	0.8
226.07423	1.6
227.08275	0.6
227.13007	0.5
229.09787	4.5
230.10013	0.7
239.11911	0.5
240.10233	1.7
241.09859	3.4
255.11330	1.0
257.12973	21.3
258.13327	2.4
267.07834	0.5
283.10889	7.3
284.11209	0.8
301.03516	1.0
301.11969	16.7
302.12253	1.4
327.09659	1.3
345.10941	100.0
346.11212	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03437	0.5
59.01378	2.0
61.98824	1.0
69.03464	1.8
70.57436	0.8
71.01384	0.3
81.03452	0.5
83.05027	1.4
85.02981	0.3
89.30101	0.2
95.05030	0.3
97.06612	1.0
99.08168	10.6
100.08518	0.3
109.06621	0.3
111.08163	0.4
125.09735	2.3
126.25542	0.2
127.11309	0.4
129.09258	0.3
137.09737	1.3
139.11270	0.5
149.13356	0.6
151.11317	0.5
163.11284	0.4
165.12854	1.3
171.10277	5.4
172.10689	0.3
175.11256	1.2
176.11800	0.2
185.11893	0.5
186.03119	0.2
193.01425	0.4
193.12344	18.1
193.25945	0.2
194.12709	1.6
195.19031	0.2
197.15442	0.9
211.13406	4.1
212.13797	0.4
225.14963	24.6
226.15309	1.5
241.14465	0.3
243.15997	7.6
243.18536	0.4
244.16376	0.7
270.01855	0.3
275.20337	0.3
283.06067	0.4
293.21194	2.0
298.01160	0.4
300.96552	0.2
307.22754	0.3
311.05710	0.3
311.22354	1.2
313.03531	0.8
314.61383	0.2
320.80872	0.2
325.23886	1.8
328.05853	0.7
343.08298	1.0
343.24887	100.0
344.25223	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	343.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31876	0.6
58.79094	0.7
59.01382	3.3
61.98822	2.2
69.03455	1.4
70.45795	1.2
70.46195	1.4
82.40741	0.6
83.05027	1.2
92.42637	0.6
93.15771	0.6
96.41080	0.6
97.06603	1.0
99.08162	7.3
121.02963	2.0
121.10223	2.2
125.09728	0.8
126.96474	0.5
137.09737	1.7
139.11288	2.1
146.96564	0.9
153.09119	0.6
165.12820	1.2
165.69424	0.6
171.10281	22.2
172.10547	1.3
175.11290	0.6
179.03528	1.5
179.41640	0.6
193.12350	10.9
211.13370	2.3
225.14963	16.1
226.15321	1.7
243.15947	6.0
256.90714	0.6
293.21185	2.2
299.05014	0.8
325.23801	1.2
343.24890	100.0
344.25278	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	343.1405
Annotation	Taxuside
Peak:m/z	Relative Intensity
52.35206	0.6
54.97151	0.5
55.01872	0.7
57.03443	0.6
59.01085	1.1
59.01379	18.8
61.98835	0.5
69.03471	0.6
71.01386	7.7
71.70986	0.6
72.00906	0.7
72.99310	1.9
73.01182	0.9
73.02949	2.2
74.02475	3.6
81.03474	0.9
83.01406	0.8
85.02950	3.5
87.00906	1.1
88.04069	0.7
89.02457	1.6
93.03453	3.2
95.01380	0.6
95.05036	0.9
97.02940	1.0
97.13103	0.5
99.00896	0.8
99.04536	1.7
101.02480	2.6
107.05042	2.3
108.02187	1.5
109.02967	14.5
109.06603	3.8
111.00911	1.0
113.02461	2.2
114.05595	0.7
115.00401	2.7
119.05033	4.5
120.01300	0.9
121.02963	7.4
121.06654	0.8
122.03754	2.1
123.04549	4.8
125.02469	0.9
127.05144	1.1
129.10361	2.0
133.01494	3.3
133.02925	0.9
133.06621	0.6
134.03810	0.7
134.04758	0.6
135.04539	13.1
136.01657	0.6
136.05330	25.4
137.02448	1.2
137.06110	30.0
138.06453	1.7
139.04033	1.0
140.77113	0.6
143.03548	0.8
145.06638	1.4
148.05347	3.6
149.02429	0.5
149.06126	3.9
150.03294	0.7
150.05640	1.1
150.06879	23.0
151.04082	1.5
151.07680	13.7
154.99866	0.8
161.04681	0.9
161.06111	2.5
162.06882	26.7
163.04082	0.6
163.07669	24.2
164.08014	1.6
165.05603	8.5
165.09131	0.6
166.06332	2.2
167.07130	3.9
177.05699	0.7
178.06418	0.7
179.03558	3.1
179.05678	0.7
179.07126	0.8
180.04356	1.6
180.07941	60.1
181.05099	91.8
181.08707	100.0
182.05406	6.2
182.09048	6.5
189.05592	1.1
193.08717	0.9
195.03058	0.6
195.06708	0.5
205.08754	0.8
223.09798	1.5
226.06357	0.7
227.05495	0.9
227.07419	1.0
228.14275	0.6
237.09167	0.6
253.07143	1.5
255.10225	9.0
256.10605	1.2
299.09396	1.5
299.14471	1.0
300.16019	0.6
300.19415	1.8
343.10315	6.7
343.14111	4.6
343.20001	2.0
344.10455	0.7
344.14221	0.9
344.22070	1.1
363.13513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36176	0.2
55.49694	0.2
59.01380	78.5
60.01700	0.8
69.98243	1.1
99.39766	0.2
101.54164	0.2
115.02535	0.4
117.00455	0.2
157.03589	5.6
158.03749	0.5
158.90630	0.2
159.01523	3.3
160.01654	0.3
187.39851	0.2
198.91812	0.2
199.91953	0.2
201.02576	100.0
201.89359	0.3
202.02731	10.7
343.03748	3.5
344.03821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19376	0.9
57.03450	0.9
59.01379	67.9
60.01717	1.3
61.98814	1.3
68.40086	0.9
71.01379	8.7
71.72861	0.8
71.73235	1.2
72.99326	0.8
73.01822	0.8
73.04082	1.3
74.02480	0.9
79.39758	0.9
82.02977	1.5
85.02962	2.1
85.54797	0.8
89.02450	2.4
93.03477	5.3
96.00935	1.2
98.02493	2.9
101.02457	2.7
107.05043	1.6
108.02201	8.5
109.01810	1.1
109.02979	22.7
110.02511	1.3
113.02465	3.0
115.00399	7.6
119.03542	1.0
119.05047	3.9
120.01234	0.9
121.02971	100.0
122.03146	1.4
122.03773	3.9
123.04546	3.7
124.01698	1.2
126.05618	1.3
130.08752	15.6
133.01450	3.3
133.02994	1.0
133.06607	6.0
134.03769	1.1
135.04539	19.7
136.05304	8.0
136.07689	1.1
137.02458	2.6
137.06096	1.5
138.09224	2.5
145.02933	1.1
145.06580	1.6
146.03654	1.2
147.04523	2.0
148.05370	0.9
149.06061	2.5
151.03975	1.7
152.07161	4.1
154.02708	1.3
156.50000	1.0
157.13493	2.5
159.04590	1.1
161.06114	2.9
163.03999	3.3
179.03496	13.8
180.04315	15.4
181.05019	4.5
181.08672	1.6
185.08226	0.9
185.16617	3.5
197.05887	0.9
211.14632	1.1
212.10837	1.4
213.09035	1.4
214.15623	2.0
221.16621	1.3
225.05334	0.9
225.11308	2.6
226.06346	10.8
227.03831	2.3
227.07204	10.2
228.07529	1.8
229.15611	2.0
234.04221	0.9
237.09155	2.4
238.87865	0.8
239.07108	1.7
247.14581	1.9
253.08757	3.5
255.10245	75.1
256.10565	6.6
265.15604	1.3
293.27469	1.1
299.09784	3.1
299.16296	4.3
300.15698	7.0
309.14548	14.3
326.17215	9.8
343.08917	11.0
343.20035	3.6
344.08963	1.0
344.18231	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	342.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05563	0.4
54.31946	0.5
57.97559	1.2
58.02979	0.6
59.01384	2.6
59.99124	0.4
60.01711	0.5
60.97533	13.3
61.98828	0.6
71.01389	1.0
71.72695	0.8
72.97536	2.0
73.61772	0.4
73.98317	0.8
74.02500	0.5
74.99109	1.7
75.00876	3.1
75.26488	0.4
75.68430	0.5
78.97293	0.5
81.06371	0.5
85.45201	0.5
87.98637	35.9
88.99430	3.0
89.02462	1.5
91.05544	3.6
94.06627	2.7
99.68831	0.5
101.02422	0.6
102.02812	0.5
110.56251	0.5
116.05048	0.7
119.03557	0.6
119.05073	0.6
130.08757	1.5
135.01973	1.0
135.03018	19.5
135.04535	0.9
146.06120	5.2
148.04099	2.7
152.07217	0.7
154.99854	0.7
160.04082	1.4
162.03850	0.8
178.03348	0.6
178.85904	0.5
179.03522	0.6
180.04910	100.0
181.05182	4.5
255.11342	2.6
299.10367	2.3
310.08319	0.5
342.06598	5.8
342.10748	0.9
342.20331	2.1
343.09467	1.2
343.21191	1.2
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
52.00127	0.3
59.01378	8.4
61.98819	1.1
66.96437	0.4
69.03465	1.7
71.01389	6.4
71.45056	0.7
73.02949	0.4
77.50904	0.3
83.05025	0.5
84.02174	20.6
85.02502	0.7
85.02969	1.0
86.64159	0.4
87.00869	0.7
89.02449	6.6
95.01425	0.5
97.02345	0.4
97.02971	7.6
97.06601	1.2
99.04521	4.9
101.02455	3.0
106.90607	0.4
110.03699	0.4
113.02482	2.0
119.03525	2.2
119.08693	2.6
121.02993	0.4
125.09700	1.0
127.11298	1.7
131.03433	0.6
135.08156	2.2
137.09738	1.7
143.03563	0.9
144.24110	0.4
153.09256	0.4
161.04596	0.9
163.01047	0.4
171.10292	60.3
172.10654	3.0
179.05630	3.1
181.70076	0.4
193.12354	1.2
211.13394	0.4
221.11780	0.5
225.15024	1.8
243.15871	0.7
253.14450	0.9
291.19580	1.3
323.22195	0.4
335.58728	0.4
341.10947	4.4
341.23340	100.0
342.23672	11.6
342.27893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03450	1.0
57.97550	1.7
59.01380	28.0
59.20562	0.9
60.01725	1.8
60.97527	11.8
61.98828	3.3
66.88603	0.8
71.01383	9.8
71.44389	1.6
72.01731	1.4
72.97532	1.4
72.99310	2.1
73.98286	1.0
74.02463	1.3
74.99109	2.1
75.00882	15.1
85.02966	1.4
86.88637	0.8
87.98637	30.5
88.99426	1.3
89.02446	9.1
90.02793	2.0
91.05550	3.0
93.03448	1.3
101.02454	3.1
102.02787	1.3
104.03575	0.7
107.16331	0.7
113.02463	1.5
114.02802	1.2
115.00362	1.3
115.08803	6.9
119.03524	2.1
119.05040	1.8
120.99668	1.7
121.03011	1.4
130.08762	2.0
133.01509	1.3
135.03027	51.8
135.04514	9.1
140.07243	1.2
146.06154	4.1
154.99883	1.0
163.04048	1.0
178.03352	1.7
179.03555	5.5
179.05650	1.4
180.04906	100.0
181.05284	6.2
224.09248	1.5
255.10292	1.8
256.07047	0.9
256.20206	1.1
266.08798	0.8
266.22311	1.6
342.06827	1.7
342.11227	4.9
342.20193	2.9
342.23969	1.6
343.08261	1.2
343.12036	1.7
343.21085	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04387	0.3
57.03432	0.4
58.95998	0.3
59.01387	3.7
62.80047	0.3
64.17416	0.3
67.01875	0.3
69.03458	2.8
70.76579	0.2
71.01385	1.5
71.27319	0.7
81.03452	0.3
83.05016	1.3
84.02162	0.9
89.02454	1.6
95.04974	0.4
97.02942	0.7
97.06601	11.1
99.04551	0.4
101.02441	0.9
111.08179	0.7
113.02493	0.4
119.03518	0.5
123.08235	0.4
125.09721	1.9
137.09731	1.3
149.13333	0.6
155.10806	0.4
163.11276	0.4
165.12891	0.9
171.10284	6.7
175.11281	1.2
177.12825	0.5
179.05618	0.8
185.11865	0.7
193.12347	17.3
194.12700	1.1
197.11803	0.4
197.15504	0.8
209.11946	0.4
211.13446	3.4
221.11911	1.2
225.14966	21.5
226.15404	1.7
243.15985	8.5
244.16307	0.9
253.14499	1.0
291.19681	1.3
305.21283	0.6
323.22366	1.2
341.23328	100.0
342.23651	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	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03463	1.1
58.00585	1.1
59.01379	31.4
60.01718	0.7
60.99308	2.9
71.01388	24.0
71.27974	1.5
72.99306	3.1
73.02957	1.3
75.00882	18.1
78.95908	2.9
83.01373	0.9
85.02975	3.7
87.00887	2.5
88.98814	19.0
88.99335	1.4
89.02454	30.0
94.71444	0.6
95.01445	0.8
99.00908	1.4
101.02455	10.0
104.66945	0.7
113.02465	9.2
117.01964	2.0
119.03521	8.6
131.03574	1.2
133.10248	0.7
135.03017	100.0
135.11823	7.5
136.03371	2.6
137.06108	2.0
143.03531	2.6
154.61943	0.7
161.04591	2.9
179.05638	11.2
179.10788	41.2
180.11115	3.7
203.03624	0.9
223.09758	9.0
224.10143	0.6
241.01192	0.7
263.15405	0.7
274.68781	0.7
286.30634	0.7
287.22293	1.4
309.07584	0.8
334.58154	0.7
341.10883	16.9
341.19598	1.6
342.11166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03459	1.4
58.00584	4.6
58.53950	0.6
59.01381	100.0
60.01725	1.4
68.95954	0.6
69.68171	2.3
69.68597	3.0
70.38345	0.6
70.89225	0.7
71.01388	75.7
72.01726	1.2
72.99314	4.1
73.02961	2.1
83.01396	2.6
83.01855	0.7
85.02964	8.7
87.00883	4.7
89.02453	85.6
90.02821	1.5
94.60068	0.6
95.01402	4.3
98.20683	1.2
101.02457	35.9
107.03499	0.6
113.02470	29.4
114.02806	1.0
119.03522	30.2
131.03528	4.4
135.04509	1.6
143.03513	8.3
144.03912	0.9
149.04578	4.3
161.04576	8.9
179.05624	37.9
180.06027	1.5
224.56693	0.7
282.35147	0.7
341.10892	50.9
342.11258	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.1
59.01381	19.0
61.90622	0.5
61.98810	0.6
67.37053	0.4
71.01390	13.8
71.17014	1.3
71.17361	0.5
72.99313	2.3
73.02947	0.7
75.00881	16.9
79.77735	0.5
85.02956	2.0
87.00900	1.1
89.02457	16.5
95.01404	1.3
101.02454	5.6
113.02465	4.3
117.01995	1.1
119.03516	5.0
129.57756	0.5
131.03528	1.1
135.03020	100.0
135.11810	4.2
136.03366	1.7
143.03505	1.7
161.04575	1.7
179.05637	6.9
179.10789	27.8
180.06096	0.7
180.11156	1.9
223.09779	6.2
335.54330	0.6
341.11847	11.5
341.19681	1.0
342.12686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99899	0.7
55.01878	1.1
57.03447	2.3
58.00601	4.2
59.01380	100.0
60.01705	0.6
62.57010	0.5
69.78050	3.7
69.78378	0.6
71.01387	71.1
72.01723	1.0
72.99313	3.2
73.02948	1.8
83.01396	2.4
85.02961	9.7
87.00900	3.7
89.02454	76.8
90.02800	1.0
95.01397	4.7
101.02457	31.6
102.02760	0.7
107.18974	0.6
113.02466	26.0
119.03518	28.9
120.03849	1.0
125.02483	1.1
131.03517	4.7
143.03506	6.3
149.04550	3.0
161.04588	8.3
161.56294	0.6
179.05637	30.2
180.05969	1.0
249.16530	0.6
341.10886	41.7
342.11197	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	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03445	1.9
58.00594	3.5
59.01380	100.0
60.01705	1.6
69.77585	0.4
69.77801	0.9
69.78214	2.5
70.17284	0.4
71.01388	71.0
72.01710	1.1
72.99313	3.2
73.02961	1.6
80.80547	0.5
83.01392	1.8
85.02962	9.3
87.00871	4.1
89.02454	85.4
90.02791	1.6
95.01440	3.4
99.00882	0.5
101.02457	33.9
102.02789	0.6
107.03494	0.7
113.02466	29.7
114.02820	0.6
117.01942	1.0
119.03524	29.2
120.03904	0.7
121.95581	0.5
125.02492	0.8
131.03497	3.7
135.04553	9.4
143.03534	8.3
149.04549	4.4
161.04567	8.5
179.05629	34.2
180.05954	0.9
341.10907	53.1
342.11295	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
55.45205	0.8
57.03448	18.7
59.01379	16.6
61.98839	1.5
67.01907	1.2
71.01383	18.6
71.40556	1.6
72.99310	3.0
73.02950	3.6
75.00887	3.4
83.01382	11.0
84.02193	2.8
85.02957	98.3
86.03292	2.0
87.00902	3.0
89.02452	9.3
91.05565	2.1
93.03510	0.8
93.07540	0.9
99.58029	0.9
101.02453	12.9
102.02753	1.0
103.04064	1.4
109.02981	2.0
111.00892	36.4
111.01659	1.9
113.02464	4.0
115.00394	2.3
119.03519	2.8
119.05035	1.8
121.02941	1.6
129.01959	34.2
130.08727	1.5
133.01433	3.8
134.03740	4.1
135.04521	2.7
136.97348	0.9
147.03001	2.6
149.02428	2.7
149.06073	1.7
161.04594	4.4
163.04047	1.3
167.97649	0.9
172.56506	0.8
179.03514	1.8
179.05597	4.2
187.02611	1.0
205.03539	38.1
206.03839	1.4
223.04585	100.0
224.04828	5.1
225.07729	1.9
246.68422	1.1
246.71135	1.0
269.69452	1.0
279.52881	0.9
297.07654	1.0
307.28168	0.8
328.49536	1.2
341.10977	5.9
342.23920	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	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
55.17693	0.2
59.01376	2.2
66.05798	0.2
69.77659	1.3
71.01385	1.6
71.74530	0.2
85.02966	0.8
89.02457	1.3
91.87595	0.2
93.03495	0.2
98.31750	0.2
101.02459	0.8
106.04266	0.4
107.05046	0.9
113.02464	0.7
119.03510	0.5
134.03748	2.4
135.04541	100.0
136.04869	5.7
139.14165	0.2
141.31657	0.2
143.03572	0.2
168.47171	0.2
177.01970	0.4
178.02487	0.4
179.03612	1.7
179.05611	0.8
186.60423	0.2
223.04564	0.6
225.43663	0.2
279.94791	0.2
341.08292	0.5
341.11322	0.5
347.05725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46161	1.1
55.01879	5.0
57.03450	19.2
59.01376	15.7
61.98819	1.7
67.01867	1.7
68.99837	1.4
69.40818	12.8
71.01389	19.3
71.27557	1.0
72.99322	2.0
73.02964	3.2
75.00877	3.8
79.68604	1.0
83.01394	10.9
84.02189	2.6
85.02959	100.0
86.03323	3.0
87.00893	3.2
89.02448	9.4
91.05556	2.2
95.01405	1.7
97.32580	1.2
98.20656	2.3
101.02467	13.6
107.88117	1.1
109.02964	1.6
111.00896	37.2
113.02473	4.9
115.00410	1.2
119.03512	4.3
119.05049	1.4
129.01967	36.7
130.08783	1.8
131.03500	1.3
133.01437	3.9
134.03760	11.2
135.04509	2.6
145.02959	1.4
147.03012	4.1
149.02467	3.1
149.04427	1.2
149.06134	3.0
161.04572	3.8
165.04076	4.3
179.03421	1.4
179.05644	4.9
187.02531	2.1
193.05148	7.6
205.01596	2.1
205.03549	40.3
206.03944	1.8
223.04593	93.5
224.04823	5.2
225.07678	2.0
253.08661	1.5
297.07706	1.1
305.29889	1.0
341.10809	5.2
342.23865	3.4
356.50146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14681	1.3
50.41089	1.3
51.66206	1.3
55.01887	4.5
57.03447	18.9
59.01381	26.6
61.98840	2.1
69.16116	1.3
69.22019	1.5
69.56494	3.6
69.56907	10.2
71.01387	31.5
71.53424	1.4
72.01723	1.6
72.99318	4.3
73.01820	1.8
73.02950	3.7
75.00896	2.4
81.03534	1.3
83.01403	10.5
84.02187	2.1
85.02960	95.3
87.00887	3.1
89.02462	15.3
91.05528	2.3
98.19905	2.8
99.00893	2.0
101.02460	13.1
104.62742	1.4
109.02975	6.6
111.00897	37.7
112.97355	1.5
113.02440	4.9
115.00397	2.1
117.03488	2.3
119.03527	3.5
121.02962	1.9
125.02460	3.9
129.01955	36.4
133.01460	4.4
134.03751	7.5
135.04555	27.6
145.03015	2.9
147.03018	3.0
149.02480	7.8
150.02792	4.9
151.02916	4.2
161.04555	4.1
161.06094	4.2
163.03937	2.2
164.04826	5.2
166.05287	3.6
179.03514	23.9
179.05629	5.6
180.03941	1.6
183.92480	1.3
187.02470	2.7
187.53516	1.5
193.05110	7.1
205.01616	2.3
205.03531	43.0
206.03857	2.7
223.04559	100.0
224.04878	5.9
224.06512	4.4
225.06602	10.4
281.04553	1.8
285.72623	1.6
297.07797	4.0
298.13968	2.2
341.10886	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	341.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03439	1.3
58.00592	1.9
58.02967	1.1
59.01381	55.2
61.98829	2.7
70.02978	3.7
70.27821	2.1
71.01385	41.0
71.05025	4.2
72.99316	3.1
73.02952	1.0
75.00877	2.6
83.01405	1.2
85.02962	7.6
87.00874	3.4
87.05647	3.2
89.02455	48.6
90.02787	1.2
95.01416	2.1
95.93465	20.6
96.00912	0.6
96.94250	6.5
99.00903	1.1
99.04541	1.9
101.02454	22.6
107.05029	1.7
109.02994	1.0
111.00910	1.0
113.02470	16.4
114.05623	1.0
115.00400	1.0
115.05135	3.4
116.07236	0.9
116.46590	0.7
117.02031	0.7
117.58044	0.6
119.03522	16.8
121.02856	0.6
122.95825	2.4
125.02441	1.8
129.01964	1.0
130.03360	1.6
131.03532	2.2
133.01465	1.6
134.03804	3.4
135.04544	84.3
136.04865	2.6
139.98454	4.8
143.03516	5.0
146.08255	16.7
147.08464	1.1
149.04582	1.4
161.02545	0.7
161.04584	6.6
179.03532	7.9
179.05615	20.3
181.74681	0.7
193.05145	0.8
205.03462	1.9
211.02141	5.8
217.11964	0.8
223.04570	2.3
225.03937	0.8
226.12018	1.3
237.06026	0.7
239.01663	3.7
241.72118	0.7
267.01312	1.0
332.08853	0.7
341.08099	100.0
342.08255	7.8
342.12256	1.2
345.83835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31459	0.6
58.00562	2.2
58.02950	1.3
59.01381	43.5
61.98790	2.4
69.99338	3.8
70.02974	3.2
71.01385	32.6
71.05025	4.7
72.01698	0.7
72.99276	2.7
73.02932	1.2
75.00842	1.2
83.01387	1.8
85.02952	6.3
87.00847	1.8
87.05607	3.1
89.02454	37.8
90.02736	0.8
95.01387	1.6
95.93461	21.6
96.94244	7.0
98.20242	2.3
99.00880	1.2
99.04457	2.1
101.02456	17.1
105.57039	0.7
107.04980	2.3
109.02953	0.8
111.00811	1.0
113.02473	12.7
113.07160	1.1
114.01881	0.7
114.05580	0.8
115.00346	1.2
115.05161	3.6
117.03391	1.0
119.03520	14.4
122.95769	2.9
125.02418	1.1
130.03334	1.5
131.03455	2.6
133.01389	2.1
134.03682	1.9
135.04539	63.3
136.04868	3.2
139.98489	5.5
143.03568	4.1
146.08253	19.8
161.02332	1.0
161.04581	4.3
179.03415	6.4
179.05502	16.0
205.03343	1.3
209.28790	0.7
211.02193	5.2
217.11795	1.3
223.04453	2.3
239.01688	4.7
279.10757	1.0
294.01749	0.7
341.08191	100.0
342.08377	7.8
342.12317	0.8
349.83832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0723
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
71.01386	23.3
71.47553	0.6
98.20663	1.1
106.26857	0.7
115.00401	11.5
121.02966	9.6
132.02187	1.3
133.01454	9.3
136.02925	0.6
147.04559	3.4
149.02463	54.2
150.02803	2.2
159.63600	0.6
164.04808	38.6
165.05130	2.2
169.05067	0.9
179.07112	3.1
193.01451	2.2
195.47932	0.6
208.03802	5.6
211.63652	0.8
218.03070	0.8
223.06123	100.0
224.06445	5.3
312.85922	0.8
332.27109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
50.78857	0.6
57.75985	0.5
60.59538	0.6
64.80707	0.8
69.57241	5.3
71.01383	27.3
81.30431	0.6
85.50646	0.6
85.59251	0.6
94.03828	0.7
98.20524	1.3
113.13290	0.6
114.30002	0.6
115.00384	11.2
117.03490	1.4
120.59285	0.6
121.02970	11.4
132.02200	0.9
133.01442	8.0
135.04546	1.1
147.04515	4.9
149.02458	66.9
150.02812	3.8
152.01205	0.9
155.12660	0.6
163.04031	2.0
164.04805	51.0
165.05128	3.4
169.05013	0.7
179.07133	3.9
193.01422	3.0
208.03802	6.8
223.06117	100.0
224.06442	7.1
248.36635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.10957	0.1
53.47638	0.1
59.01366	0.4
64.85983	0.1
68.45895	0.1
70.56607	0.2
71.01401	0.9
71.48898	0.1
71.71510	0.2
75.29528	0.1
81.03461	0.3
86.47697	0.2
89.03979	1.5
104.02674	0.6
104.83722	0.1
105.03479	3.2
115.00424	0.3
121.02975	0.2
133.02972	7.9
134.03348	0.3
148.01706	0.6
149.02472	2.6
150.02826	0.1
152.74641	0.1
163.13118	0.1
164.04799	1.5
176.01161	1.8
177.01945	100.0
178.02292	5.0
192.32010	0.2
210.91293	0.2
223.06100	2.6
283.53006	0.2
304.17172	0.2
339.07211	14.3
340.07565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89346	0.3
55.12909	0.3
59.01375	1.7
69.72813	1.8
69.73235	0.7
71.01385	26.0
72.01719	0.5
72.99311	2.8
85.02959	0.4
85.16082	0.4
87.00887	0.4
89.02454	1.9
89.03981	0.7
91.05551	0.7
93.03464	0.6
115.00387	45.3
116.00735	1.1
117.03493	0.7
119.05022	0.7
121.02965	11.6
122.03327	0.4
126.87603	0.3
130.08766	1.3
132.02190	0.9
133.01448	100.0
134.01794	2.5
135.04541	0.7
147.04520	3.5
149.02458	83.2
150.02803	3.6
163.04012	0.9
164.04807	70.8
165.05130	3.8
179.07140	5.5
190.02747	0.4
193.01416	0.8
208.03783	1.1
223.06114	88.7
224.06461	5.9
233.40021	0.3
323.16061	1.0
340.18744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01725	1.3
69.74844	2.6
69.82912	0.4
71.01383	0.6
73.23813	0.4
81.47387	0.4
85.02977	1.0
115.32948	0.5
129.02007	0.8
161.02588	0.5
168.49205	0.4
262.86896	0.4
302.44070	0.5
337.13336	0.6
356.27478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	6.1
59.01376	5.3
61.98812	1.4
65.27144	0.5
70.30898	1.9
70.31313	0.9
71.01385	1.5
71.05021	1.7
72.00900	4.4
73.04073	1.2
81.63133	0.5
82.02993	0.9
84.04529	0.6
85.02948	0.6
91.05541	1.1
95.39545	0.6
96.00925	0.9
96.04539	1.1
96.96031	0.6
97.04107	0.7
98.06133	5.9
99.05654	18.5
108.21790	0.5
109.67282	0.6
111.05653	0.6
115.00402	0.7
115.05123	2.2
118.06636	2.1
119.46923	0.5
123.05633	2.9
135.04530	1.1
141.05612	1.1
141.06725	21.5
144.04897	0.6
145.06224	0.9
147.04553	24.0
147.05945	3.3
148.04471	2.2
150.32150	0.5
162.09259	1.7
164.07185	53.9
165.07584	3.4
165.58025	0.6
172.04398	5.8
186.09277	1.6
188.07373	0.6
189.07059	20.8
189.08698	1.1
190.07314	1.1
190.56157	0.5
203.11923	4.1
211.67357	0.5
232.44937	0.6
234.09483	1.5
240.64197	0.5
245.12982	4.8
248.57387	0.6
251.12288	3.4
262.06329	0.5
293.13345	6.5
295.11163	2.2
301.27731	0.6
333.19962	0.6
337.12283	100.0
338.12543	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	336.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03458	1.1
59.01381	100.0
60.01693	1.5
61.98840	1.5
67.97879	0.6
68.01414	3.9
69.03460	0.6
71.01385	11.1
71.01771	1.0
71.18251	1.5
73.02948	2.9
83.01419	1.3
85.02959	5.4
87.00887	1.0
89.02448	0.9
95.01405	0.7
97.03004	1.6
99.00947	1.3
101.02468	3.9
103.36779	0.6
110.02504	2.2
113.02470	4.1
113.03622	1.5
114.02023	1.4
119.05076	1.2
131.03777	1.8
131.04680	2.9
135.04565	2.5
143.03510	0.6
147.04539	16.3
158.06195	1.5
161.04581	8.1
173.11873	0.6
175.03918	0.6
189.05621	1.0
203.05638	1.5
222.35513	0.6
230.06653	0.7
232.68587	0.7
275.14105	1.0
293.15112	1.5
336.17551	5.3
337.17307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0777
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01863	0.5
57.03442	1.1
58.00600	0.6
58.02982	0.7
59.01380	10.4
68.99529	0.9
68.99860	1.2
69.38107	6.0
71.01390	6.8
72.99308	0.9
73.02955	1.2
75.00879	1.3
77.49406	0.5
78.95911	1.8
82.40539	0.6
83.01397	6.4
85.02957	5.9
86.03310	0.5
87.00886	7.8
89.02464	2.8
95.01399	1.2
97.02937	0.6
99.00883	3.3
101.02469	3.7
111.00879	4.4
111.02037	2.7
111.10750	0.6
112.98650	2.7
113.02468	5.5
113.99609	9.7
115.00385	14.2
119.03487	1.2
121.55463	0.5
127.00410	1.6
128.03566	1.3
128.07230	0.8
129.01959	1.9
130.08841	0.8
131.04657	0.6
139.00415	5.9
143.04669	1.3
145.06187	0.7
157.01442	6.6
169.01416	0.9
174.01717	14.8
174.07707	0.8
175.02449	2.2
175.08052	0.9
185.39244	0.6
254.08023	0.7
272.08939	1.5
277.05618	11.2
278.05807	0.8
337.07767	100.0
337.13208	4.5
338.08127	7.1
338.12390	0.8
338.13803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.98833	0.9
62.26231	0.2
67.79784	0.2
71.01369	0.5
71.22070	0.6
79.95741	0.4
96.96027	0.4
99.92611	0.3
148.71907	0.3
183.08171	0.5
187.07614	0.9
210.06877	0.9
211.07658	4.9
213.05612	3.0
213.71716	0.3
214.06013	0.4
227.07181	0.4
248.62456	0.3
254.05846	2.6
255.06613	100.0
256.06955	9.6
265.04608	0.3
295.74036	0.3
334.19470	0.5
335.02280	6.7
335.15302	0.3
335.19183	0.6
336.02628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.6
57.03447	19.1
59.01381	3.5
61.98836	0.7
67.01887	1.0
69.70006	4.5
71.01377	7.4
72.99309	2.0
73.02947	3.0
75.00866	1.3
83.01391	10.7
84.02166	2.9
85.02959	100.0
85.34908	0.6
86.03291	2.3
87.00880	0.7
89.49043	0.7
99.00898	0.9
101.02458	8.3
103.03999	0.7
111.00896	33.0
112.01256	1.0
129.01962	51.1
129.09236	14.3
130.02299	2.2
130.09570	0.8
161.04552	4.1
177.04024	1.1
187.02477	2.5
197.11897	1.1
205.03545	32.5
206.03900	1.6
223.04625	5.3
335.13525	5.7
336.14011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87774	0.7
55.01883	3.0
57.03180	1.1
57.03449	18.2
59.01383	4.5
61.98833	5.4
67.01866	1.2
68.99820	0.8
71.01385	8.5
71.72906	1.0
71.73277	0.8
72.99312	1.8
73.02958	3.5
75.00885	0.9
83.01393	10.3
84.02175	2.1
85.02958	100.0
86.03300	2.4
87.00887	1.4
89.02441	1.3
99.00892	1.0
101.02457	8.5
111.00897	35.0
111.04522	0.7
112.01250	1.2
113.02440	1.6
115.00364	0.7
117.94025	0.6
129.01962	52.2
129.09241	15.0
130.02298	1.8
133.01556	0.7
143.03568	1.1
155.10840	0.7
159.85042	0.6
161.04575	3.9
178.54626	0.7
187.02533	2.7
197.11839	1.0
205.03548	29.1
206.03915	1.0
223.04604	6.0
259.09561	0.6
308.60220	0.6
317.12164	1.0
335.13531	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	334.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65480	0.6
59.01384	13.9
61.98839	3.8
69.60383	5.4
71.01382	5.1
72.00916	3.8
73.02959	1.1
73.04077	20.9
74.02454	0.7
83.02524	4.0
85.02958	1.5
89.02478	0.8
91.05540	4.4
96.96001	2.4
101.02451	1.3
112.07681	1.3
113.02484	1.3
114.28938	0.5
115.00417	1.4
118.06618	2.4
119.05027	0.7
120.99656	0.7
129.10370	16.0
130.08757	6.9
131.05057	0.7
133.01433	1.0
135.04532	1.1
139.08786	3.9
141.10390	4.8
143.11867	0.9
147.04538	17.3
148.04843	0.9
164.07187	50.4
165.07518	2.1
168.11420	6.8
169.09846	14.0
173.11845	0.8
186.12497	46.0
187.12834	2.0
203.08232	1.4
216.13921	2.9
217.14304	0.7
233.16615	11.8
274.17523	0.7
290.18765	5.8
293.16135	1.8
324.02631	0.6
334.17712	100.0
335.17892	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	334.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.7
61.03529	0.7
61.98833	6.1
62.19043	0.6
69.56683	5.4
71.01382	5.3
72.00907	3.5
73.02921	0.8
73.04078	18.9
82.06647	0.7
83.02506	3.8
85.02953	1.7
91.05537	3.6
95.95255	0.7
96.96017	2.3
98.19944	1.3
101.02454	2.3
111.04421	0.7
112.07700	1.4
113.02422	1.1
115.00414	0.8
118.06636	2.5
119.05014	0.9
129.10364	16.8
130.08746	8.0
130.86710	0.6
131.05086	1.0
131.23723	0.7
133.01445	0.8
135.04515	1.7
136.31061	0.6
139.08794	3.0
139.66905	0.6
141.10361	4.2
147.04546	20.7
148.04936	0.6
164.07190	46.5
165.07495	2.4
168.11432	6.9
169.08488	1.1
169.09848	13.9
173.11786	1.0
186.12494	43.8
187.12764	2.2
198.75662	0.6
199.97368	0.6
203.08240	2.0
216.13890	1.9
233.16566	10.2
233.70540	0.6
234.16902	1.4
277.15540	1.2
290.18701	6.5
291.19202	0.8
293.16052	1.6
334.17719	100.0
335.17999	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	333.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01982	0.7
59.01379	100.0
60.01723	1.6
61.98832	3.3
71.03208	2.4
89.76093	0.7
95.28867	0.6
95.36397	0.8
97.14173	0.7
120.16501	0.6
128.03824	0.8
146.96642	1.3
185.12271	0.7
283.91315	0.8
332.15158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79651	0.4
55.92137	0.4
59.01376	1.7
59.33573	0.4
61.98810	0.9
63.94467	16.1
63.96241	1.0
64.95251	14.5
69.64311	0.9
69.64723	2.8
71.01376	0.7
72.99309	1.3
83.05035	0.7
84.18929	0.5
85.02952	0.5
87.00879	2.1
89.66199	0.4
93.07066	0.5
99.02728	0.5
100.07707	3.7
114.09283	2.1
122.79654	0.4
127.05913	0.7
142.08723	0.4
144.05341	0.5
146.07097	1.0
146.08257	16.7
147.08595	0.5
151.79523	0.5
158.06409	0.5
158.64246	0.4
186.07784	0.7
196.16953	0.6
200.09378	1.0
210.14952	1.2
214.10880	1.0
224.16594	3.1
242.12209	14.0
243.12459	1.0
254.12100	3.0
256.15475	1.5
266.13947	0.9
268.15524	3.0
269.16141	0.7
270.17096	26.6
271.17496	2.3
272.09729	0.5
274.11368	0.7
280.91315	0.5
288.12717	1.5
289.13025	0.5
300.12753	20.0
301.13010	1.2
334.11517	100.0
335.11807	10.7
335.15427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92180	0.4
59.01379	100.0
60.01723	1.1
61.98843	0.6
67.24575	0.4
71.20414	1.0
87.98163	0.4
112.05563	0.5
149.37840	0.4
149.98827	0.5
179.75330	0.4
191.27417	0.4
223.74319	0.5
240.28343	0.5
260.35278	0.5
333.20670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0597
Annotation	GroPIns
Peak:m/z	Relative Intensity
50.98815	0.3
52.73450	0.2
69.93130	1.7
78.95911	79.4
90.97668	0.2
91.57584	0.3
94.92965	0.2
96.96066	1.2
96.96975	15.2
150.98041	0.9
152.99608	70.9
153.99963	1.5
171.00655	7.8
171.02103	0.5
223.00127	0.9
241.01193	35.1
242.01500	1.7
251.46306	0.3
259.02310	2.1
333.05920	100.0
334.06320	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	333.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01906	2.8
52.33821	0.6
53.85435	0.7
58.02975	96.8
59.01377	5.4
59.03313	1.6
61.98830	1.0
70.88199	1.5
71.01371	1.0
72.00911	1.5
74.72894	0.8
82.06642	2.4
85.49344	0.7
89.02304	0.6
91.05541	3.0
95.08853	0.6
99.92596	0.8
102.03498	1.4
107.90002	0.6
110.85483	0.6
111.01988	1.4
112.07715	2.4
114.01983	1.8
116.05077	100.0
117.05412	4.4
118.06646	19.7
119.07020	0.7
123.06942	1.2
123.09304	30.0
124.07771	0.6
126.09266	6.7
128.05112	1.8
129.10362	38.1
130.10666	0.9
132.08194	1.2
135.04568	2.0
137.10889	4.2
139.08791	20.0
140.07259	1.0
140.09169	0.6
140.10826	5.3
141.10358	2.9
142.19223	0.7
146.06149	4.2
147.04530	2.8
147.08174	0.7
149.06093	2.2
153.10374	2.9
154.08730	3.7
155.08279	1.4
165.10381	1.1
167.08282	1.2
168.09097	1.4
171.11406	54.8
172.07709	4.4
172.11794	3.3
174.05617	20.4
174.09258	1.3
175.05949	1.4
183.11398	2.8
184.72916	0.7
185.09355	2.1
186.05501	0.8
198.12926	9.8
200.11745	1.7
210.10104	12.5
211.10431	1.0
215.15512	14.9
216.13922	3.3
216.15704	1.2
230.15416	0.9
231.15034	7.6
232.15276	0.8
242.11858	96.3
243.12170	8.8
257.16595	57.9
257.19470	0.7
258.17068	5.4
259.14493	26.3
260.14886	2.9
273.16098	1.4
291.17111	10.6
292.17245	1.2
293.89304	0.7
301.15573	78.9
302.15930	8.0
331.01889	0.6
333.14014	1.1
333.18176	33.3
334.18509	4.5
339.22684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1036
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03448	0.4
59.01369	1.3
60.59187	0.4
67.71613	0.3
71.01382	2.5
71.16050	0.3
71.72572	0.3
72.99284	0.5
73.02944	0.6
73.04077	0.9
74.02450	0.4
75.00862	0.3
82.00630	0.5
83.01400	0.9
84.00938	0.6
85.02966	2.6
87.00889	0.4
89.02483	0.5
101.02446	1.1
103.05154	0.4
108.02204	0.4
109.02986	0.4
110.00121	6.1
113.02477	2.9
113.49315	0.3
115.00365	0.9
123.00888	0.7
123.04533	0.7
124.01677	1.3
125.02470	9.8
127.04025	0.3
128.03548	0.4
130.08809	0.3
131.03435	0.4
133.01468	0.7
135.04549	4.9
137.02475	0.8
137.99609	9.1
138.03209	0.6
139.00424	2.6
140.01205	0.6
140.08368	0.4
149.02484	0.4
149.99632	0.5
151.00385	1.5
151.04065	0.4
152.01181	3.3
153.01961	100.0
154.02397	4.8
155.03519	2.3
156.32965	0.3
161.04575	1.3
166.02763	0.5
167.03514	11.5
168.00615	1.1
168.04305	52.3
169.01488	4.3
169.05061	10.7
170.05437	0.6
179.03558	1.9
181.01375	0.5
181.05161	0.4
191.03587	0.9
194.02235	0.6
196.03761	0.5
209.04573	1.0
211.06055	0.6
299.07620	0.7
331.06683	3.1
331.10449	6.0
332.10629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2127
Annotation	oscr#18
Peak:m/z	Relative Intensity
52.36333	0.4
57.03444	0.9
59.01373	2.0
59.15154	0.4
61.98827	1.1
68.05360	0.4
70.47775	1.2
71.01395	0.6
75.99747	0.4
91.03997	1.0
91.59462	0.4
110.30785	0.4
118.42381	0.4
135.04491	0.5
143.81058	0.4
176.84595	0.4
193.00710	0.4
193.16020	0.5
195.17561	57.3
196.17938	4.2
213.18590	1.3
239.16528	65.0
240.16887	5.8
257.17572	100.0
258.17886	7.6
295.27951	0.4
331.21252	45.7
332.21677	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01379	3.6
69.03464	2.4
71.01382	2.3
71.66418	0.6
71.66750	0.4
71.81775	0.4
73.04088	1.6
74.02475	1.7
79.76890	0.4
80.22564	0.4
80.66161	0.4
81.03454	1.3
81.53700	0.4
83.01394	1.6
84.00904	0.4
85.02952	1.4
87.00898	0.5
88.04057	0.7
89.02480	0.7
95.01404	0.8
96.00906	0.5
97.02965	2.4
101.02412	0.5
103.05145	0.7
107.01409	1.0
108.02177	0.6
109.02983	0.6
109.04952	0.4
109.99109	0.4
110.00103	2.0
113.02454	1.2
115.00382	1.4
123.00896	3.7
123.04543	1.4
124.01689	14.0
124.02612	0.7
124.04885	0.4
125.02467	61.2
126.02808	1.4
127.03996	0.8
130.08788	0.5
133.01450	1.2
135.04536	5.6
137.02444	1.0
137.99638	2.0
139.00429	0.8
139.04042	1.0
143.11955	0.7
149.02385	0.6
149.99603	27.1
151.00452	2.4
151.04021	1.7
152.01114	0.7
152.07257	0.5
153.01964	24.7
154.02420	1.3
155.03479	0.5
167.03535	4.8
168.00662	60.6
168.04294	12.3
168.31621	0.4
169.01422	8.4
169.05090	3.8
175.02420	0.6
177.02014	0.5
179.03551	1.6
200.14001	1.0
276.24356	0.4
301.15283	0.6
313.05646	6.1
314.06049	0.7
331.06711	100.0
332.07089	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01377	0.5
69.03461	2.8
71.48803	0.6
76.87244	0.4
81.03455	0.9
83.01411	1.2
95.01392	0.8
97.02962	2.3
101.44810	0.3
107.01419	1.3
123.00919	3.3
124.01688	12.5
125.02466	56.3
126.02784	2.2
128.07220	0.4
149.99603	22.8
151.00449	2.2
153.01968	1.4
165.01907	0.4
167.03481	1.3
168.00661	56.6
169.01401	5.4
174.07727	1.4
193.01477	0.5
259.43988	0.4
313.05618	6.8
314.06155	0.7
331.06705	100.0
331.34360	0.4
332.07037	8.7
332.10574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.87407	0.4
57.03443	5.4
59.01383	2.2
59.91455	0.4
65.00325	4.6
70.02980	0.4
70.90222	0.9
71.01385	2.0
73.02980	0.6
73.04089	0.7
74.02475	5.3
81.03447	2.9
83.00896	0.9
83.01394	15.9
87.00886	0.6
87.05645	5.3
88.04059	0.7
93.03477	0.6
96.00947	1.3
96.04533	0.4
97.02976	1.0
98.19975	0.5
101.02447	0.5
103.01934	0.6
107.01398	9.2
108.02202	5.4
109.02962	1.3
112.02779	0.5
113.03597	0.4
114.02008	1.0
115.00401	0.6
121.02976	1.0
124.01698	2.2
125.02458	61.6
125.49592	0.4
126.02797	1.8
129.10356	1.6
131.01405	1.1
131.04617	1.0
133.05066	2.6
137.02438	1.1
137.06833	0.5
139.04010	1.2
139.08792	0.9
149.02443	1.3
149.99579	0.7
151.00383	59.3
152.00755	2.3
153.01961	1.0
155.08347	0.5
156.61908	0.4
156.99902	0.6
161.04572	1.9
165.01955	1.1
167.03522	1.7
168.00629	4.2
168.04279	0.9
169.01439	34.6
170.01770	2.3
173.09305	0.6
175.00375	8.3
176.00809	0.6
186.12498	3.3
191.06622	0.4
193.01427	6.5
205.01399	1.0
211.02437	2.5
216.13571	0.9
218.08655	0.5
223.02492	0.8
271.08270	1.0
273.75330	0.5
301.15155	5.8
302.15198	0.5
313.15247	0.5
314.65894	0.5
331.06693	100.0
331.15860	7.3
332.06992	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	331.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
69.41218	1.1
69.41625	5.1
71.01387	11.7
74.02483	2.2
82.02992	1.6
85.02959	1.7
101.02418	0.5
107.05026	1.3
108.79529	0.5
109.02980	0.7
113.02471	0.8
115.00388	7.3
116.00742	0.5
130.08762	4.0
131.09152	0.7
133.01456	1.2
133.03006	0.8
134.03749	1.7
135.04541	100.0
136.04890	5.3
153.05606	2.2
162.49690	0.5
168.75163	0.5
171.02200	0.7
179.03516	48.9
180.03841	2.6
199.18185	1.2
200.18599	0.6
241.12701	0.7
287.10501	3.8
288.10468	0.6
295.04599	1.1
301.19736	1.2
330.20389	2.0
331.01730	0.7
331.09229	1.8
331.15933	1.1
331.20786	2.0
332.20889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76875	1.1
59.01374	2.8
59.99121	1.0
69.45998	10.1
71.01389	12.7
78.75157	1.0
82.02995	8.1
85.02956	1.6
99.92320	1.0
100.50222	1.0
107.51241	0.8
115.00388	8.3
122.06149	1.2
122.09657	1.0
133.01456	1.0
133.02974	1.6
134.03760	1.4
135.04546	100.0
136.03961	1.3
136.04855	4.7
150.48915	0.9
153.05598	1.9
164.03584	2.8
179.03513	49.2
179.45230	0.9
180.03819	2.8
244.09789	1.0
287.10364	17.2
288.10919	1.3
295.04538	1.6
320.86288	1.0
331.09271	5.0
331.17633	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	331.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65347	0.6
56.68321	0.6
58.75373	0.6
59.01374	1.9
70.88334	2.2
71.01385	13.4
74.02473	3.3
77.24950	0.7
85.02964	1.7
109.04122	1.2
111.11335	0.7
115.00417	7.2
127.05160	5.4
129.01956	0.8
130.08804	1.4
133.01393	0.9
133.02974	0.8
134.03772	1.8
135.04543	100.0
136.04861	4.3
138.05620	0.8
153.05623	1.4
179.03513	39.1
180.03847	2.0
257.09265	3.7
295.04715	0.9
301.19693	0.7
309.27829	0.6
331.09329	1.0
331.20737	0.9
332.12650	5.3
332.16071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75833	0.7
57.03445	1.7
57.56060	0.7
59.01376	5.0
60.93507	0.8
60.99300	1.4
61.98825	1.4
67.60093	0.8
70.02980	2.8
71.01376	2.5
71.73779	1.3
72.00923	6.3
72.04556	3.0
74.02479	82.6
75.02790	1.1
84.04550	9.8
85.02950	2.0
86.02471	2.9
88.04050	2.6
96.33273	0.9
96.76701	0.8
98.02472	4.5
100.04056	2.4
104.03550	49.1
106.77207	0.8
115.66349	0.8
116.03554	33.1
120.00130	0.7
122.06140	2.5
135.04546	3.4
135.35165	0.9
139.10347	1.1
139.11325	12.5
146.04608	20.0
163.11337	3.3
181.12346	4.1
183.10284	13.3
191.01952	0.9
207.10260	3.9
225.11322	7.0
238.14508	1.1
243.12386	8.2
250.14452	1.3
268.15466	2.0
269.12830	2.1
282.13602	2.0
294.13464	1.0
296.16223	1.3
300.14514	16.4
312.14511	7.7
330.15576	100.0
331.15970	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	330.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03447	7.0
59.01382	26.8
60.01700	0.6
60.32721	0.4
60.99302	0.9
61.98832	1.7
63.82390	0.5
68.48328	0.4
71.01385	4.0
71.68140	1.2
72.00928	0.8
73.04085	0.6
74.02479	39.6
82.02988	10.8
85.02954	0.8
86.02494	1.3
86.06121	2.1
93.03491	0.5
95.05071	0.5
98.06123	1.0
104.03548	3.1
109.06564	0.6
111.00874	0.5
115.00402	2.3
115.92073	0.5
122.03738	0.6
122.06138	1.4
123.04541	0.8
124.07708	1.1
125.62907	0.5
126.09265	1.3
130.08762	10.9
133.01442	0.5
135.04549	25.4
136.04060	2.6
138.09291	3.0
139.11333	0.9
140.07185	1.2
143.11867	0.7
150.09311	2.8
163.11287	0.7
164.03516	3.6
165.09212	3.7
169.09860	1.3
176.10753	0.6
178.08723	0.8
179.03502	7.2
181.12395	0.8
183.10309	1.0
184.90253	0.5
190.12373	4.3
196.13686	0.6
199.10918	1.2
199.18184	3.8
202.08798	1.0
204.06685	0.6
206.15558	1.2
208.13411	5.2
213.11421	0.6
220.13412	2.3
222.11473	0.7
225.11292	1.1
238.14493	10.9
240.12422	32.1
241.12804	1.9
243.04218	0.5
243.12395	1.9
244.09790	1.4
250.14409	1.2
256.20291	1.9
259.10806	1.0
264.12381	1.1
267.96323	0.6
268.15533	5.5
270.07718	0.9
270.13446	7.6
271.07181	0.5
271.13773	0.7
282.13528	3.1
286.10815	1.1
287.10370	21.2
300.14563	12.4
300.19168	2.4
301.14777	0.8
312.14566	9.7
313.14926	0.9
330.15610	100.0
330.20132	10.1
331.09448	5.9
331.15887	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.71081	0.3
54.30356	0.3
57.03449	0.4
58.00594	1.4
58.57825	0.3
59.01384	5.5
61.98810	0.8
70.46231	1.5
71.01400	0.6
125.09750	4.8
127.10352	0.5
127.11301	9.9
137.09755	1.4
139.11311	5.6
140.11736	0.4
143.10854	0.5
153.09196	0.6
155.10805	3.8
157.12383	0.5
165.09265	2.1
171.10297	35.1
172.10651	1.5
183.10252	0.5
183.13889	0.6
185.11882	0.6
199.09776	1.9
201.11348	31.1
202.11647	2.0
207.69164	0.3
211.13451	1.1
229.14467	0.5
275.20157	1.0
293.21121	2.7
293.91696	0.4
311.22250	1.5
329.23343	100.0
330.23688	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.00589	0.6
59.01381	8.4
60.01723	0.3
61.98832	0.7
70.58729	1.2
73.02945	0.4
92.66721	0.4
97.06586	0.4
99.08177	0.5
101.02444	0.4
104.97856	0.3
121.10258	0.6
123.08128	0.3
125.09743	3.8
127.11314	7.6
128.11618	0.6
137.09726	0.8
139.11313	6.5
153.09294	0.4
155.10803	3.3
157.12390	0.8
165.09242	1.2
171.10289	35.8
172.10614	2.1
183.10306	1.0
185.11856	0.9
199.09816	1.4
201.11331	23.7
202.11720	1.1
211.13412	1.8
213.11436	0.5
229.14372	0.7
261.87067	0.3
269.10251	0.4
275.20135	1.8
286.11108	0.4
287.22293	1.1
293.21219	2.3
311.22333	2.3
329.23349	100.0
330.23666	9.7
346.41855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53613	0.3
58.59533	0.4
59.01374	3.0
61.98832	100.0
66.02846	0.3
69.44511	3.1
70.42790	0.3
71.01382	0.4
81.45607	0.4
97.90257	0.3
98.19853	0.8
108.25502	0.3
109.02946	0.4
120.99683	0.4
121.40060	0.3
122.06171	0.4
127.25248	0.3
146.77954	0.3
179.12247	0.4
182.11421	0.4
187.78540	0.3
223.13501	1.1
236.81093	0.4
269.74652	0.4
270.47949	0.3
330.23642	0.4
331.24686	0.4
349.56818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01134	0.3
57.03441	0.4
59.01376	2.0
59.81280	0.3
61.98822	0.9
70.48656	0.6
70.49049	0.9
71.01384	7.4
72.99310	0.8
73.02949	2.1
75.58427	0.2
76.36354	0.2
83.01399	1.0
85.02957	3.1
87.00840	0.3
87.05647	0.6
88.04064	0.6
89.02459	0.8
93.03497	0.5
95.01374	0.5
97.02965	0.4
99.00898	1.0
99.04552	0.6
101.02457	4.9
107.05057	0.7
108.02185	1.1
109.02943	2.4
113.02462	4.1
115.00384	0.8
121.02969	2.5
122.03752	100.0
123.04610	12.5
124.04872	0.7
125.02448	0.3
127.05151	0.7
133.01445	1.9
133.02960	0.4
133.53709	0.3
135.04570	1.4
136.05357	0.3
137.02440	1.5
137.06078	1.4
139.04012	0.3
143.03537	0.6
145.06154	0.4
147.04529	1.5
150.03328	0.4
151.04021	4.4
159.02997	1.8
161.04576	10.7
162.03191	0.3
162.04898	0.3
165.05580	5.5
166.05943	0.3
167.03508	0.8
177.05592	2.9
194.53717	0.3
195.02937	0.4
195.06602	0.3
205.03583	0.3
213.04060	1.3
285.09802	2.8
329.08810	6.4
329.18219	1.4
329.21790	0.4
330.08899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
51.69440	0.3
51.95893	0.2
57.03448	0.9
59.01393	0.4
71.00954	0.5
71.01351	0.8
71.05018	0.4
73.10568	0.3
83.05052	0.8
85.02950	0.4
96.58302	0.3
97.06606	0.5
99.08173	4.8
104.73240	0.3
123.08175	0.3
125.09766	1.7
127.11312	3.0
137.09773	0.3
139.11299	2.2
145.24588	0.3
146.25974	0.3
155.10820	0.4
155.14421	0.8
164.00644	0.3
165.12852	0.7
167.10722	0.4
167.14494	1.5
171.10298	7.0
180.62932	0.3
183.13919	5.5
193.12321	1.9
199.13329	0.6
209.11832	1.6
211.13411	30.9
212.13771	2.2
229.14444	16.4
230.14832	1.0
243.89204	0.3
293.21173	1.0
311.22211	0.7
329.23337	100.0
330.23672	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	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	44.0
61.98820	2.5
71.42672	1.4
73.90546	0.5
78.95917	0.7
87.00894	0.8
115.02531	1.4
117.00461	4.2
126.98912	2.2
133.66599	0.5
144.99930	1.3
157.03575	1.2
159.01518	65.1
160.01659	5.5
168.99974	5.3
170.97856	1.3
187.01009	100.0
188.00865	10.6
201.02576	14.9
202.02826	1.3
217.00443	0.6
233.74487	0.5
241.00429	0.7
287.01184	1.5
310.03687	0.5
311.01086	2.0
312.01025	0.5
329.02219	4.2
330.01984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
57.21338	0.4
59.01380	4.0
70.98440	1.4
71.01383	5.8
72.99319	2.9
73.02975	0.6
81.03483	0.6
82.02992	0.6
85.02927	1.2
87.00919	0.6
88.04029	1.0
93.74134	0.4
95.01380	0.7
95.05016	0.5
107.05030	3.0
108.02191	53.7
109.03082	2.7
115.00385	5.7
116.00721	0.4
118.71750	0.5
121.02949	1.2
122.03813	0.5
123.04545	44.8
124.04872	2.3
125.02514	0.8
125.06087	1.5
133.01465	13.4
133.02979	1.6
135.04485	1.1
137.02467	0.6
140.07133	0.5
149.02422	0.6
151.04027	24.1
152.01173	34.4
152.04376	0.9
153.01527	1.3
167.03519	100.0
168.03862	5.1
169.05092	1.9
188.73183	0.4
195.03026	3.8
195.05548	0.4
203.79353	0.5
213.04070	8.0
329.08743	3.6
329.18433	1.0
330.12241	0.5
330.16742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2906
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
56.48172	1.2
59.01381	100.0
60.01693	1.2
61.98830	2.8
71.42448	2.3
71.42828	2.2
75.00894	2.4
82.89493	1.1
110.45641	1.1
162.10851	1.2
185.00815	1.6
236.49107	1.1
238.58057	1.1
265.46762	1.1
327.18341	4.4
327.29041	76.0
328.29434	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18470	0.5
57.03451	1.3
57.13485	0.4
58.00578	0.5
58.17466	0.4
60.85369	0.4
69.03459	1.1
71.01387	0.8
71.05025	0.5
71.27901	0.9
71.29434	0.4
80.20317	0.4
83.05032	1.3
84.02172	0.6
84.86658	0.4
85.02959	4.8
95.05035	0.9
97.02949	0.6
97.06610	5.1
97.94775	0.4
108.88952	0.4
123.08228	0.4
125.09738	1.7
127.11286	1.8
137.09789	0.8
155.10805	1.2
155.14404	1.0
158.12573	0.4
164.56523	0.4
165.12839	0.8
167.14413	1.1
171.10291	8.5
177.12888	1.1
181.12308	0.6
183.13916	4.9
184.54160	0.4
185.11809	1.9
193.12343	1.3
197.11868	0.6
203.10762	0.6
209.11850	1.6
211.13403	23.5
212.13773	1.6
221.11858	3.1
229.14433	14.9
230.14803	1.0
239.12927	1.8
250.66922	0.4
283.10953	0.5
291.19684	3.2
309.20703	1.0
327.21768	100.0
328.22116	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03436	1.5
58.00583	0.5
59.01381	0.7
66.53872	0.4
69.03445	1.0
70.86012	1.3
71.01389	0.7
78.05070	0.3
83.05018	1.5
84.02144	0.4
85.02962	4.6
95.05032	1.0
97.02966	0.8
97.06609	4.2
109.06589	0.4
123.08204	0.4
125.09737	1.3
127.11331	1.8
137.09676	0.8
155.10759	0.7
155.14427	0.5
163.11288	0.5
165.12869	1.1
167.10733	0.6
167.14429	1.2
171.10284	10.9
177.12894	0.8
181.12309	0.5
183.12550	0.5
183.13934	4.3
185.11856	1.3
193.12364	2.2
197.11847	0.7
199.13429	0.6
203.10786	0.5
209.11824	1.6
211.13406	21.4
212.13716	1.0
221.11853	3.2
229.12222	0.8
229.14438	12.8
230.14853	0.6
239.12895	1.6
291.19717	2.7
309.20706	0.7
327.21762	100.0
328.22128	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	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03449	1.2
59.01379	5.8
60.36129	0.8
61.98829	1.1
63.18079	0.8
69.03448	6.6
70.31892	1.3
70.32294	2.3
71.01386	2.0
71.60709	0.8
79.25555	0.8
79.94002	0.8
80.02751	1.1
83.05029	1.6
84.02164	0.9
85.02974	5.5
97.06612	2.1
119.05051	1.3
119.08689	6.4
125.09738	3.8
127.11316	4.8
135.08177	2.4
137.08731	1.8
137.09747	27.9
138.71619	0.8
141.59938	1.0
153.09261	1.4
166.06403	1.2
171.10294	98.2
172.10657	6.3
183.13914	1.5
185.11880	1.7
197.11752	1.5
201.11362	20.6
202.11565	1.2
209.11746	0.9
211.13446	6.2
213.11368	4.1
229.14447	3.5
239.16722	1.9
243.13586	0.8
267.11011	1.4
273.18787	1.1
280.15179	0.9
291.19714	4.6
291.26801	0.9
309.20752	9.9
310.21011	1.2
314.44754	0.9
327.08780	2.5
327.21783	100.0
328.22125	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.06225	1.5
57.03452	2.5
58.62082	1.7
59.01383	9.1
61.98820	3.1
69.03474	1.9
69.49375	8.2
69.49808	7.3
71.57969	1.5
75.88567	1.4
80.96462	1.5
83.05018	2.0
85.02950	5.6
93.03475	2.2
97.06604	3.0
119.05054	2.3
119.08676	2.1
127.11297	3.3
133.01454	2.6
137.02440	3.2
137.09702	4.5
171.10281	24.1
183.13864	3.4
185.11774	1.5
197.11873	4.8
201.11324	2.5
211.13376	13.0
221.11943	2.1
229.14487	7.6
237.60918	1.5
239.12929	2.1
239.16492	3.5
266.13937	1.8
291.19662	3.0
309.20908	2.4
327.08652	3.1
327.21774	100.0
328.22015	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	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16352	0.7
55.01862	1.4
55.20499	0.5
57.03451	9.8
59.01087	0.9
59.01382	16.8
67.01888	0.9
68.99808	0.9
69.35001	0.8
70.59188	2.1
70.60575	0.6
71.01394	9.3
72.99294	2.8
73.02925	1.8
75.00871	1.5
75.22466	0.6
77.87826	0.7
78.41165	0.6
81.65788	0.6
83.01392	3.7
84.02167	2.0
85.02961	63.6
86.03308	1.6
87.00893	8.8
89.02466	1.1
93.03469	17.6
94.03757	0.8
96.61553	0.6
96.99316	1.7
99.00888	1.8
101.02445	3.4
105.01944	9.4
105.03461	0.9
111.00883	8.7
115.00365	4.0
117.01896	0.7
117.03398	1.2
119.05048	33.8
120.05385	1.4
121.02974	7.5
121.06609	7.6
123.04526	2.2
129.01065	1.0
129.01970	17.3
131.05042	2.7
132.05823	1.2
133.01450	10.4
133.02985	2.0
134.03726	1.9
135.04544	16.2
136.04831	1.3
137.02499	1.1
139.04070	0.6
140.04071	0.8
143.05054	8.3
145.02936	1.4
145.06653	1.2
147.02968	4.4
147.04448	1.3
149.02396	0.9
150.03221	0.7
161.04573	1.2
161.32451	0.7
162.86708	0.6
163.04044	14.8
164.04300	1.3
165.04047	40.3
165.05553	100.0
166.04359	1.7
166.05887	4.8
167.03458	1.2
171.04431	0.8
177.05534	0.7
179.03511	8.6
191.01994	12.1
193.05035	1.1
195.08281	0.7
205.03539	7.5
208.93077	0.6
209.01234	1.1
209.03041	16.0
210.03537	0.6
211.06071	3.3
211.07779	1.4
218.63599	0.6
221.09695	0.8
223.07611	1.0
224.08302	0.8
235.07590	2.8
237.09186	7.4
238.09549	1.4
239.10742	2.9
265.08688	7.5
266.09048	0.9
283.09784	11.6
284.10147	1.0
309.07617	2.3
327.08679	49.4
328.09018	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	327.0874
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01380	0.5
66.23055	0.3
71.01382	0.8
74.66443	0.3
75.05614	0.3
79.49810	0.3
85.02948	0.4
93.03470	29.9
94.03813	1.2
95.05060	0.3
96.99323	6.2
98.19848	0.7
106.04222	0.4
108.02184	0.4
109.02986	0.4
115.00394	0.6
117.03505	2.4
119.05044	24.7
120.05403	1.2
121.02938	0.5
123.04559	2.5
129.03468	0.3
130.04263	1.9
131.05060	6.9
132.05803	0.6
133.01456	0.7
133.02977	6.0
133.06602	1.8
135.04552	0.7
137.02441	0.5
143.05046	22.3
144.05353	1.5
145.02994	3.9
145.06628	1.8
147.04567	0.6
158.03786	0.3
159.04529	1.3
163.04024	13.7
163.05394	0.7
164.04398	0.7
171.04558	2.9
195.08142	0.5
210.06845	0.4
211.07654	6.8
212.08011	0.6
219.08112	1.0
221.09727	1.4
222.06828	0.7
223.07646	2.2
224.08218	0.6
235.07646	4.3
236.08043	0.8
237.09238	7.3
238.09607	0.8
239.10771	4.0
240.11238	0.4
247.07703	0.9
263.07220	0.8
264.07883	0.6
265.08679	23.0
266.08975	2.1
281.08203	0.4
283.09515	1.5
284.10181	0.4
309.07648	5.9
310.08032	1.0
327.08740	100.0
328.09085	10.6
328.12946	0.6
349.04449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0871
Annotation	Garvin C
Peak:m/z	Relative Intensity
59.01384	0.9
60.19932	0.3
61.70415	0.2
71.01390	1.7
77.53949	0.3
80.02701	0.5
85.02953	1.0
88.11451	0.3
91.05539	0.3
93.03471	17.7
94.03835	0.6
96.99327	2.3
106.04243	0.9
107.05013	0.7
107.07603	0.3
108.02199	0.7
109.02973	0.5
115.00428	0.6
117.03476	2.0
119.05046	84.4
120.05389	3.8
121.02972	3.2
123.04526	1.4
130.04243	1.3
131.05046	2.8
132.05826	2.8
133.01422	0.7
133.02962	2.1
133.06644	2.3
134.03709	0.3
135.04517	1.3
137.02467	0.9
143.05046	11.8
144.05414	0.5
145.02998	1.3
145.06618	4.6
146.03149	0.3
147.04578	0.5
150.13824	0.3
157.06573	0.5
159.04486	0.4
163.04030	41.4
164.04384	2.2
169.06613	0.6
171.04521	1.0
176.04811	1.7
177.05605	0.8
181.06587	0.8
182.07416	0.7
185.05942	0.3
195.04526	2.8
195.08218	1.6
196.05017	0.3
196.08803	0.3
197.06100	1.4
197.09727	1.2
206.07344	0.3
208.38210	0.3
209.06158	2.3
210.06812	0.8
211.05960	0.4
211.07681	3.7
219.08130	0.5
221.06293	0.4
221.09724	1.6
222.06844	1.7
222.10121	0.3
223.07634	2.9
224.08411	1.5
235.07663	3.3
236.08093	0.5
237.09213	19.8
238.09647	2.5
239.10783	11.8
240.11139	0.8
253.08682	1.3
263.07129	0.5
265.08673	8.7
266.09033	1.1
267.10800	0.3
281.08292	0.4
283.09756	36.5
284.10086	3.6
309.07715	3.4
315.21582	0.4
317.08948	0.3
327.08740	100.0
328.09109	9.6
334.18582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0871
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.46823	0.2
56.21811	0.2
58.43640	0.2
59.01371	0.7
63.00846	0.2
66.80411	0.2
69.97884	1.4
71.01391	1.5
72.72373	0.2
73.05931	0.2
74.97437	0.2
85.02953	0.5
91.01918	0.2
93.03471	33.6
94.03802	0.8
96.99326	7.1
98.20612	0.3
103.05507	0.2
106.04255	0.5
108.02188	0.5
109.02965	0.5
115.00365	0.3
117.03482	2.5
119.05046	27.3
120.05357	1.0
121.02962	0.4
123.04543	3.1
130.04279	2.4
131.05046	7.9
132.05746	0.7
133.01424	0.4
133.02980	6.4
133.04507	0.3
133.06592	1.0
135.04497	0.7
137.02454	0.9
143.05049	23.8
144.05396	1.3
145.02975	4.8
145.06596	1.4
146.03337	0.3
147.04527	1.0
158.03802	0.7
159.04527	1.4
163.04030	13.1
164.04411	0.7
171.04543	3.7
177.05580	0.3
195.08231	0.3
203.03535	0.4
209.06197	0.4
210.06902	0.7
211.07658	7.9
212.08005	0.8
219.08163	1.2
221.09740	1.7
222.06961	1.2
222.09915	0.4
223.07660	1.8
235.07651	6.3
236.08092	0.7
237.09224	8.3
238.09561	0.9
239.10736	2.1
247.07692	1.0
250.06476	0.5
251.07092	0.3
263.07138	0.8
264.07721	0.6
265.08691	29.2
266.08963	2.6
279.06702	0.3
281.08160	0.8
283.09824	1.6
304.78156	0.3
309.07678	7.5
310.08038	0.8
327.08749	100.0
328.09082	12.0
328.19006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.5
69.40623	11.2
69.40961	1.7
70.77723	1.3
71.01380	14.6
72.99313	4.0
75.00861	1.6
80.59073	0.8
81.03459	0.9
87.00886	3.1
93.03468	7.3
105.01949	2.0
115.00379	13.5
117.03481	1.3
119.05050	24.8
120.05403	1.7
130.04247	1.1
133.01442	10.8
134.03754	15.3
135.03040	1.6
135.04515	8.8
136.01686	28.1
143.05043	3.7
145.06595	1.2
145.95689	1.0
149.06133	5.6
150.03268	5.7
151.04019	56.6
152.04382	2.4
156.60977	1.0
163.04016	8.9
165.04047	6.5
165.05574	5.1
177.64061	0.9
179.03574	3.4
193.05064	10.4
194.03287	1.1
195.04697	1.0
203.21211	1.0
208.07756	1.1
211.06123	100.0
212.06462	5.9
221.09824	1.1
223.07645	1.5
224.56664	0.9
235.07678	2.2
237.09267	6.1
239.10805	3.3
265.08701	3.3
283.09811	8.1
327.08734	36.8
328.09012	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01084	0.9
59.01381	17.0
60.06313	0.5
68.56180	0.4
71.00986	0.8
71.01385	16.3
71.71190	0.5
72.01692	0.4
72.99310	1.2
75.00887	0.9
81.03470	1.0
85.02979	0.5
87.00886	0.6
89.02480	0.7
89.91456	0.5
93.03473	0.7
108.02164	0.6
113.02533	0.5
115.00394	14.4
117.03403	0.6
119.05067	2.4
121.02928	0.8
123.04559	2.4
133.01460	5.4
134.03769	10.5
134.04665	0.4
135.03040	3.1
135.04523	1.5
136.01685	42.3
137.02048	1.4
149.06107	4.0
150.03264	1.6
151.04028	93.6
152.04367	5.3
163.04039	1.2
165.04097	0.7
165.05557	0.7
167.03493	1.6
181.05112	0.6
193.05096	3.1
211.06129	100.0
212.06447	7.1
237.09262	0.8
267.10867	0.6
283.09766	1.2
300.49054	0.5
327.09164	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	325.2021
Annotation	Plakortenone
Peak:m/z	Relative Intensity
51.42086	0.5
57.03387	0.6
59.01312	4.2
61.21569	0.5
61.98770	0.6
69.46101	3.9
69.46521	1.6
71.04543	0.5
71.04971	1.1
83.60574	0.5
85.26679	0.5
86.05107	0.5
89.43059	0.5
93.03417	0.5
97.06551	1.0
97.46961	0.4
99.08089	0.6
100.90007	0.5
107.61495	0.5
121.02952	3.4
122.03786	5.2
123.08194	0.6
134.04636	1.5
135.04501	1.0
136.05304	3.0
164.08347	1.9
165.12817	1.4
165.76955	0.5
167.14450	6.0
168.02173	0.6
168.04228	1.2
183.01115	0.6
193.16020	4.1
205.19640	0.7
207.17519	4.0
231.17613	2.5
233.15411	1.5
247.16931	1.1
249.18605	38.7
250.19019	3.6
265.17990	0.7
265.57019	0.6
267.62399	0.5
275.16522	27.4
276.16916	2.9
281.21191	7.4
282.21539	0.7
293.17584	100.0
293.66766	0.6
294.17938	12.6
303.02457	0.5
307.19156	4.4
318.66812	0.5
318.76663	0.6
325.20230	92.8
326.20511	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	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03453	0.5
59.01379	100.0
60.01734	0.7
63.71121	0.4
70.98162	1.0
70.98547	0.9
71.01389	7.6
72.99294	0.7
73.02940	2.2
74.99100	0.5
83.01405	1.2
85.02969	3.6
89.02442	3.0
91.26381	0.5
95.01437	0.6
99.00897	0.9
101.02454	6.5
113.02475	3.5
115.00407	1.3
119.03544	1.8
119.05042	17.8
119.05914	1.0
133.01466	3.2
134.04715	3.4
135.78894	0.4
136.99176	0.6
143.03528	0.9
150.03252	0.9
157.06909	0.7
159.03024	0.7
160.05566	0.5
161.04578	6.1
162.05035	0.5
163.04024	13.9
164.04373	0.7
165.05627	0.5
209.04543	0.7
231.18097	0.5
265.12897	20.8
266.13342	1.9
294.84409	0.5
325.09595	0.7
325.13614	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	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.6
71.01389	5.4
71.38918	0.9
71.39277	0.4
73.02970	1.3
76.72562	0.4
81.52862	0.4
83.01398	0.4
85.02969	2.0
89.02466	1.9
90.20235	0.4
93.56589	0.4
94.41335	0.4
95.01372	0.4
99.00900	1.3
101.02467	3.6
107.03681	0.5
113.02453	2.3
115.00402	1.4
119.03696	0.6
119.05037	16.6
120.05385	1.0
124.00789	1.0
133.01451	3.8
134.04753	41.3
137.36124	0.4
150.03264	0.7
155.84857	0.4
159.03061	0.5
161.04588	5.1
163.04022	15.3
164.04425	1.4
179.51080	0.4
209.04568	1.0
210.07684	0.6
265.12909	14.7
266.09027	1.8
266.13235	0.7
284.42676	0.4
325.10681	2.8
325.14645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
52.12057	0.4
59.01374	1.2
69.93587	3.0
71.01385	1.6
81.58030	0.4
85.02962	0.5
91.44059	0.4
98.19932	0.7
110.47157	0.4
115.00385	0.9
119.05043	100.0
120.05386	4.6
133.01436	2.8
163.04027	82.5
164.04359	4.3
165.05603	0.7
209.04506	0.8
273.35461	0.5
325.09369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56348	0.4
57.03446	0.7
59.01369	3.5
59.57714	0.4
60.64558	0.5
69.75853	3.8
71.01385	25.6
72.99308	3.7
76.86916	0.4
81.18553	0.4
82.52313	0.5
85.02959	3.2
87.00898	1.1
87.31003	0.4
89.02448	2.3
89.80161	0.5
91.03019	0.4
93.03455	0.8
98.02485	0.8
98.76832	0.4
105.03470	0.7
109.02956	0.5
111.00893	0.6
111.64605	0.5
114.05636	1.2
115.00386	41.3
116.00729	1.1
117.03488	1.4
119.05032	1.6
121.03017	0.6
124.01722	0.5
129.01994	0.5
133.01448	100.0
133.02879	4.9
134.01801	1.8
134.03764	1.1
134.04709	1.0
134.88760	0.5
135.04564	1.5
137.02467	0.7
139.04034	0.9
145.02971	7.6
148.05334	0.5
149.02406	0.5
149.06100	0.7
150.03238	23.2
151.03577	1.4
153.01933	1.0
159.04535	0.5
161.02486	1.2
161.06099	0.6
163.04022	1.5
165.04305	0.8
165.05597	8.1
166.63834	0.5
187.04074	0.6
191.01964	0.8
193.04994	0.5
194.02238	4.2
195.02539	0.6
204.43507	0.5
209.04553	23.8
210.04909	1.3
285.11661	0.5
325.09402	1.0
326.12451	2.9
326.16269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.9
59.01384	47.7
66.07395	3.2
70.20681	8.1
70.21090	12.1
71.01395	44.6
72.99303	8.6
74.02512	4.8
75.00879	4.9
79.95737	3.9
85.02956	11.2
87.00875	12.4
89.02433	11.9
91.65833	3.5
98.20572	3.8
99.00871	3.5
101.02440	5.7
102.26107	4.0
109.02984	4.3
111.00932	4.9
114.99660	5.2
115.00394	47.9
117.30725	3.6
118.66097	4.0
118.83569	3.2
119.05016	10.0
124.00764	15.0
133.01459	91.6
133.05098	100.0
134.04713	13.3
135.04504	8.9
149.04634	4.9
150.99640	3.6
175.02489	33.5
195.04509	5.9
325.11090	50.2
326.11404	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	323.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.3
59.01381	22.3
61.98823	1.6
69.85503	3.6
70.02964	0.8
71.01387	21.5
78.95924	0.6
85.02954	1.4
89.02462	0.9
96.00922	0.8
96.96021	0.8
98.19963	1.1
101.02453	2.4
105.07104	0.9
113.02469	1.5
113.03577	0.9
114.01981	1.3
115.00386	10.7
117.03485	1.3
118.04229	0.9
119.05064	3.5
131.03636	0.5
131.04958	3.9
133.06602	3.6
133.48868	0.6
147.04504	1.7
149.02464	0.6
149.06113	2.7
161.02586	0.6
175.04021	0.5
179.05881	0.6
193.04909	0.7
207.06636	100.0
208.02531	1.6
208.06981	6.8
263.07175	1.7
281.08243	1.5
291.06726	0.6
305.14853	0.9
309.07645	4.6
323.09253	2.6
323.15991	1.3
324.10062	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00584	2.8
59.01379	82.1
64.80014	0.7
65.57644	0.7
70.91984	1.0
70.92334	1.7
71.01386	44.3
72.99309	3.5
73.02938	1.0
76.52429	0.9
83.01404	2.6
85.02961	7.7
87.00880	1.6
89.02448	41.0
95.01392	3.5
99.08180	0.9
101.02450	27.7
102.02810	1.0
113.02467	17.1
114.01967	2.1
114.02715	0.7
119.03523	19.4
121.23843	0.7
131.03526	1.0
143.03500	2.4
149.04555	1.5
161.04564	1.7
174.03978	0.9
179.05637	2.5
298.97729	0.9
323.13467	100.0
324.13705	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03444	1.3
58.00597	4.1
59.01381	93.2
60.01714	1.1
70.06284	2.1
70.06721	1.9
71.01389	46.8
72.99321	3.9
73.02956	2.9
77.35581	0.6
78.95914	13.9
83.01427	2.7
85.02964	9.6
87.00914	1.7
89.02458	47.9
90.02785	0.8
95.01409	3.4
96.13824	0.6
96.35510	0.6
96.96989	7.0
98.20514	1.2
99.00900	2.7
99.08186	1.0
101.02461	29.9
111.02024	1.7
113.02467	16.3
114.01987	1.5
117.01947	1.8
119.03521	24.1
122.73971	0.6
131.03516	2.3
131.04567	1.1
143.03528	2.0
147.72827	0.6
149.04568	1.8
151.42183	0.7
161.04604	1.5
179.05658	3.5
211.00116	1.6
225.85175	0.7
323.03128	5.3
323.13486	100.0
324.13861	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	322.2024
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.73140	0.2
58.02975	1.9
59.01384	0.5
70.92575	0.4
70.92928	0.3
80.02714	0.2
81.03481	0.5
83.05038	0.2
95.05051	0.6
97.06618	0.5
109.06596	0.9
126.87120	0.2
128.10838	7.4
129.11180	0.4
130.08759	100.0
131.09108	3.5
165.12885	0.8
172.09845	0.3
322.20236	37.4
323.20569	4.4
331.71652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01723	1.2
61.98841	1.7
71.01382	8.1
73.02956	2.2
74.02471	0.7
79.95762	0.8
83.01401	1.4
85.02946	3.3
85.13584	0.6
89.02470	0.7
94.83141	0.6
95.64585	0.6
99.00906	0.9
101.02463	6.8
101.41654	0.6
105.58498	0.6
113.02503	2.5
120.99654	3.5
128.03648	1.3
132.03110	1.2
133.01488	2.1
134.03769	1.3
136.99219	1.0
146.04601	0.8
149.06133	0.8
161.02571	1.2
161.04640	2.9
206.04620	1.1
279.14459	7.7
279.17007	0.7
280.14948	0.8
321.06876	0.7
321.10663	2.0
322.09259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.87315	0.8
58.00578	0.8
59.01380	58.0
61.98860	0.7
67.52395	0.8
69.03459	1.8
71.01389	30.4
71.05031	6.3
71.68429	1.3
72.99322	1.7
73.02952	36.1
74.02487	1.0
78.95917	0.8
83.01393	7.2
83.69497	0.7
85.02951	5.0
87.00900	1.3
89.02455	6.6
97.29465	0.7
99.00861	1.4
99.04532	26.0
100.04842	0.8
101.02454	24.3
113.02460	7.3
115.00407	1.8
117.05595	33.0
118.05936	1.3
119.03505	1.9
120.99679	2.1
125.02448	1.3
128.03529	1.2
131.03517	1.8
133.01459	1.2
134.03757	1.3
134.06131	1.5
140.07191	2.2
140.87982	0.8
141.05556	0.9
143.03516	0.8
146.04556	1.2
146.08266	1.7
149.04631	1.3
159.06636	3.0
159.10252	1.1
160.04028	3.2
161.02487	0.8
161.04553	3.4
162.05615	1.2
164.03583	0.8
164.07185	1.1
167.54008	0.9
230.12128	0.8
243.13490	1.1
245.09326	1.9
261.09766	1.9
279.10907	3.9
279.14279	0.9
303.13452	8.7
304.13687	1.3
321.11911	100.0
322.09158	1.0
322.12149	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	320.0922
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
58.02974	1.0
59.01368	0.8
59.01635	0.3
65.60778	0.2
68.58039	0.3
70.02983	1.2
72.99274	0.3
74.02483	1.0
81.04588	2.3
82.02988	2.5
83.02521	0.7
83.87090	0.3
84.00912	4.1
84.04562	1.8
85.04093	0.5
86.02512	0.3
89.56132	0.3
91.94160	0.3
93.60440	0.2
95.90665	0.3
97.04089	2.9
98.02477	1.7
99.02021	1.0
99.05623	1.3
101.07228	0.6
107.02509	0.7
109.04105	2.0
110.02498	1.0
110.04491	0.3
111.02018	1.1
112.04027	0.7
113.03593	3.5
123.05597	0.6
124.02780	0.5
125.03586	39.0
126.03902	1.0
127.05154	52.7
128.03554	100.0
129.03903	2.5
135.05692	0.4
137.07156	0.3
138.15079	0.3
139.05147	0.5
141.06700	0.7
141.99721	0.5
143.04590	0.5
145.06204	6.7
149.07285	0.3
151.05122	0.3
153.03043	0.5
153.06749	0.8
157.06198	10.3
159.02354	1.8
159.07764	7.3
159.09012	0.5
160.00806	0.6
167.04607	0.5
167.08302	0.5
174.02266	0.7
175.05145	0.6
175.09735	0.3
179.04607	1.2
180.07780	0.5
181.06223	1.7
183.04150	0.4
184.04901	0.5
185.05579	0.3
191.05011	1.6
192.07829	1.8
193.06197	0.6
210.08852	13.8
211.09192	1.0
218.05522	0.3
219.94167	0.3
224.06767	1.6
236.06784	1.8
242.11470	3.2
247.64053	0.3
254.07825	0.9
268.09351	3.6
278.97205	0.3
286.10455	13.3
287.10773	0.8
293.78751	0.3
302.08054	0.4
320.09213	22.1
321.09467	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	319.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50227	0.3
58.02976	5.6
59.01382	0.7
62.34862	0.3
63.57066	0.3
67.08926	0.3
67.57911	0.3
69.87345	0.6
69.87750	1.3
71.02528	0.5
72.00913	4.2
80.86515	0.3
82.06631	2.5
84.08216	0.3
85.87214	0.3
91.05542	10.2
93.89474	0.3
112.07701	3.2
116.05122	0.3
118.06649	2.6
126.09299	1.5
129.10359	64.0
130.10748	1.8
135.04553	1.1
136.28902	0.3
147.04541	23.6
148.04852	1.0
153.10350	3.4
154.08759	10.4
155.09109	0.4
155.11975	0.4
164.07182	57.5
165.07549	2.6
171.11407	44.7
172.11775	2.1
173.04391	0.3
183.11446	0.9
197.52452	0.3
204.14087	0.4
216.13904	1.0
233.16585	31.5
234.16905	2.4
242.11771	0.4
275.17612	4.7
276.17865	0.4
277.15463	1.7
319.16641	100.0
320.16953	10.0
334.60272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0922
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
51.50728	0.6
54.32026	0.6
58.02985	1.6
59.01383	4.4
61.98833	0.8
63.95011	0.6
69.43950	6.9
70.02956	1.3
71.01375	1.6
74.02477	2.5
78.95904	0.6
81.04596	1.8
82.02998	3.2
83.01399	0.8
83.02501	0.7
84.00918	4.8
84.04571	1.5
85.02963	0.7
87.00901	1.0
93.24147	0.6
97.04064	3.3
98.02534	1.6
98.20090	3.1
99.05661	2.2
101.07249	0.6
102.05616	0.9
109.04070	2.1
110.02536	0.6
111.02034	0.9
112.04112	0.9
113.03585	4.0
125.03587	39.6
126.03936	1.1
127.05157	55.7
128.03561	100.0
128.05518	2.5
129.03905	2.7
139.05138	0.6
145.06207	6.0
151.05154	0.7
157.06200	11.8
159.02361	1.9
159.07776	7.9
160.00801	1.0
166.09787	0.7
167.08286	1.1
173.82715	0.6
179.04585	1.6
181.06212	1.8
184.04965	1.2
191.05051	1.7
192.07758	1.0
193.06136	1.3
210.08849	15.5
224.06789	1.5
236.06847	1.5
242.11501	2.7
254.07875	1.2
255.90205	0.6
268.09467	3.8
276.10236	1.4
286.10468	12.9
302.08121	1.1
320.05441	1.3
320.09265	26.8
320.12747	1.3
320.17212	0.8
321.08829	1.0
321.11990	2.7
325.24191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.4
59.01380	3.3
69.62846	3.6
71.01391	4.8
71.04990	0.6
72.99319	0.8
73.02596	0.5
73.02949	2.9
83.01392	0.8
87.00909	0.4
93.03412	0.5
98.16324	0.5
98.20709	0.6
101.02464	0.8
109.02965	0.9
112.01043	0.8
114.01981	0.8
115.00397	0.7
119.05053	1.9
135.02983	0.6
135.04533	0.5
135.08221	1.0
137.02451	1.4
137.09743	6.2
151.00369	1.6
155.10803	100.0
156.11133	6.1
163.04004	0.9
165.65952	0.5
178.99883	0.8
199.09776	60.4
200.10132	3.8
203.06482	0.9
255.11372	0.6
273.12411	2.0
291.34024	0.5
317.03009	2.2
317.12479	16.5
317.15698	0.7
317.19492	2.8
318.12793	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	318.092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.86772	1.2
61.98832	100.0
65.47464	1.3
69.65116	6.6
69.65527	2.5
72.99329	1.1
78.55238	1.2
98.19931	2.5
99.92589	1.9
120.09071	1.3
127.71413	1.2
154.68343	1.3
189.35049	1.5
206.15590	1.2
299.78842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01381	8.1
66.12048	0.9
69.37325	6.0
69.37743	2.8
71.01385	4.5
75.23762	0.7
84.04559	1.7
85.02961	4.9
92.59575	0.8
95.05048	1.4
98.20637	1.6
110.02498	1.3
112.04072	12.8
113.02516	1.1
113.04403	1.0
120.04587	7.4
121.05368	10.5
122.06143	18.8
123.03295	15.2
124.04063	15.9
129.01933	1.6
134.06111	1.8
136.07703	97.0
137.06108	13.0
137.08035	4.1
138.05627	100.0
139.05968	3.4
140.07167	5.2
150.05637	2.2
153.31982	0.8
182.04620	10.2
183.05368	5.4
184.06168	24.7
185.06393	1.2
191.01874	1.1
191.46576	0.8
192.27182	0.9
214.12372	1.4
215.04326	2.1
232.13368	1.1
242.10577	2.3
252.65683	0.8
257.12955	22.5
258.13190	2.4
275.13773	1.1
301.12009	2.3
319.13052	6.0
320.13406	0.9
334.86584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
62.83108	0.4
69.03481	0.3
71.01385	13.9
71.05064	0.3
71.74061	0.4
72.99349	0.7
73.02988	0.5
79.86042	0.3
80.05061	7.0
80.18813	0.4
80.96590	0.4
85.02998	1.2
87.00917	0.5
92.87946	0.4
93.03497	0.7
102.66921	0.4
104.09825	0.4
106.06643	2.2
108.04566	22.7
109.03001	0.7
109.04947	0.5
110.06152	1.8
111.04601	0.6
115.00395	4.9
119.05032	2.2
120.99757	0.4
121.03004	0.8
122.06134	22.6
123.06509	0.7
133.01433	2.5
134.03767	4.9
134.06145	8.1
135.04552	3.6
136.01732	0.6
136.04074	0.6
136.05177	0.3
136.07761	1.5
137.02522	0.7
137.09781	0.7
138.05672	2.6
140.07198	9.4
141.07599	0.5
145.03018	0.3
145.05414	0.4
148.07687	0.8
149.06120	3.1
149.07208	0.7
150.05688	0.7
151.04070	1.4
151.07780	0.4
152.07193	19.0
153.02051	0.4
153.07605	0.6
155.10793	7.3
161.07249	1.2
161.39235	0.4
162.32474	0.3
163.04080	1.3
163.08807	0.6
166.05116	2.6
169.32079	0.3
179.03532	0.4
193.05089	2.1
199.09822	4.8
200.10863	2.4
201.24646	0.3
202.05614	0.7
211.06110	0.5
212.10919	0.7
213.09270	0.8
223.06068	0.4
225.10399	2.9
227.08412	0.4
228.09077	0.9
229.13538	0.4
237.10439	1.1
243.11400	5.8
255.11401	1.8
256.11734	0.5
258.10083	1.1
260.06888	0.4
273.12433	100.0
274.12750	8.6
317.11429	14.6
317.15903	0.9
317.19568	8.0
318.11792	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54968	1.2
59.01368	4.2
61.98821	2.0
71.01384	2.0
71.63258	1.8
85.65421	1.3
106.06638	100.0
107.06947	1.9
108.04531	1.8
110.02495	3.7
116.05070	3.7
122.06145	3.8
123.03266	2.2
132.04576	3.0
134.06129	2.9
138.05617	17.8
140.07199	16.6
144.08209	3.1
150.05615	11.2
152.03548	39.2
153.03874	1.8
157.08966	1.8
158.09779	1.3
166.05101	16.9
167.05891	98.0
168.06207	4.8
170.09744	2.9
171.10519	1.8
184.06401	1.3
184.11388	2.0
184.21846	1.1
186.12909	12.4
194.04578	2.3
195.19757	1.2
200.07205	2.7
201.07983	13.5
215.09534	10.3
225.06679	5.3
226.07529	5.8
230.11874	44.7
231.12119	2.3
237.10428	2.1
239.08284	3.3
240.09062	7.0
255.08659	2.2
255.11386	46.4
256.11703	4.4
273.12445	62.0
274.10434	10.0
299.10330	14.1
317.11426	95.4
318.11710	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	315.0512
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.01409	0.9
61.77142	0.2
64.26222	0.2
65.00327	9.4
69.48993	0.7
69.49416	1.6
78.01997	0.3
108.02214	0.4
108.99371	0.7
110.00142	1.3
111.00906	0.6
124.01817	0.3
124.98854	0.4
133.02965	2.2
134.03767	1.7
136.01649	0.4
136.98827	12.5
137.99374	0.3
139.00409	1.1
149.99652	1.0
152.01152	0.2
158.03770	0.4
159.04453	0.2
161.02490	0.5
163.08025	0.2
164.01186	1.0
164.98318	0.4
165.99060	1.8
166.71428	0.2
166.99785	0.4
172.05351	1.0
173.02473	0.6
174.03242	1.3
175.04062	0.6
176.90167	0.2
183.04555	0.2
185.02522	0.4
187.04094	0.5
188.04851	1.1
198.03227	0.3
199.04008	2.4
200.04897	1.7
201.01971	4.0
202.02715	2.2
203.03462	0.7
203.96687	0.2
211.04022	0.5
213.01967	0.6
214.02684	0.4
215.03539	0.8
216.04288	2.8
217.04707	0.3
226.02657	0.3
227.03525	2.3
228.04251	3.1
229.01463	0.4
230.02196	1.2
243.02995	2.3
244.03624	0.7
254.02257	0.4
255.02966	1.1
256.03729	0.6
267.45114	0.3
271.02411	1.0
271.10678	0.5
271.13489	0.3
272.03299	0.9
283.02469	0.8
299.01971	2.5
300.02762	100.0
301.03104	7.8
315.05103	59.4
316.05426	5.4
335.14136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.75806	0.2
59.01374	1.8
63.18916	0.3
71.01390	0.9
71.30033	0.8
83.13303	0.2
89.02466	0.8
93.03505	0.3
95.05058	0.4
101.02436	0.4
113.02471	0.5
119.03573	0.3
122.03762	0.6
123.04542	69.4
124.04884	2.4
135.04585	1.6
153.05594	100.0
154.05930	4.5
315.10825	5.1
316.11209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48439	0.5
59.01365	1.4
61.09599	0.4
61.98816	0.7
64.11740	0.4
71.01379	0.4
71.72711	0.7
92.05060	0.9
104.05083	0.6
108.04580	0.8
118.02999	0.4
120.04532	0.5
121.02950	0.8
121.05369	2.6
123.03277	0.5
124.07684	2.2
132.04562	1.7
136.07700	31.2
137.08049	1.2
138.05621	2.0
162.05611	5.1
164.07190	4.6
166.05106	13.2
166.06465	0.8
178.05116	0.9
191.05850	0.5
223.04762	2.1
227.08286	0.6
227.11801	0.7
237.10382	0.9
241.09846	0.9
255.11351	2.2
255.23204	0.5
256.12222	0.9
271.07278	0.4
271.14841	0.4
283.10812	1.0
285.08664	1.8
286.09589	1.3
297.12369	1.0
300.02493	0.5
300.11191	0.9
305.73926	0.5
315.13489	100.0
315.25415	1.7
316.10196	0.5
316.13828	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	317.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17970	0.2
59.01385	0.4
64.10130	0.3
69.44090	2.9
71.01395	0.6
84.04557	0.5
90.03534	0.3
94.02970	0.5
96.08176	0.3
96.32904	0.2
96.97681	0.3
98.20624	0.6
104.05074	1.4
108.04520	0.3
118.02985	1.0
120.04588	0.4
121.05370	0.4
122.06136	5.0
124.04057	0.6
124.07702	4.8
125.08019	0.3
130.02991	0.5
131.03773	0.6
132.04564	0.5
133.01407	0.3
136.07704	11.8
137.08115	0.5
148.04021	0.4
149.04871	0.6
150.05634	2.1
161.07213	0.4
163.02824	0.3
163.04092	0.4
164.03619	1.7
168.06664	0.8
181.03825	0.8
185.07220	2.4
196.07736	1.9
197.07268	0.9
198.04356	1.4
198.07941	0.3
199.08621	0.3
200.10855	1.1
203.08366	1.4
207.20178	0.3
211.05089	0.3
211.08698	0.4
212.11035	1.5
225.06700	2.7
226.07431	1.4
226.11043	0.3
227.08260	7.9
227.11655	1.4
228.08549	0.4
229.06134	0.3
229.13507	0.6
230.11792	0.7
237.10320	1.1
238.08725	0.6
239.08284	3.3
240.09019	6.1
241.09528	0.6
243.07751	0.4
243.11353	5.0
244.08649	0.4
252.92818	0.3
253.09781	0.4
255.11388	29.9
256.11865	2.2
258.09982	0.4
271.43005	0.3
272.07980	1.0
272.71262	0.3
273.12436	100.0
274.12775	7.7
299.10309	0.3
317.11435	10.4
317.19455	1.5
318.11810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97563	0.3
58.88714	0.2
59.01376	0.4
61.98830	100.0
69.64846	1.8
73.20232	0.2
82.88860	0.2
102.05615	1.1
131.06168	2.3
178.58701	0.2
188.04709	0.3
203.17087	0.2
205.85316	0.2
217.09860	0.3
251.08524	1.2
271.13458	0.9
288.38535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03456	0.6
59.01384	3.8
60.42268	0.7
61.98827	0.7
70.59830	1.7
70.60212	1.9
71.01389	4.2
71.05034	1.5
72.04546	3.6
73.02959	1.3
74.02476	2.4
75.26627	0.6
78.95907	1.1
82.02998	4.5
82.06647	0.8
83.01405	5.6
83.02523	0.8
83.05013	1.8
87.00880	1.0
88.04050	24.1
89.02447	1.1
92.05074	1.4
95.05031	2.1
96.04496	0.9
97.06601	10.4
98.02486	9.2
98.06110	0.9
99.08152	1.1
100.07683	0.8
101.02464	2.0
107.05044	0.9
110.02480	2.0
110.06129	9.5
113.06110	1.4
114.05626	32.6
115.00386	2.3
116.07214	3.9
121.02985	0.8
122.06158	0.7
123.04499	1.0
123.08253	0.7
126.05624	3.9
128.03561	1.5
129.10356	0.8
130.08728	0.9
133.01422	2.7
135.04556	4.7
136.03958	1.2
136.04903	1.5
136.07674	1.4
137.09702	1.4
139.08821	1.6
139.11284	0.9
140.07188	2.1
142.12387	2.3
143.07138	1.3
143.11942	0.9
149.06053	1.1
149.09749	1.3
150.09286	3.9
151.04082	1.0
152.07133	1.3
153.01950	3.8
154.05086	4.4
157.05127	1.5
157.13495	2.4
161.06020	0.8
164.10834	2.1
164.31477	0.8
168.10323	19.1
169.09770	5.7
171.15054	1.4
175.02502	2.0
178.12347	1.9
180.13995	4.3
183.04846	2.8
186.11368	61.0
187.11691	3.4
190.08582	0.8
190.12314	1.0
193.08763	1.5
196.09819	1.5
198.04866	1.0
198.07718	1.5
199.10927	4.1
206.11855	2.4
208.09845	1.8
208.13449	4.3
219.22037	0.8
224.12933	2.1
225.16008	2.0
227.03801	1.2
232.09827	1.4
234.11417	1.2
242.14247	0.8
250.10886	5.6
252.12405	12.5
252.67986	0.7
253.12537	1.3
268.11945	2.4
269.11514	1.7
270.13474	32.3
270.21884	1.0
271.10593	0.7
271.13721	1.6
280.13336	0.8
283.29916	0.8
296.11386	2.1
314.12466	100.0
314.17047	9.6
314.20847	15.4
315.12759	7.5
315.15643	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	313.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97066	1.0
57.97562	15.3
59.01368	4.0
61.98823	2.3
69.69684	7.5
71.01359	1.8
72.00916	10.0
72.04986	1.0
82.81415	1.2
91.05548	3.1
98.19971	2.4
102.03510	1.1
103.01693	1.3
115.00317	1.1
115.27368	1.2
116.05041	8.0
116.92889	1.1
118.06648	10.5
121.02950	2.4
131.06166	27.2
135.02788	6.2
135.04527	4.4
143.06166	45.2
144.06479	3.1
147.04541	34.9
148.04829	2.0
162.03868	20.9
163.04225	1.6
164.07182	100.0
165.04913	11.0
165.07494	3.9
203.78789	1.0
205.28773	1.3
206.02850	6.7
218.09789	1.6
235.12401	23.1
236.12709	2.8
245.82414	1.3
253.09378	1.6
279.11386	46.7
280.11600	5.1
295.22821	1.6
302.85275	1.2
313.10159	5.8
313.20483	1.9
313.23837	12.3
314.10583	1.4
323.30975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98839	0.6
67.95808	0.3
69.56419	3.3
70.56258	0.3
71.01385	1.5
72.99284	0.4
74.02473	2.7
75.00887	0.7
80.05090	0.3
82.11305	0.3
85.59430	0.3
98.20574	0.6
104.03616	0.6
104.05032	0.4
106.06640	100.0
107.06962	3.8
109.02984	0.5
115.00356	0.6
117.39136	0.4
133.01431	0.6
135.03006	0.9
135.04532	2.8
148.05247	0.6
150.05626	44.0
151.05966	1.6
163.11226	0.5
164.03191	0.4
169.14107	0.3
179.03416	0.4
194.04591	60.2
195.04941	3.1
197.04520	0.7
206.15472	0.5
236.05544	0.8
253.09030	0.4
269.11740	0.7
282.13455	0.7
311.29639	0.7
312.07239	15.9
312.14569	4.1
312.18243	0.6
313.07596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07059	0.2
63.41194	0.2
69.37637	0.2
70.20976	1.0
71.01385	7.5
72.99313	7.1
100.45747	0.2
107.05036	0.4
109.02988	1.2
115.00391	10.6
116.00704	0.3
123.04546	4.2
133.01451	17.7
134.01826	0.4
134.03745	0.9
135.04541	100.0
136.04863	6.1
136.77090	0.2
137.02394	0.4
153.05589	7.5
154.05965	0.3
167.03613	1.2
179.02043	0.4
179.03523	5.5
180.03951	0.3
197.04556	20.6
198.04941	0.8
199.61533	0.2
249.88341	0.3
313.05835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21269	0.3
57.15265	0.3
70.08328	0.8
70.08727	0.5
71.01390	6.6
72.99301	0.5
89.48759	0.3
95.20953	0.3
98.20210	0.8
107.05035	0.6
109.02946	0.7
115.00392	8.8
123.04521	1.7
133.01454	15.9
134.03801	0.9
135.04544	100.0
136.04875	4.8
137.02505	0.4
153.05597	12.8
154.05894	0.5
167.03523	1.9
179.03477	2.0
194.39847	0.3
195.23305	0.3
197.04575	11.0
198.04936	0.7
223.06107	0.5
295.04721	0.3
313.05753	0.7
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	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.56945	0.6
57.03433	1.5
59.01369	6.2
61.98817	1.3
69.03463	0.7
70.65244	1.3
70.65651	1.0
80.86817	0.5
85.87296	0.5
97.06609	1.0
98.32588	0.5
101.02413	0.6
109.02946	0.6
111.08172	0.6
113.09730	0.9
121.10261	0.9
123.08188	0.8
125.09764	3.2
127.11309	4.9
129.09271	1.4
133.01404	0.9
137.09697	0.6
139.11304	9.4
153.09242	0.8
155.10754	3.1
165.09265	1.3
167.10748	0.7
171.10280	55.4
172.10645	2.2
183.01189	0.9
183.10222	3.5
185.11829	8.8
189.62645	0.6
197.11844	1.5
199.13353	1.2
201.11325	11.0
202.11629	0.7
211.13396	3.1
262.29260	0.5
265.21890	0.7
274.96136	0.6
275.20184	4.9
293.21228	14.5
294.21497	1.5
311.22284	100.0
312.22653	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.09723	0.7
57.03442	1.6
59.01371	1.3
61.91811	0.7
69.03474	0.8
70.90781	1.9
71.05042	0.9
83.05025	1.7
97.02948	1.7
97.06586	0.7
99.08170	2.5
113.09740	2.7
121.10268	2.5
125.09742	1.5
139.11304	10.8
149.13489	0.7
165.12840	1.3
167.14494	0.8
171.10280	25.5
172.10588	0.9
179.14293	0.8
185.11819	1.1
193.12357	10.2
195.13971	1.1
209.12000	0.8
211.13373	7.4
248.34094	0.7
249.22203	1.4
293.21185	17.9
294.21576	2.5
311.22281	100.0
312.22586	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	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03448	1.4
59.01378	7.7
61.95539	0.8
61.98823	1.3
71.14684	1.2
71.15020	1.0
110.80405	0.8
113.09716	1.0
121.10254	1.3
125.09731	2.3
125.33440	0.8
127.11308	3.1
129.09218	2.5
133.01437	1.5
137.09712	1.0
139.11317	10.2
142.10381	0.8
151.04037	0.8
151.11316	1.2
155.10815	1.9
167.10745	1.0
171.10295	47.4
172.10643	1.4
183.10283	3.3
185.11852	9.4
193.12311	2.5
197.11882	3.0
199.13470	1.1
201.11311	6.5
211.13379	6.6
249.22179	1.0
251.11412	0.8
275.20193	3.8
293.21219	20.7
294.21472	2.6
311.22281	100.0
312.22617	12.1
314.70947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
55.88806	0.4
57.03371	0.4
59.01311	4.2
61.98782	0.9
63.76284	0.3
70.60458	0.7
71.01327	0.9
71.04977	0.4
81.42387	0.4
84.75703	0.4
97.06557	0.4
101.02393	0.4
115.41177	0.4
121.02899	0.9
122.03677	1.2
133.01389	1.1
136.05299	0.8
167.14455	2.1
172.10500	0.6
193.15924	0.9
207.17583	0.9
223.20605	2.1
232.17709	0.4
249.18608	5.6
250.18886	0.4
251.11319	0.8
267.19620	100.0
268.19940	9.1
275.13834	0.3
275.16479	8.1
276.16769	1.2
293.14160	0.8
293.17569	37.5
294.17947	4.3
311.18655	46.7
311.22018	4.1
311.29736	1.0
312.19016	5.4
312.22455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01722	1.3
71.01394	18.8
71.26917	2.0
72.99320	3.7
73.02958	3.5
83.01418	1.9
85.02979	4.8
87.00906	1.4
89.02467	3.2
95.05061	1.0
99.00916	1.9
101.02457	9.0
101.02994	0.8
105.03499	2.1
107.05080	1.2
109.02979	4.3
113.02451	3.8
115.00397	23.7
119.03605	0.7
119.05058	2.5
121.02993	0.8
122.03787	0.8
123.04550	18.7
124.04887	1.4
125.02436	1.0
133.01477	55.7
133.03008	19.8
134.01828	1.5
134.03333	1.2
135.04552	4.2
137.02466	2.6
143.05045	1.0
146.08298	1.1
149.02876	1.0
149.06126	1.8
151.04025	21.2
152.04427	1.6
161.04614	9.6
161.06044	1.8
163.04073	1.1
171.04498	1.8
177.02007	2.5
177.05617	1.8
178.02748	2.7
189.05600	12.5
190.05986	1.2
195.02986	21.1
195.04654	1.2
196.03325	1.2
207.06700	1.5
221.04677	1.1
251.11372	27.4
251.13930	1.4
252.11768	2.6
311.08066	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.9
59.01380	4.2
61.36865	1.3
69.03455	4.8
71.01382	2.5
71.29638	2.5
83.05030	1.9
86.44453	1.0
99.00903	1.6
107.08672	2.0
108.05811	1.4
119.08685	23.5
121.10225	1.9
124.44511	1.1
125.09804	6.2
127.11300	2.8
133.01440	1.5
134.03752	2.8
135.08154	2.6
137.09735	38.7
138.10052	2.0
139.11292	1.8
149.09753	1.5
151.04077	3.1
151.07668	7.7
151.11290	1.3
152.08488	6.6
155.10777	4.4
164.33583	1.2
167.10744	4.5
171.10281	100.0
172.10551	7.4
183.10214	6.4
185.11841	21.5
190.10066	1.5
193.05054	4.5
195.10281	1.6
197.11790	1.3
201.11366	7.4
209.15474	13.1
213.11336	9.3
225.14841	1.6
229.19565	4.0
247.17268	1.3
251.16505	1.6
265.17981	1.9
273.18591	11.8
291.19641	36.4
292.19983	4.0
309.17072	19.3
309.20688	84.6
310.17786	2.2
310.21057	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73664	0.4
54.56113	0.4
57.72284	0.4
59.01374	1.2
65.61334	0.4
66.06677	0.4
71.01389	13.7
71.71452	0.5
71.71803	0.5
72.99311	3.1
75.83122	0.5
87.00920	0.5
89.02460	1.4
107.05042	0.7
109.02934	0.6
115.00388	38.9
116.00773	0.7
119.05053	1.6
123.04565	2.5
133.01453	100.0
133.02878	5.0
134.01785	2.8
151.04030	10.7
163.04027	1.0
177.00414	0.4
177.01944	1.4
177.05692	0.6
178.02771	0.5
193.05212	0.5
195.03043	5.8
195.05606	0.6
230.73438	0.5
320.10254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11662	0.5
57.03451	0.8
59.01380	100.0
60.01718	1.2
61.98831	0.7
70.87238	1.0
70.87601	1.1
71.01386	15.5
72.99318	2.4
73.02940	2.7
83.01403	1.0
85.02969	3.6
89.02431	3.1
95.01400	0.7
95.05048	0.8
98.20393	0.6
99.00921	1.4
101.02464	7.9
101.18633	0.5
102.02836	0.6
105.03492	1.6
107.05054	0.9
108.42320	0.5
109.02999	2.2
113.02456	3.2
115.00388	17.4
119.03554	0.7
119.05099	1.4
122.03745	0.8
123.04542	10.5
124.04948	0.6
130.60599	0.5
133.01472	39.1
133.03006	12.9
134.01790	1.4
134.03589	0.7
135.04536	3.4
137.02495	1.3
139.54123	0.5
143.05072	1.1
149.02751	1.1
149.06114	1.7
151.04025	13.3
152.04456	0.8
159.03093	1.2
161.04608	7.5
161.06123	2.6
163.04022	1.0
171.04602	1.7
177.01994	1.2
177.05618	1.6
178.02762	2.0
189.05579	11.6
195.03015	13.8
221.04538	1.1
251.11351	21.8
252.11855	1.5
311.08173	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01372	3.3
60.27908	0.7
67.01891	1.4
69.03471	0.8
70.48841	2.1
71.01368	1.1
83.05032	1.0
86.21261	0.6
93.07113	1.1
94.92268	0.6
95.04968	0.7
96.37302	0.6
96.96051	1.1
97.06602	1.6
100.80045	0.6
110.05463	0.6
111.08167	2.1
121.10248	9.1
125.09750	6.1
134.03780	3.2
137.09755	4.8
165.12772	0.7
167.10869	0.7
167.14346	1.2
171.10287	9.5
185.11836	9.6
187.91743	0.6
193.05063	3.3
195.13928	2.0
197.11824	3.1
209.11897	1.4
211.13411	57.0
212.13795	3.1
247.20827	0.9
291.19659	100.0
292.20047	10.7
309.17279	0.9
309.20721	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63902	1.1
57.03446	2.6
59.01382	2.1
67.01888	1.2
69.03449	6.2
70.73639	2.3
70.74043	2.4
73.85227	1.1
75.28666	1.1
80.02672	1.3
81.03424	1.6
83.05028	1.8
97.02969	36.2
97.06619	4.5
111.08164	1.9
119.08710	2.3
123.04556	1.5
125.09724	4.1
137.09709	3.3
155.10692	1.5
163.11253	4.1
165.09288	1.8
165.12883	13.1
169.38930	1.3
171.10303	22.8
172.10605	1.4
175.11240	1.5
181.12354	4.0
183.13940	2.8
193.12416	8.3
193.15932	2.5
206.11967	1.2
209.11821	5.6
211.13432	2.9
223.13489	2.4
227.12907	7.3
227.14865	1.4
247.20638	12.2
273.18637	5.7
291.19650	100.0
292.19968	11.1
309.20709	80.8
310.20956	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47919	0.8
57.03439	3.0
58.00587	1.2
58.95905	0.8
59.01380	5.4
61.98836	0.9
66.40359	0.8
69.03464	5.9
70.87508	1.3
71.01380	2.3
71.05042	1.2
77.41145	0.7
78.10825	0.8
83.05020	1.5
90.95579	0.8
93.07153	1.0
97.03003	1.2
97.06615	2.2
99.00894	2.7
101.06126	1.2
107.08659	1.8
108.05827	0.9
111.00859	0.8
111.08163	1.2
115.00360	0.9
119.08696	14.8
121.10239	1.4
125.09753	6.7
127.11312	3.1
132.24643	0.8
133.01457	1.3
134.03806	4.3
135.08202	2.2
137.09743	30.2
138.10089	1.8
139.11369	1.7
151.04037	7.8
151.07669	13.9
151.11322	2.1
152.08466	12.2
153.09154	1.5
155.10820	3.4
162.10535	3.3
165.05588	1.1
167.10788	4.4
169.12358	0.9
171.10289	100.0
172.10625	5.0
180.07996	2.3
183.10278	4.9
183.13950	2.1
184.07445	2.8
185.10196	1.3
185.11862	26.6
186.12154	2.0
190.10004	2.2
193.05049	3.8
193.08728	2.1
195.10245	1.9
197.11879	5.9
201.11369	6.7
208.11015	1.9
209.15479	24.5
210.15820	2.0
211.13368	3.6
213.11345	8.8
219.17593	3.1
225.14948	4.6
229.19623	3.0
237.14978	1.0
247.17084	2.1
247.20598	1.3
251.16638	1.9
252.09987	4.5
263.20044	1.5
265.18045	3.8
268.33197	0.8
273.18573	10.0
276.54050	0.9
277.18185	1.1
291.16190	2.2
291.19638	42.1
292.20007	4.4
306.99881	0.8
309.17084	46.3
309.20743	48.7
310.17426	3.8
310.21066	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.35865	3.1
57.03436	11.8
59.01374	29.6
61.98836	3.7
69.49598	26.5
71.01371	17.9
80.96513	4.5
83.05009	4.5
93.07110	4.9
96.95964	4.6
97.06592	4.7
98.20707	3.5
112.25601	3.2
115.00380	9.9
117.03481	4.1
119.08688	53.8
120.09035	4.3
125.09718	5.5
133.01442	17.9
134.03763	62.6
135.04224	3.3
137.09737	3.6
149.06075	6.2
161.06091	4.3
171.10286	92.5
172.10551	4.9
175.14915	6.1
185.11862	13.6
191.55348	2.8
193.05072	72.1
194.05508	7.0
195.13936	3.4
203.18063	4.7
229.19632	14.4
247.17029	44.2
248.17496	6.2
249.18680	3.6
265.18063	26.1
273.18588	56.2
274.18887	7.3
291.16568	5.4
291.19678	100.0
292.20047	11.9
309.17200	9.1
309.20694	95.9
310.21167	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01859	1.3
57.03436	4.3
59.01375	5.6
69.03457	2.0
71.01388	1.8
71.02502	3.6
71.05020	30.9
75.99269	1.1
95.05045	2.5
96.96009	2.1
97.06590	8.8
107.05010	2.2
117.03431	1.1
119.08680	2.6
121.06660	1.2
121.10251	8.1
123.08125	2.3
125.09761	8.8
133.01479	1.3
134.03740	4.9
135.08157	2.3
137.09738	37.0
146.27112	1.2
146.54858	1.2
171.10281	95.9
172.10631	4.0
175.14923	1.2
179.64417	1.0
181.12331	1.3
185.11847	13.6
193.05052	5.2
197.11905	1.2
207.13885	3.3
217.15891	1.4
219.13858	4.3
221.15440	1.6
233.15439	3.4
235.17006	4.7
237.14934	4.8
239.16631	2.3
247.20599	2.9
249.24394	1.4
251.16498	34.4
252.16901	2.1
273.18585	2.5
291.19647	100.0
292.20038	11.7
309.20691	97.6
310.21002	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	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36995	0.6
63.00911	0.6
71.01385	17.3
71.30724	1.3
71.31069	0.6
89.03959	1.3
115.00394	11.1
117.03468	4.7
133.01456	15.6
134.03763	50.6
135.04099	2.1
137.02449	0.7
147.74504	0.6
149.06108	3.6
160.19063	0.6
167.14760	0.6
173.46530	0.5
173.90639	0.6
178.02695	2.2
193.05084	100.0
194.05466	5.4
275.65704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53083	0.6
65.95624	0.6
71.01389	27.6
71.03088	0.8
71.03426	1.5
72.01723	0.8
89.03983	2.1
98.19974	0.7
115.00388	13.9
117.03490	8.3
121.02963	1.1
133.01465	10.2
134.03761	89.3
135.04073	5.2
137.02461	1.2
149.06102	7.2
178.02754	5.1
193.05078	100.0
194.05435	5.8
266.62100	0.7
312.55966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26871	0.6
69.73418	4.4
71.01386	11.5
72.99310	1.0
85.68121	0.7
87.30914	0.5
89.02459	1.1
101.29260	0.5
115.00388	25.1
116.54895	0.7
117.03504	2.7
133.01453	92.2
134.01852	3.0
134.03758	59.4
135.04114	2.1
149.05055	0.6
149.06073	3.6
174.44519	0.7
193.05074	100.0
194.05412	8.2
249.34920	0.5
252.16255	0.6
309.06244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75145	0.5
70.23969	2.1
71.01388	26.1
72.01706	0.7
72.99303	0.8
86.80801	0.5
89.03976	1.9
98.20560	0.5
106.04275	0.5
106.92313	0.4
115.00389	16.5
116.00790	0.7
117.03478	8.8
118.03819	0.6
121.03065	0.6
121.40089	0.6
133.01456	22.6
134.03761	90.8
135.04088	4.9
137.02478	1.6
142.68910	0.6
149.06104	6.6
150.06329	0.5
178.02692	4.4
193.05075	100.0
194.05418	9.5
210.00415	0.4
306.40768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71052	0.4
63.06258	0.4
64.96759	0.4
69.69307	3.4
71.01389	18.4
72.99338	0.6
89.03984	1.5
115.00389	14.0
117.03475	5.5
117.14960	0.4
118.03823	0.6
133.01451	22.2
134.03760	71.5
135.04054	3.6
137.02464	0.9
149.06093	5.3
150.06425	0.5
178.02750	3.8
179.03134	0.5
190.72368	0.5
193.05074	100.0
194.05397	8.0
194.07092	0.5
227.23572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80136	1.4
55.62944	1.5
59.01379	8.8
70.13039	5.9
71.01388	22.8
72.99308	4.0
73.02958	1.9
73.69492	1.3
75.70250	1.5
78.51567	1.4
84.70451	1.5
87.00889	10.9
89.02443	4.1
98.20577	1.6
101.02480	3.4
115.00389	47.3
117.01993	1.5
119.01099	1.6
119.03512	2.5
129.05643	2.0
133.01451	100.0
146.08279	2.2
148.56007	1.6
175.02528	18.5
205.05093	1.7
309.11899	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	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.7
61.98835	1.5
62.69105	0.6
65.33453	0.5
66.50961	0.6
69.57158	3.7
69.57571	1.5
71.01389	9.9
72.99318	1.2
73.02954	37.9
78.95926	0.9
85.02944	1.6
87.00853	0.9
89.02449	6.0
93.03501	1.6
99.00885	4.5
99.04551	0.8
101.02450	3.6
101.06083	1.7
101.40273	0.6
112.98853	0.8
113.02480	2.3
115.00372	3.4
117.01956	100.0
118.02298	1.2
119.03519	1.7
119.04935	0.6
121.02975	1.0
122.03778	1.5
129.05594	3.9
129.82961	0.7
130.08755	2.7
133.01457	7.6
139.04050	0.8
146.08287	1.4
147.06650	7.8
149.02473	1.5
160.07620	0.9
161.04581	1.0
161.06006	1.1
175.02451	1.3
177.05687	0.7
177.07623	0.7
193.01468	0.8
205.05110	3.3
273.02557	0.8
286.28439	0.7
309.06192	2.3
309.11893	31.4
310.12189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28450	0.6
69.46120	7.5
71.01389	25.6
71.27307	0.7
72.99315	1.2
76.52900	0.5
81.90896	0.6
87.00906	0.8
89.02438	2.1
89.03984	2.0
115.00391	29.6
116.00746	1.0
117.03484	6.8
133.01456	60.9
134.01747	2.2
134.03761	100.0
135.04086	5.3
137.02437	1.2
139.28644	0.7
149.06073	5.9
178.02702	2.8
193.05090	91.7
194.05423	7.7
243.50642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88406	0.6
71.01382	22.2
71.03407	2.1
89.03997	1.0
90.00600	0.6
90.80499	0.7
98.19917	0.6
102.62196	0.7
107.21088	0.7
114.99544	0.9
115.00383	19.9
117.03484	4.9
133.01450	47.8
134.03755	79.0
135.04086	2.6
138.99893	0.7
149.06108	6.9
154.60342	0.7
178.02737	3.0
193.05069	100.0
194.05450	6.6
274.71695	0.7
334.33389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23119	0.1
59.01376	0.4
61.98833	100.0
62.98528	0.3
63.99262	0.2
71.70009	0.2
81.43873	0.1
96.78342	0.1
121.02979	0.4
161.98964	1.3
162.98578	0.6
163.98685	0.4
164.96414	65.1
165.96481	4.1
206.97461	25.6
207.97569	2.0
216.88608	0.1
222.95409	0.2
264.96533	0.3
306.97552	22.0
307.97653	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	307.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
69.65092	4.8
69.65523	6.2
71.01388	5.5
72.00912	2.4
72.04551	25.2
73.02924	2.0
74.02500	1.3
74.28690	1.3
76.89142	1.2
85.02970	3.3
87.05650	11.1
88.04042	11.7
91.05538	7.2
95.02519	2.4
96.96030	2.3
97.04098	5.3
99.00932	1.4
99.05669	7.9
100.04060	100.0
100.99265	1.3
101.02464	4.2
101.04379	2.3
109.04108	2.3
113.03590	1.6
114.01951	3.0
115.05154	91.4
116.05499	2.3
118.06618	2.2
119.05032	1.4
128.03535	4.0
129.03961	2.5
135.04568	2.8
141.03154	1.9
143.04651	4.6
144.03049	55.1
144.04820	2.3
144.44997	1.4
147.04544	5.0
159.51566	1.2
161.04564	2.5
164.07205	1.8
173.07234	2.7
174.05588	2.2
176.07146	13.3
180.05132	1.3
189.06729	2.0
190.05144	3.5
191.11966	2.1
191.92030	1.2
201.10388	11.2
211.09125	1.9
212.32924	1.3
219.11372	3.0
220.06114	2.9
235.10887	50.7
236.11118	4.2
245.09308	27.0
246.09621	3.4
255.08191	2.8
261.08710	4.3
263.10379	16.8
264.10730	2.7
273.09109	2.4
289.08298	5.2
307.09097	4.0
307.17950	1.8
308.09708	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03448	2.3
59.01380	100.0
60.01708	1.2
69.63553	2.7
69.63967	1.1
71.01385	18.1
71.95066	0.5
72.99319	0.9
73.02956	4.5
74.02499	0.7
75.00865	0.7
83.01398	4.0
85.02958	14.4
87.00889	1.2
88.04066	2.0
89.02455	5.9
95.01415	1.5
97.02962	0.7
98.19789	0.8
99.00904	1.9
101.02455	13.3
101.03082	0.9
101.06145	0.9
103.07710	1.2
111.00926	2.2
113.02448	7.2
114.01986	1.8
115.00379	2.6
119.03503	2.3
119.05032	0.7
120.99673	4.7
128.03587	1.7
129.01924	3.1
131.04584	0.5
132.03041	8.6
133.01436	1.4
134.03789	3.5
135.04573	1.1
136.66071	0.5
140.13983	0.5
143.03610	0.9
143.04582	1.0
149.06102	1.8
159.03021	1.3
161.04582	8.1
175.04018	0.6
190.05090	0.6
192.06728	1.1
193.05113	1.4
205.03598	1.7
247.11761	0.5
265.12909	23.3
266.13318	1.9
288.10349	0.5
307.04773	0.8
307.07822	0.7
307.10867	0.6
307.14035	1.3
307.17801	1.7
308.07715	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	306.0767
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02979	14.1
59.01381	2.4
68.99545	1.8
70.02988	1.9
70.23568	5.3
71.01387	2.6
72.00908	3.0
74.02477	30.4
78.95915	1.0
81.04542	1.5
82.02991	4.1
85.04060	1.7
86.02493	11.5
86.06127	1.6
86.99090	1.7
87.05643	11.0
88.04054	1.5
90.00195	3.3
96.96961	2.4
97.04078	3.8
99.05654	26.1
101.07220	4.0
102.05585	2.1
103.73620	1.0
109.04083	4.2
109.07729	1.0
111.05633	1.7
112.04074	2.7
112.98609	1.5
113.03580	2.4
115.00349	1.6
115.82384	1.0
116.01766	1.4
116.99963	1.0
123.05643	2.9
124.04095	1.4
125.03586	2.5
127.05141	4.5
128.03557	65.1
129.03902	1.7
131.04646	3.2
135.03030	1.2
135.05685	5.7
137.07285	1.1
141.06715	5.7
143.04639	100.0
144.04976	4.0
145.06186	5.7
146.04625	8.3
149.07216	1.4
153.06702	6.9
160.00748	25.0
164.08414	1.0
166.09825	2.7
167.04646	7.9
167.08234	3.2
171.04071	1.2
171.07722	1.4
177.03397	10.8
179.03201	1.4
179.04649	18.0
180.07573	1.4
181.06204	1.8
184.10817	2.0
185.05646	3.3
192.07883	1.8
197.05664	4.2
198.08806	1.8
208.26062	1.1
210.08847	23.5
211.09123	1.1
228.09807	1.9
231.04407	1.2
242.07858	3.4
254.07819	29.4
255.08118	3.5
260.08676	1.2
272.08868	38.8
272.11838	2.0
273.09210	4.4
288.06598	7.8
289.06836	1.3
290.80768	1.0
306.07645	56.8
307.07840	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	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
52.76083	0.5
59.01365	1.1
61.98819	1.9
71.73000	0.7
74.11843	0.4
75.00986	0.4
76.42750	0.5
91.92028	0.4
121.95817	0.5
143.65672	0.5
165.37531	0.5
305.24863	100.0
306.25189	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	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02729	0.9
58.02976	10.8
58.96532	1.0
65.10617	0.7
66.41238	0.7
70.02976	2.3
70.49297	2.1
70.49710	1.8
72.00903	1.4
74.02481	22.6
82.02985	3.3
84.00973	0.8
84.04558	0.9
85.04067	1.0
86.02484	9.2
86.06127	2.1
86.99088	1.4
87.05646	10.2
90.00196	3.2
96.04553	1.0
97.04069	2.7
99.05656	21.7
101.07214	2.9
102.05621	1.6
107.06152	1.0
109.04077	3.3
109.07769	0.9
111.05676	1.9
112.04060	3.7
113.03575	2.0
116.01763	1.6
123.05650	2.3
124.04079	2.0
125.03600	1.6
126.01972	1.2
127.05188	4.7
128.03555	65.4
129.03911	0.9
131.04591	1.4
135.05659	5.4
137.07216	1.3
139.08667	1.0
141.06734	6.9
143.04640	100.0
144.04985	2.2
145.06169	4.5
146.04602	8.1
149.07185	1.0
153.06725	5.5
154.78548	1.0
155.08272	1.4
160.00755	25.2
166.09892	3.6
167.04646	8.2
167.08278	3.4
171.04138	1.4
171.07779	1.1
177.03415	9.7
179.04631	20.1
181.06178	2.8
184.10962	1.1
185.05748	4.0
192.07771	1.6
197.05678	3.2
198.08797	1.7
210.08839	18.0
210.10735	1.3
211.08989	1.0
213.03462	0.8
228.09853	2.3
231.04410	0.9
242.07890	3.9
254.07817	28.2
255.08255	1.0
272.08847	39.2
273.09094	2.8
288.06610	9.6
289.06601	0.9
306.07651	57.2
307.07971	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	306.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	12.9
59.01373	2.0
59.41038	1.0
61.98829	4.7
67.82158	1.2
69.86214	1.3
70.02984	2.0
71.01392	2.2
71.71202	1.5
71.71597	1.5
72.00911	2.3
74.02480	30.1
81.04596	1.9
82.02982	3.2
84.04543	1.8
85.04070	1.6
86.02483	12.0
86.06137	1.8
87.05657	8.9
87.67260	1.2
90.00176	3.2
97.04079	4.1
99.05655	23.8
101.07231	2.6
102.05633	3.5
105.59120	1.1
107.06165	1.3
109.04074	3.6
111.05672	1.6
112.04060	3.7
116.01817	1.5
122.87612	1.4
123.05659	2.1
124.04066	2.5
125.03611	2.1
127.05150	3.9
128.03560	65.4
129.03871	1.8
131.04649	3.0
135.05646	4.2
141.06723	9.9
143.04651	100.0
144.05003	2.6
145.06207	4.4
146.04611	7.5
146.95975	1.3
153.06725	6.1
155.04605	1.2
160.00768	27.0
166.09904	3.4
167.04642	4.9
167.08293	2.6
171.07803	1.6
177.03442	8.8
179.04652	19.8
181.06168	1.7
184.10686	1.5
185.05632	2.9
189.29102	1.1
192.07823	2.4
197.05721	3.5
198.08916	2.2
210.08871	21.0
213.03300	2.1
218.94365	1.3
219.71872	1.2
242.07796	1.9
254.07806	30.4
272.08875	34.9
272.11877	1.8
273.09125	2.9
288.06516	7.7
306.07669	61.0
307.07654	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	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
57.03446	7.0
58.00594	3.0
59.01380	100.0
64.04192	1.2
66.18757	1.1
69.03450	3.7
71.01387	66.6
71.72782	1.6
72.01749	1.9
72.03884	1.2
72.99318	8.1
73.02957	5.1
74.02476	4.8
81.03450	1.3
81.07091	6.5
83.01392	2.5
85.02958	35.6
86.02491	1.5
87.00890	4.0
87.05689	1.3
89.02456	58.9
91.09445	1.2
93.75303	1.1
95.01405	4.2
96.96053	3.1
99.00850	2.3
99.05577	1.5
101.02454	34.3
111.00900	1.3
111.02023	1.5
113.02454	21.8
115.00398	3.4
116.03570	1.4
119.03521	33.1
120.99692	1.4
125.06126	7.4
128.03589	5.7
129.01994	3.1
131.03595	1.5
133.01459	2.5
135.04498	1.9
143.03505	4.1
143.04659	6.7
146.06097	1.6
147.03119	1.4
149.04538	2.5
158.70277	1.2
160.00829	2.6
161.04579	4.0
179.05653	3.9
187.09683	2.1
188.58318	1.4
189.06848	1.7
191.02011	6.8
198.02864	1.4
209.03072	2.4
210.08859	2.1
245.03062	1.3
254.07843	3.6
256.60620	1.3
261.08902	1.6
272.08899	3.6
305.12448	74.2
305.15903	3.9
306.07626	5.4
306.12781	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	303.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86720	0.6
59.01378	37.0
60.01720	0.8
71.01385	11.6
84.04578	1.1
88.18284	0.7
96.04560	2.4
98.19901	1.3
107.03795	2.6
108.04567	23.6
109.04903	0.8
115.00410	4.6
121.05335	2.2
122.06138	53.6
123.04522	0.9
123.06490	1.5
124.07700	62.9
125.08033	2.5
130.08751	1.8
133.01445	4.1
134.06212	0.8
135.04550	4.8
136.07701	71.2
137.08064	2.4
150.05595	1.2
161.07275	1.2
167.05865	3.5
168.06679	100.0
169.07014	3.9
172.07680	0.8
180.06656	8.5
181.06850	0.7
188.10820	1.2
212.08424	0.9
215.08231	1.0
216.13963	4.8
228.08971	1.1
230.10629	1.5
231.11417	2.3
243.11311	4.4
259.14529	6.1
271.09528	1.1
285.12531	3.1
302.67093	0.7
303.13525	43.3
304.13895	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	34.7
59.03320	0.8
63.70531	0.5
70.15271	2.6
110.49086	0.5
111.67853	0.4
162.06998	0.5
168.13960	100.0
169.14326	4.9
212.11227	0.5
212.12843	2.9
214.90088	0.6
256.35254	0.6
304.19199	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48829	1.1
55.01875	3.1
56.73627	1.1
57.03442	8.1
58.00589	4.0
59.01380	100.0
60.01692	1.4
69.03470	3.2
71.00309	3.8
71.01385	70.4
72.01742	2.3
72.99321	7.9
73.02950	3.4
74.02483	5.9
81.07114	7.0
83.01399	4.6
83.05038	1.9
84.02219	1.6
85.02957	35.4
86.93829	1.3
87.00874	4.7
89.02451	69.1
93.03513	1.5
95.01392	4.1
99.00892	1.4
99.05637	3.5
101.02454	39.4
113.02476	26.7
115.00366	2.6
119.03521	29.8
120.99680	2.2
125.02457	2.1
125.06094	8.2
128.03561	6.9
129.01991	1.6
131.03506	1.6
135.04514	1.3
143.03532	3.3
143.04655	9.3
143.07138	2.2
144.04628	1.4
146.06172	1.3
147.03004	2.8
149.04544	2.5
160.00739	2.5
161.04556	3.3
167.29575	1.2
179.05695	3.5
187.09792	4.0
191.01996	5.3
209.03017	3.1
254.07808	2.8
261.08679	2.1
261.13190	1.4
265.99417	1.4
272.08929	3.4
305.12454	71.0
305.15884	3.9
306.07724	6.5
306.12787	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	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
52.19705	0.2
59.01372	0.5
61.57927	0.2
69.40307	1.8
71.01385	0.5
74.02487	0.7
86.15417	0.2
93.03469	6.0
96.96053	0.2
98.20654	0.4
121.02975	7.7
121.03859	0.4
123.00921	0.5
123.37151	0.2
124.01727	0.2
133.01466	0.2
137.02440	0.2
138.03238	0.4
139.04037	100.0
140.04390	3.9
165.01939	0.5
186.12514	0.3
222.69539	0.2
284.12585	0.2
301.09259	3.0
301.12262	0.3
301.15045	0.4
320.02988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39007	0.2
51.53722	0.2
59.01381	8.7
64.36941	0.3
71.51025	0.3
73.18467	0.2
79.13473	0.2
80.05065	2.6
92.05090	0.2
93.03442	0.4
94.06644	0.7
96.08200	0.5
97.01705	0.6
106.06643	5.4
108.04568	22.5
109.04902	0.6
110.06165	0.5
120.04570	0.8
121.02985	0.3
121.05344	2.6
122.06179	1.6
124.07696	11.2
125.08031	0.4
132.04578	0.3
136.07697	47.3
137.08055	2.5
140.07228	0.2
147.03293	0.3
149.06085	0.7
150.05638	2.7
150.09242	0.4
151.00388	0.4
165.04326	0.2
168.06654	1.8
170.01402	0.2
178.99886	0.3
182.07384	0.8
194.04572	0.4
197.09729	5.8
198.10034	0.4
211.11272	0.8
213.06784	0.6
213.10486	0.2
213.13895	0.6
214.12363	1.2
224.09567	0.8
227.08311	1.0
227.10654	0.4
228.09076	1.0
229.13515	0.3
239.11897	2.0
241.09973	0.3
242.10643	1.8
245.11838	0.4
257.12952	100.0
258.13266	10.9
291.18326	0.2
301.03659	0.8
301.11938	10.4
302.12250	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.49478	0.2
53.03694	0.2
57.03447	2.0
57.22292	0.2
59.01389	0.8
61.98846	0.4
63.79757	0.3
69.92268	1.6
71.01364	0.3
71.05045	0.4
81.03476	0.3
83.05048	0.6
84.68650	0.3
85.10748	0.2
93.33000	0.2
97.06593	0.3
100.34316	0.2
104.29239	0.2
111.08213	0.6
113.09758	1.3
125.09762	0.9
127.11288	1.4
141.12907	0.7
163.00342	0.2
167.14476	0.3
169.12457	0.6
189.01930	0.2
211.20695	0.9
214.26271	0.3
221.19127	31.2
222.19446	2.5
237.18591	1.5
239.20177	6.2
239.22485	0.5
240.20592	0.4
257.21198	1.7
265.18082	18.9
266.18506	2.0
283.19153	21.6
284.19537	2.2
289.07819	0.2
301.20206	100.0
302.20538	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00343	0.5
58.00591	0.3
59.01377	3.4
65.88093	0.2
68.01420	3.0
69.48034	1.7
70.02991	0.2
70.73830	0.2
71.01379	1.7
72.99300	0.4
73.02927	0.2
74.02482	0.2
78.95907	0.2
83.01434	0.2
87.05648	0.3
89.02451	0.7
94.06651	0.4
96.04575	0.4
98.02431	0.2
101.02440	0.3
101.87339	0.2
109.01723	0.4
110.06161	0.2
114.19456	0.2
115.00410	0.3
116.07213	0.2
119.03503	0.2
120.99680	0.3
122.02502	0.8
122.06168	0.3
123.03284	6.1
124.04052	0.5
124.07742	1.0
130.08763	2.0
133.01482	0.3
136.07693	0.7
137.04845	1.1
138.05634	100.0
139.05997	3.5
139.07661	0.2
140.07133	0.2
141.10368	0.2
150.05672	0.4
152.03584	0.2
152.07162	1.4
165.04301	0.2
166.05115	0.2
166.08763	0.6
167.05905	1.7
168.06685	0.6
169.09850	0.4
169.12691	0.2
180.06682	5.5
181.06995	0.3
185.16653	0.3
210.07741	0.5
213.13158	0.2
214.15636	0.3
222.07600	0.2
240.08687	0.2
250.34979	0.2
256.20377	0.4
271.02289	0.3
293.10141	0.2
300.10886	18.0
300.19119	2.3
301.11108	1.4
301.19357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	88.8
60.01717	0.7
61.98833	1.0
69.60603	0.2
69.61781	0.2
71.22843	0.8
74.99382	0.5
75.93672	0.3
101.44622	0.2
102.59638	0.2
114.98885	0.8
115.02528	7.4
116.02650	0.5
116.98666	0.5
117.00460	13.2
118.00553	1.0
146.58281	0.3
156.93143	0.3
156.99977	1.3
157.03612	1.8
157.90823	0.7
158.00043	0.4
159.01512	100.0
159.90553	0.4
159.97345	0.8
160.01640	7.6
201.02562	23.1
202.02835	1.8
214.50757	0.2
217.00533	1.0
218.00688	0.2
241.00575	0.3
245.87692	0.3
257.03647	0.6
259.01630	3.6
260.01648	0.6
283.01596	0.4
301.02670	54.4
302.02802	9.6
318.82999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1038
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.30656	0.3
53.31539	0.4
59.01389	0.9
69.97350	2.4
80.05066	3.7
92.05092	1.0
106.06641	1.2
108.04568	36.7
109.04880	0.9
110.06088	0.4
120.04587	1.2
122.06133	15.2
123.06483	0.6
134.06137	72.8
135.06483	2.6
138.05605	0.5
148.04086	1.2
148.07651	0.4
149.11725	0.4
166.05087	0.9
221.07190	0.4
222.08034	0.4
226.11124	0.8
230.66821	0.4
237.10320	3.7
240.09059	2.2
255.11375	100.0
256.11673	7.6
299.10364	9.5
299.16196	0.7
299.25778	0.5
300.10672	0.8
305.62787	0.3
318.71072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
57.03437	1.4
58.00588	5.1
59.01379	100.0
70.55157	2.9
70.88844	0.8
71.01387	67.5
72.01741	1.4
72.99329	6.2
73.02956	2.3
79.95741	1.6
83.01385	3.2
84.04565	1.1
85.02957	11.1
85.58081	0.9
87.00865	4.6
89.02454	81.3
90.02795	1.8
95.01384	2.3
95.05027	1.0
99.00899	1.4
101.02456	36.8
102.02821	0.9
107.05045	1.2
109.02908	1.1
113.01689	1.9
113.02456	24.6
115.00397	2.7
117.00794	2.7
118.01191	1.0
119.03528	34.1
119.05013	15.0
120.99632	1.8
130.08727	2.2
131.03505	2.8
133.01410	3.7
133.06615	1.0
134.01775	1.8
134.06116	2.5
135.01875	7.3
135.04523	2.8
136.02191	3.4
136.04852	1.2
136.07719	5.6
137.02335	3.5
137.06071	5.5
138.04657	1.6
138.05624	17.4
141.05539	0.9
143.03554	4.5
145.02971	2.5
149.04509	2.2
161.04549	4.1
162.02328	2.2
170.06439	3.1
178.05135	1.6
179.05626	4.4
191.87852	0.9
198.05582	1.6
218.85008	1.0
226.04985	1.1
227.13869	0.9
228.05450	3.4
230.98170	0.9
239.07228	1.1
243.07805	2.3
255.10397	3.1
256.09961	2.2
271.02451	5.0
299.01859	3.9
299.11377	20.9
299.16565	3.9
299.26025	1.6
300.10925	2.8
300.15704	1.4
300.19183	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	298.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09995	0.6
59.01381	27.1
60.01720	3.8
70.91930	2.5
71.01387	21.4
72.01736	4.8
72.99323	2.1
73.01803	1.0
74.02485	16.3
74.59528	0.7
74.99109	1.3
82.02991	3.3
84.00972	0.9
84.04588	0.8
85.02940	1.0
87.95805	0.8
89.02456	5.5
93.03475	1.0
94.03008	0.7
94.03854	0.7
95.21253	0.7
99.92519	0.7
101.02454	2.2
107.02532	1.5
107.05038	1.0
109.02969	5.8
109.04086	1.4
109.06606	3.0
110.03288	3.7
110.06967	2.8
112.04042	1.4
113.02457	1.7
113.03587	1.1
114.05634	10.5
115.00386	18.2
116.00729	8.7
117.00806	4.9
118.01162	2.3
119.03542	1.8
119.05044	3.2
120.05383	2.8
121.02981	5.6
122.03321	3.3
123.04186	0.9
125.03555	0.8
127.05148	5.6
133.01453	13.7
134.01785	6.8
134.04715	0.9
134.06149	1.3
135.01898	17.5
135.02939	1.4
135.04512	6.4
136.02234	7.1
136.04898	8.5
137.05081	1.7
137.06104	18.6
138.05553	0.8
138.06444	21.9
139.02261	1.8
139.06615	0.9
141.06711	5.9
143.11954	1.2
153.10403	3.6
155.01787	0.7
167.01752	18.0
167.11920	0.7
179.03508	1.1
179.11923	1.9
180.03870	2.2
180.10335	2.1
181.05109	53.0
182.05424	100.0
183.05600	6.2
183.11415	1.9
192.74490	0.7
211.00659	3.6
223.10899	11.1
225.50258	0.8
236.14070	1.8
254.15163	4.7
254.18767	1.1
298.06714	1.2
298.14163	19.2
298.17612	3.3
298.24594	1.2
299.11246	1.3
299.25934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01381	1.3
60.76322	0.2
65.00329	11.0
68.99784	0.2
69.67393	1.8
103.04427	0.2
108.02178	0.4
108.99267	0.8
109.73870	0.2
110.00064	0.9
111.00982	0.2
115.81704	0.2
117.03451	1.5
119.01338	0.7
120.18331	0.2
130.04277	0.3
132.02176	0.3
136.01646	0.4
136.98834	18.6
137.99133	0.5
138.05600	0.3
139.00378	0.5
143.05042	0.3
145.02959	1.0
149.99625	1.4
156.05769	0.7
158.03734	0.8
159.04547	0.4
163.00391	0.5
164.01161	1.9
164.98349	0.3
165.99164	1.1
166.99887	0.4
176.97890	0.3
183.04518	2.1
184.05273	1.5
185.02469	0.9
186.03232	3.2
187.03989	0.4
190.99907	0.6
199.03999	0.8
200.04782	3.1
201.05096	0.3
211.04022	2.2
212.04813	4.5
212.58502	0.2
213.05121	0.4
214.02667	0.6
216.04300	0.5
227.03488	4.1
228.04271	2.7
232.03746	0.2
239.03505	0.9
240.04204	0.6
255.02992	1.6
255.45178	0.2
256.03757	1.4
260.03113	0.3
266.02344	0.3
267.03024	0.3
283.02490	4.3
284.03256	100.0
285.03601	7.2
298.24823	0.4
299.05615	53.4
299.16306	0.7
299.18744	1.0
299.25800	0.4
300.05988	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	299.0563
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
56.19549	0.2
57.00714	0.3
59.01386	1.9
63.02401	1.9
65.00334	0.7
73.30171	0.2
83.01402	1.4
85.02970	0.5
87.00912	0.3
89.18732	0.3
98.20813	0.2
107.01405	2.6
108.29716	0.3
121.02950	0.4
125.02457	0.4
132.02180	0.5
133.02937	0.5
134.03745	1.5
136.03250	0.3
145.03003	0.4
148.01695	0.8
149.99608	0.5
151.00397	4.0
151.22508	0.3
158.03761	0.3
169.01398	0.8
183.04506	0.8
184.05307	0.4
187.04044	0.6
188.04759	0.6
199.03996	0.6
200.04787	0.8
211.04036	1.2
212.04614	0.3
214.02748	0.4
227.03517	3.1
228.04080	0.5
229.61652	0.3
239.03500	0.5
255.02966	1.9
256.03757	16.0
257.04077	1.2
283.02469	0.9
284.03253	100.0
285.03577	7.9
299.05603	80.2
299.25858	0.6
300.05957	6.7
300.13623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.8
60.01712	2.9
71.01385	43.3
71.01967	2.2
71.72854	1.7
71.73221	2.8
72.01733	10.7
72.99310	5.8
73.01798	4.6
74.02153	2.6
74.99747	2.3
86.52135	2.1
88.04048	10.6
91.02901	2.8
97.33839	1.6
101.44245	2.0
109.02958	2.9
115.00389	44.1
116.00725	26.4
117.00819	34.0
118.01176	13.6
119.05047	7.1
119.52382	1.7
120.05371	8.6
121.02972	88.7
122.03308	97.2
123.03465	3.4
133.01451	71.5
134.00783	3.4
134.01788	47.2
135.01886	99.9
135.04576	11.8
136.02209	44.9
136.04868	13.8
137.02441	10.9
137.05038	6.2
137.06116	2.7
138.05322	4.2
145.02937	2.1
167.01686	4.0
179.03514	4.4
180.03844	9.6
181.05132	48.3
182.05453	100.0
183.05559	5.9
297.24368	7.2
298.14026	4.8
298.17386	3.0
298.24640	2.6
299.16461	3.2
299.25858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01380	5.4
59.27473	0.4
69.44053	3.6
71.01377	1.1
84.90542	0.3
89.02462	0.5
93.45880	0.3
101.02446	0.3
110.14470	0.3
113.02472	0.4
115.00350	0.5
121.02885	0.4
133.01376	0.5
135.01846	0.5
139.11252	0.6
141.12852	1.4
155.10802	13.9
156.11086	0.8
161.04587	0.5
171.10310	0.6
183.01205	3.6
184.78427	0.3
237.09729	0.8
253.25264	0.3
261.22247	0.5
279.23276	13.7
280.23663	1.4
295.22781	0.9
297.15323	7.2
297.24350	100.0
298.15549	0.9
298.24664	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03435	0.9
59.01374	1.7
65.05296	0.4
69.03461	0.7
70.50137	1.1
70.50532	1.1
71.96482	0.5
101.31130	0.5
113.96625	0.5
115.00385	1.9
120.49721	0.5
123.20147	0.4
125.09724	1.5
127.11366	0.5
133.01443	4.4
135.04474	0.6
141.12871	1.1
171.10284	33.4
172.10587	1.8
179.03409	0.5
183.10269	1.3
233.22705	0.8
245.97179	0.5
277.21725	42.0
278.21997	4.4
295.22787	100.0
296.23114	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	297.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13611	0.4
59.01381	12.7
65.72923	0.4
69.76768	1.8
69.77193	1.2
71.01391	14.0
72.04910	0.4
73.02935	0.4
83.15957	0.4
95.14622	0.5
105.01965	1.6
109.03026	0.6
112.01590	0.4
113.77835	0.4
115.00400	8.8
119.05051	7.8
121.02980	100.0
122.03313	3.5
133.01460	4.6
135.04575	0.9
136.90643	0.4
158.62477	0.4
163.04028	0.8
181.05093	67.4
182.05453	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13611	0.4
59.01381	12.7
65.72923	0.4
69.76768	1.8
69.77193	1.2
71.01391	14.0
72.04910	0.4
73.02935	0.4
83.15957	0.4
95.14622	0.5
105.01965	1.6
109.03026	0.6
112.01590	0.4
113.77835	0.4
115.00400	8.8
119.05051	7.8
121.02980	100.0
122.03313	3.5
133.01460	4.6
135.04575	0.9
136.90643	0.4
158.62477	0.4
163.04028	0.8
181.05093	67.4
182.05453	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.113
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
50.35413	0.5
55.01866	1.5
57.03448	4.6
58.93726	0.4
59.01377	7.6
61.98824	1.5
63.61921	0.4
68.55839	0.5
68.99823	0.7
69.33096	0.5
70.89097	0.8
70.89433	0.9
71.01369	1.1
76.01164	0.4
77.00356	0.5
79.01894	12.2
79.05535	0.6
79.45989	0.4
80.24438	0.5
86.96609	0.4
87.04514	0.7
89.02375	0.4
96.39882	0.5
101.02454	0.5
102.14372	0.5
109.02974	1.0
115.05594	0.5
116.92907	0.5
121.06590	1.3
124.20624	0.4
125.06067	0.7
133.01456	1.0
134.01797	0.6
135.01932	1.0
141.07109	0.5
147.04550	0.8
149.06099	13.6
150.03220	1.8
159.08160	1.2
161.04552	0.6
161.05977	0.5
162.06822	0.6
166.06326	1.0
167.07127	3.0
171.04510	4.4
173.09744	1.2
175.07718	0.5
178.02782	1.3
183.01205	5.6
183.08087	2.3
193.03314	0.8
193.05069	15.5
194.05515	1.0
197.02777	2.1
197.09770	0.7
200.08484	0.9
211.11229	1.8
229.12280	0.6
237.09723	2.2
238.10176	0.5
253.12350	10.3
254.12764	0.7
255.10294	1.4
297.11349	100.0
297.15222	15.3
297.24304	6.8
298.11658	9.7
298.15021	0.7
298.24924	0.5
313.26260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	6.4
71.45872	0.7
72.99313	1.2
89.02451	0.8
104.46584	0.3
111.71547	0.3
115.00387	18.5
133.01451	100.0
134.01805	1.1
135.04538	6.4
179.03511	13.1
180.03911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52584	0.4
57.97552	0.8
59.01382	2.4
71.01380	6.3
71.90814	0.5
72.99310	1.2
77.87035	0.5
86.02484	6.5
89.02465	1.1
96.96049	0.6
102.03823	1.3
109.72388	0.5
115.00388	19.1
131.06137	5.2
133.01450	51.1
134.01791	1.0
134.03819	0.7
135.04546	7.8
146.02834	100.0
147.03145	1.9
148.02324	1.1
162.26358	0.4
179.03493	5.7
191.06502	32.8
192.06857	1.0
221.98817	0.5
229.79109	0.6
235.05502	2.8
251.06773	1.1
295.05768	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	295.0459
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
54.85419	0.2
61.29806	0.3
63.19330	0.3
69.78851	1.1
69.79266	0.8
71.01389	7.4
72.99318	1.9
78.12923	0.2
78.29580	0.3
80.26914	0.2
89.02463	1.1
98.20708	0.3
102.10088	0.2
108.12362	0.3
112.13950	0.3
115.00389	21.7
116.00728	0.4
133.01453	100.0
134.01758	0.7
134.03772	0.8
135.04541	11.8
159.39566	0.3
179.03514	15.6
180.03900	0.4
200.25073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
57.44188	0.3
69.40666	0.5
69.40749	0.5
69.41238	3.1
71.00986	0.7
71.01386	13.6
72.99327	2.3
73.33202	0.3
76.30785	0.3
84.07962	0.3
87.00899	0.3
88.39840	0.3
89.02462	1.2
115.00390	30.4
116.00739	0.8
133.01454	100.0
134.01781	2.8
134.03778	0.9
135.04549	11.8
136.04858	0.4
179.03519	12.8
180.03859	0.9
237.64751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13096	0.2
70.16612	0.9
70.17023	0.4
71.01382	13.6
72.99310	3.2
87.00913	0.6
89.02455	1.8
107.04971	0.3
114.23611	0.2
114.43392	0.2
115.00385	34.8
116.00728	0.6
133.01445	100.0
134.01779	2.5
134.03760	1.1
135.04539	11.0
136.04875	0.5
161.02350	0.2
179.03517	12.2
180.03860	0.6
213.59695	0.2
213.90501	0.3
225.24461	0.2
235.28250	0.2
301.88672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01385	1.6
59.23804	0.3
61.98811	0.7
69.59634	2.6
71.01384	0.4
71.05022	0.3
75.23524	0.3
93.63645	0.3
96.96016	0.9
97.06589	1.3
98.19905	0.6
121.10280	0.5
123.08161	0.7
125.09737	4.7
133.02946	0.7
141.12843	1.4
149.09770	1.4
151.11354	0.5
164.67134	0.3
171.10303	0.4
183.13902	0.7
185.11850	8.9
186.12151	0.5
197.11862	2.5
211.13443	0.3
216.41833	0.3
220.14738	0.6
221.15472	0.8
236.10545	0.7
249.22189	1.0
254.65532	0.3
274.44498	0.3
275.20187	0.8
280.40591	0.3
293.21213	100.0
294.21555	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.01378	2.3
60.29861	0.6
63.61181	0.6
66.84483	0.6
71.01386	1.0
71.05014	0.8
96.96021	1.0
98.02610	0.6
98.20628	1.6
101.64438	0.6
103.81861	0.7
105.03478	0.9
113.09706	0.9
121.10275	0.7
121.59264	0.6
125.09746	2.5
127.91365	0.6
133.02962	2.1
138.41783	0.6
141.12860	2.3
149.09702	1.0
149.12485	0.6
171.10313	1.7
177.01883	1.2
185.11842	12.4
197.11829	4.7
220.14754	0.9
221.15398	2.1
223.17020	0.9
227.40199	0.5
235.17041	8.3
236.10623	1.0
275.20184	11.3
293.21210	100.0
293.42654	0.6
294.21579	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	293.212
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
59.01360	1.8
61.98825	2.2
68.05036	0.8
69.03452	0.8
69.60239	2.8
69.60674	3.3
70.36816	0.8
71.01362	1.5
91.93257	0.7
95.05030	0.9
96.96007	4.6
105.03445	0.9
111.08179	0.9
112.39362	0.7
113.09721	2.6
120.07221	0.6
133.02962	4.7
139.11264	2.8
177.01939	1.7
191.18022	2.8
192.11540	1.0
193.15912	1.2
205.12254	0.9
220.14656	3.8
221.15462	8.9
236.10550	6.3
247.20662	2.2
275.20148	1.9
293.21210	100.0
294.21573	8.8
294.77917	0.8
312.33014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.15377	1.0
52.29083	0.9
59.01364	2.9
69.59941	0.9
71.19386	2.2
71.71314	1.1
92.49828	1.1
111.69791	1.2
121.10250	34.0
122.10585	1.7
171.10295	70.0
172.10620	3.1
177.16425	1.6
185.11850	3.0
231.21136	5.0
275.20154	100.0
276.20529	11.9
293.21219	63.6
294.21576	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	293.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54573	0.6
68.51488	0.5
71.01385	6.9
77.03964	1.7
80.19090	0.5
85.94962	0.6
89.03957	0.7
95.05044	6.0
102.56042	0.6
105.03465	16.4
115.00376	2.0
119.05059	0.7
123.04588	2.2
132.02197	2.1
133.02975	100.0
134.03310	4.1
151.04012	1.0
161.06169	1.0
162.97562	0.6
177.01945	37.6
178.02293	2.0
229.44188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
56.33676	0.8
59.01382	8.0
59.29165	0.8
61.98820	4.2
62.70665	0.9
65.17128	1.0
71.01388	3.7
71.37365	0.9
71.71730	1.2
71.72097	1.1
80.01335	0.9
83.05022	2.0
87.12212	1.2
92.56791	0.9
95.05032	2.4
96.96023	2.0
105.03510	1.2
110.24992	1.2
113.09742	1.3
127.07626	1.1
133.02992	8.3
135.11830	14.0
136.08943	2.5
155.00638	1.3
157.08728	45.8
158.09039	1.8
177.01953	4.1
177.16490	1.6
191.10686	1.1
192.11586	1.8
193.15904	4.9
209.15463	1.0
211.60544	1.0
220.14671	4.8
221.15488	10.1
231.21185	4.9
236.10551	6.0
249.18628	37.2
250.18947	2.4
275.20169	69.9
276.20508	6.2
287.37540	1.1
293.17831	6.3
293.21201	100.0
294.21530	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	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02975	0.8
59.01123	0.4
59.01385	4.3
61.98835	0.8
66.00240	0.3
71.01379	0.7
71.28494	0.5
72.99335	0.2
120.05108	0.3
121.67158	0.2
121.73228	0.2
133.02953	2.0
156.13957	100.0
157.14307	4.7
163.91351	0.3
166.97734	0.3
177.01958	0.8
200.12935	6.1
201.13358	0.5
205.12329	0.6
207.90340	0.3
217.07353	0.4
220.14735	1.9
221.15465	4.0
233.10220	1.2
236.10545	2.5
292.19266	1.4
293.14349	0.3
293.17590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14394	0.3
57.03441	0.3
58.02983	0.7
58.45597	0.3
59.01383	3.4
61.98825	0.9
64.40765	0.3
71.01382	0.7
71.20168	0.6
78.95921	0.4
89.92608	0.5
108.04517	0.3
113.09770	0.4
125.09772	0.6
133.03001	2.2
156.13953	100.0
157.14304	4.8
177.01947	0.8
177.09122	0.3
185.11868	1.2
197.11839	0.4
200.12929	6.4
200.14781	0.4
201.13281	0.5
220.14740	1.8
221.15491	3.3
233.10274	0.5
236.10585	2.1
251.12790	0.6
252.82755	0.4
292.09460	0.3
292.19519	1.4
293.14270	0.7
293.17856	0.9
293.21198	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17391	0.3
54.24454	0.3
57.03444	2.1
59.01370	0.5
61.98817	0.5
71.05007	0.4
71.07188	0.4
71.07504	0.4
78.48605	0.3
80.16181	0.3
93.07094	1.2
95.05023	0.3
97.06593	1.4
102.65775	0.3
111.08185	0.4
119.08668	0.4
121.10248	14.5
122.10610	0.4
123.08150	1.1
125.09737	6.7
127.07671	0.6
129.69260	0.3
141.12839	1.1
147.08142	1.1
163.11304	0.4
169.08632	0.4
170.96292	0.3
171.10255	0.6
177.12811	0.4
185.11844	15.2
186.12189	0.7
194.03682	0.3
196.13693	0.3
197.11841	3.4
205.33252	0.3
209.11880	1.6
211.13400	2.0
223.13359	1.2
247.13394	0.6
247.20660	0.6
273.18649	1.3
291.19635	100.0
292.19983	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.47358	0.5
53.04927	0.5
59.01368	1.5
61.98822	1.5
68.83629	0.5
71.17056	0.4
71.29410	0.6
71.29768	0.9
80.96522	2.0
99.92593	0.5
116.92822	0.6
121.02988	0.8
123.32430	0.5
133.05333	0.4
145.07906	0.5
148.08932	1.2
149.09673	0.5
150.10553	1.0
151.11212	0.5
163.11276	1.0
165.12865	20.8
166.13191	1.1
167.57759	0.5
176.12059	0.9
177.12842	0.7
179.14459	0.4
191.14470	0.6
217.15981	1.0
247.20688	9.5
248.21013	1.0
273.18625	6.1
274.18716	0.4
290.38989	0.5
291.19653	100.0
292.19995	11.6
292.29199	0.5
299.26868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92731	0.3
54.10303	0.3
55.01881	0.5
57.03459	0.5
59.01377	100.0
60.01708	0.7
68.60816	0.3
71.01385	4.7
71.73891	0.6
72.99349	0.5
73.02950	1.8
83.01403	1.2
85.02967	2.5
86.89069	0.3
87.00878	0.4
99.00911	0.9
101.02454	5.0
111.00874	0.4
113.02483	1.4
113.09679	0.7
124.87683	0.3
161.02505	0.6
161.04553	1.9
173.11835	9.6
204.10184	0.4
230.08012	0.4
231.03127	0.3
248.09364	0.4
249.13426	8.2
249.15875	0.6
291.14664	0.9
300.04669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95193	0.7
57.03447	0.9
59.01373	3.9
61.98826	3.1
68.43489	0.7
71.05023	21.8
71.41872	1.5
71.42193	1.0
76.28722	0.9
96.96017	1.0
97.06600	5.8
121.02957	1.6
143.31129	0.8
165.12872	1.3
179.01021	0.9
181.12387	1.9
195.13956	0.8
207.13901	2.3
209.04344	1.1
211.43365	0.8
219.13942	2.6
221.69060	0.8
235.17055	2.9
247.20633	2.9
257.24594	0.8
273.18384	1.2
291.19653	100.0
292.20004	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	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.03453	0.2
59.01377	0.7
61.98836	0.1
65.39072	0.1
70.79433	0.3
71.01379	0.2
71.92589	0.1
78.95880	0.1
83.36724	0.1
85.70978	0.1
96.19102	0.1
99.92613	0.2
111.08212	0.2
113.09726	1.3
115.00389	0.1
123.08182	0.2
125.09725	0.6
127.10449	0.2
127.11296	2.1
133.01456	0.1
141.09200	0.2
141.12888	0.7
143.10796	1.0
150.57275	0.1
165.62592	0.1
171.10281	0.1
211.20543	0.2
221.19099	0.1
223.20631	0.2
239.20110	0.8
241.21719	1.6
242.21994	0.1
251.20139	0.2
267.19467	0.2
269.21173	2.6
270.21555	0.3
285.20724	1.5
287.22256	100.0
288.22610	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	287.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20772	0.4
54.80000	0.3
57.03448	0.7
59.01377	3.4
61.98821	1.1
69.62063	0.9
69.62488	2.3
71.01377	1.5
71.05017	1.6
91.22083	0.4
98.19859	0.5
99.08160	0.8
99.92587	2.0
115.00385	0.7
116.92870	0.7
133.01443	1.1
140.69130	0.4
141.12860	0.8
155.14429	1.0
183.17590	0.4
185.11790	0.4
197.09851	0.4
212.80171	0.4
269.21167	5.3
285.20676	2.0
287.22284	100.0
288.22620	10.5
292.69772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.02966	0.3
59.01381	3.1
61.98831	1.1
65.03968	0.3
67.01854	0.2
71.01392	1.2
71.44028	0.5
81.03461	1.3
87.17894	0.3
88.53847	0.3
92.05078	1.2
93.03461	2.2
99.92603	2.1
107.03797	0.6
108.02220	0.5
108.04565	6.1
109.02965	6.2
109.03683	0.5
115.00408	0.8
115.92113	0.8
116.92906	0.5
121.02941	0.4
124.01684	0.3
133.01476	0.5
134.01677	0.6
134.02496	33.0
135.03304	9.0
136.04060	38.2
137.02480	1.1
137.04405	1.3
146.96712	0.3
148.04071	0.8
149.04849	0.7
162.01881	0.3
176.03535	4.3
177.04237	0.6
181.03809	0.5
190.05122	0.7
197.57968	0.3
202.19731	0.3
203.68864	0.3
232.26535	0.3
260.16492	0.4
283.48538	0.3
288.16040	100.0
289.16394	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92731	0.3
54.10303	0.3
55.01881	0.5
57.03459	0.5
59.01377	100.0
60.01708	0.7
68.60816	0.3
71.01385	4.7
71.73891	0.6
72.99349	0.5
73.02950	1.8
83.01403	1.2
85.02967	2.5
86.89069	0.3
87.00878	0.4
99.00911	0.9
101.02454	5.0
111.00874	0.4
113.02483	1.4
113.09679	0.7
124.87683	0.3
161.02505	0.6
161.04553	1.9
173.11835	9.6
204.10184	0.4
230.08012	0.4
231.03127	0.3
248.09364	0.4
249.13426	8.2
249.15875	0.6
291.14664	0.9
300.04669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98829	0.2
66.00987	0.4
70.14957	1.3
71.01379	0.5
71.40285	0.2
73.68246	0.2
76.98052	0.3
81.71976	0.3
82.04122	0.9
85.02966	0.4
88.04018	0.2
89.02434	0.3
90.00972	0.2
92.42194	0.2
93.39609	0.2
101.02463	0.4
107.03654	4.3
108.02052	6.2
126.03114	6.0
133.01584	29.0
134.01939	0.6
150.04233	100.0
151.02670	0.6
151.04706	2.2
163.41553	0.3
213.03442	0.3
223.08192	0.3
231.06154	0.3
260.94855	0.2
265.27124	0.2
282.08438	35.7
282.25073	0.3
283.08630	1.8
283.26425	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	284.1253
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
58.02979	1.8
59.01384	2.9
61.98828	1.6
71.01157	0.8
71.01497	1.4
77.78268	0.6
78.95911	1.0
80.96545	0.7
82.02988	2.4
83.06155	8.7
84.04551	2.4
85.04127	0.6
96.04572	0.9
96.96954	3.0
98.20190	0.8
101.07216	2.2
107.02514	0.8
109.04089	2.4
110.02496	0.7
111.05697	1.6
113.07226	50.6
114.05631	3.1
114.07530	1.1
119.05036	1.4
120.99680	2.8
122.03802	0.8
123.04553	1.6
126.01978	1.8
127.05157	17.8
127.08846	0.8
128.03535	3.1
128.05461	0.7
138.05647	0.8
139.08760	3.5
145.06206	8.7
153.01965	0.8
153.10373	1.3
155.08267	1.0
156.06685	1.3
178.09888	0.9
180.11440	77.5
181.09856	2.5
181.11755	3.8
195.11322	0.7
198.12491	71.1
199.12837	4.7
201.95474	0.6
206.09317	3.0
224.10400	14.9
240.13522	3.5
242.11464	6.4
243.11531	0.7
266.11450	42.6
267.09738	1.9
267.11856	2.4
283.26535	3.0
284.12524	100.0
284.26743	24.3
285.12900	8.3
285.27148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.29247	0.7
55.53423	0.7
57.03449	0.8
59.01377	90.5
59.59015	0.7
60.01707	1.1
69.60278	7.0
71.01379	1.3
99.04517	1.4
115.81062	0.9
131.09467	0.8
136.10672	1.0
183.08615	0.8
207.13937	2.4
209.11885	5.5
225.14964	6.2
227.12885	43.6
228.13232	3.5
269.13950	11.2
287.14990	100.0
288.15350	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	281.0879
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
55.62692	2.0
57.03448	2.5
59.01378	100.0
60.99277	2.1
69.73013	14.7
71.01389	34.2
71.50780	1.9
73.02956	31.0
74.55418	2.1
83.01387	9.8
85.02959	3.6
88.04009	2.7
88.98817	15.7
89.02422	9.9
96.96024	2.5
97.06554	2.8
99.65213	2.3
101.02446	30.6
113.02450	8.2
115.00381	3.3
125.02419	2.1
131.03520	3.9
132.03006	6.6
137.98538	2.2
143.03510	3.5
145.07671	2.8
148.26668	2.1
149.04549	3.3
161.04572	6.6
221.06650	3.2
237.14873	3.5
281.13843	3.7
281.17578	2.2
281.24869	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.8
59.01381	29.4
60.01720	0.7
60.99320	0.5
71.01392	3.6
71.74001	0.8
72.99306	1.1
73.02956	1.0
74.02468	0.4
75.00877	0.7
81.03440	0.4
83.01385	0.4
83.05051	0.4
85.02964	0.7
87.00865	0.8
87.04544	0.4
88.98825	3.1
93.03456	0.5
96.96028	1.0
98.24648	0.4
101.02451	1.3
105.09883	0.4
109.03001	0.5
111.45371	0.4
113.02460	0.4
115.00381	0.7
119.05061	1.1
119.08685	5.2
121.06535	1.7
123.08245	0.4
128.03580	0.5
133.01460	0.8
135.04512	0.5
137.09743	34.7
138.10083	1.6
139.58977	0.4
149.09732	1.3
151.11319	0.5
161.09723	1.8
163.04077	0.6
165.05638	0.5
167.14455	0.7
177.00052	0.4
177.12852	7.1
177.45648	0.4
193.07019	0.4
205.12325	0.5
221.11859	6.7
223.07800	0.4
237.14961	0.6
239.12886	100.0
240.13220	6.4
281.08350	1.7
281.13974	8.8
281.24780	3.1
282.14386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16291	0.4
71.01388	24.9
71.21822	0.9
72.01716	0.5
72.99317	1.0
93.03491	0.5
114.02723	0.3
115.00391	15.2
116.00709	0.5
119.05045	59.5
120.05363	3.1
133.01448	23.5
134.01727	0.5
135.04622	0.4
140.84805	0.4
163.04027	100.0
164.04366	6.2
164.97284	0.4
251.49997	0.4
271.56299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84830	0.4
69.48175	4.0
69.62156	0.4
71.00993	0.9
71.01389	16.8
75.53444	0.4
78.23845	0.4
92.11958	0.4
93.03439	0.5
100.03374	0.4
115.00394	10.1
119.05049	46.3
120.05402	1.5
133.01462	13.0
163.04042	100.0
164.04384	2.9
291.82642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92981	0.5
60.92435	0.4
71.01385	12.9
72.13007	0.6
72.99305	1.8
87.00900	0.6
89.02448	1.3
98.20744	0.7
115.00387	29.6
116.00737	0.7
119.05043	28.0
120.05388	1.0
127.92130	0.5
133.01451	100.0
134.01773	1.7
134.72693	0.4
163.04030	35.7
164.04378	1.9
177.05286	0.5
211.32280	0.4
212.32262	0.5
230.33325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16380	0.4
69.79253	0.5
71.01386	15.2
72.01727	0.5
72.77247	0.4
93.03472	0.5
98.20656	1.7
115.00397	8.1
119.05046	40.9
120.05379	1.7
133.01468	6.9
134.01750	0.4
163.04030	100.0
164.04376	6.4
178.67735	0.4
197.29091	0.4
212.01503	0.4
264.73529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33205	0.4
55.64203	0.5
56.07755	0.4
57.62812	0.5
61.75065	0.4
69.39207	5.2
71.01385	16.3
72.01727	0.5
72.99308	1.3
89.02468	0.8
93.81485	0.5
98.19839	1.1
115.00384	26.7
116.00761	0.8
119.05041	25.2
120.05415	0.7
132.57173	0.5
133.01448	100.0
134.01764	1.2
163.04024	37.1
164.04338	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22434	0.8
70.51215	1.2
70.51551	3.4
71.01389	32.0
72.99290	1.7
73.43709	0.8
76.60644	1.0
81.41576	0.9
89.02470	1.8
115.00389	35.4
116.00716	1.2
119.05046	65.1
120.05357	2.2
133.01453	80.6
134.01755	2.4
163.04028	100.0
164.04338	5.4
261.56042	0.9
276.84741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73796	0.8
57.97561	19.3
59.01377	3.7
61.98833	1.1
62.09641	0.9
64.07271	1.0
67.06576	0.9
68.37232	1.0
70.15175	4.4
71.01389	11.8
78.11360	0.9
80.09096	0.8
80.96525	1.1
91.05544	10.4
93.04556	1.0
96.96062	2.0
101.04338	1.8
109.07729	22.6
109.08429	1.5
113.06099	1.4
115.00382	7.5
116.05069	2.8
119.05038	18.6
123.09308	2.1
128.05434	7.1
130.08759	100.0
131.06171	17.6
131.09090	2.8
133.01448	13.1
135.04501	2.1
150.69427	0.9
163.02708	1.8
163.04036	29.0
164.04359	1.5
172.04390	6.6
183.11862	1.0
189.93037	2.0
196.17603	0.9
201.13988	7.8
245.12939	62.1
246.13274	5.8
261.10483	1.0
279.11801	8.3
279.23273	13.2
280.12369	1.0
303.81674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45787	0.2
59.01378	3.3
61.98823	0.2
69.39731	2.1
71.01394	0.3
83.05008	0.3
102.52384	0.2
102.60452	0.2
115.00883	0.2
127.07621	0.3
205.15912	0.6
233.19139	0.3
233.22746	0.3
235.13342	0.4
259.20517	0.5
275.20193	0.4
277.18332	5.3
277.21698	100.0
278.18628	0.6
278.22049	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01380	2.4
61.98822	0.2
66.52908	0.2
69.39339	1.8
71.01372	0.4
73.98087	0.2
79.95779	0.2
83.05003	0.2
99.04549	0.2
127.07659	0.4
166.02654	0.1
205.16086	0.2
233.19142	0.2
233.22791	0.4
234.31905	0.2
259.20557	0.4
273.72751	0.2
275.20255	0.4
277.21713	100.0
278.18921	0.4
278.22064	8.5
285.64917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.81112	0.3
59.01383	0.8
67.55875	0.3
70.22584	0.7
70.22971	0.5
71.01379	0.3
81.43313	0.3
96.31031	0.3
98.19978	0.6
194.11363	0.3
195.33694	0.3
251.10210	0.3
259.20624	0.3
277.21719	100.0
278.22049	8.4
294.58075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45474	0.8
69.43018	4.0
69.43443	5.3
71.01388	31.4
72.99303	2.5
77.45647	0.8
80.91707	1.2
87.02390	0.8
98.20663	2.0
115.00388	30.4
119.05042	75.1
120.05368	2.9
127.53325	0.9
133.01448	55.8
163.04024	100.0
164.04384	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	275.2017
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
57.97561	1.6
70.02988	1.9
70.60422	3.3
70.60812	3.1
74.94762	1.3
84.23139	1.4
88.63415	1.6
116.92882	1.4
120.63880	1.5
207.52960	1.5
231.21182	100.0
232.21428	7.0
275.20026	8.3
276.20798	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	276.9183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29274	0.3
59.01372	0.3
59.25184	0.3
64.95244	0.5
69.67649	2.2
71.50367	0.3
72.99289	0.4
78.95911	27.5
79.95766	0.6
86.02494	0.5
96.96030	13.6
96.96978	7.9
105.85906	0.3
127.08759	0.5
128.03557	3.3
134.96152	0.6
134.97086	0.9
136.94029	100.0
137.94099	7.1
137.95097	0.6
143.04659	1.3
154.70074	0.3
158.92551	0.5
166.19914	0.3
171.07776	1.0
176.98207	0.4
178.95030	4.8
179.01180	1.3
179.04692	0.4
194.93085	0.7
198.90709	0.6
212.51378	0.3
216.89833	67.1
217.89523	4.9
218.93074	1.0
220.94666	1.0
232.99713	0.7
234.90677	31.5
235.90752	2.2
254.07993	0.3
258.87540	0.6
258.91696	5.3
258.97531	0.4
272.08853	0.8
276.88611	1.2
276.91946	2.0
276.98819	20.2
277.21701	1.3
277.99173	0.6
294.94586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0768
Annotation	2,3,4-TRIHYDROXY-4'-ETHOXYBENZOPHENONE
Peak:m/z	Relative Intensity
50.33268	0.2
56.14606	0.2
59.01368	0.3
69.43490	0.6
69.43915	1.0
70.39427	0.2
81.03498	0.2
83.05027	0.2
89.83447	0.1
111.37707	0.2
145.06596	1.1
147.04515	0.2
157.76114	0.1
159.04539	0.3
172.50308	0.2
183.08089	0.2
185.09721	0.4
187.07620	1.0
188.04807	1.9
189.05583	9.3
190.05898	0.6
202.06410	0.2
209.06044	0.4
211.07593	0.9
212.04826	0.3
213.05563	1.0
215.03514	2.0
216.04102	0.2
220.03835	0.3
227.07101	0.2
229.05171	0.4
229.08691	3.6
230.05836	3.1
230.08295	0.2
230.09084	0.2
231.06619	12.5
232.06961	0.7
240.04172	0.2
254.05836	2.4
255.06619	13.1
255.15852	0.2
256.06964	1.3
257.04504	0.3
273.07669	100.0
274.08023	7.8
289.65466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1246
Annotation	Terezine A
Peak:m/z	Relative Intensity
53.66335	0.2
59.01371	1.0
68.97807	0.2
71.01383	0.9
71.73222	0.4
73.02915	0.3
80.05053	0.6
84.04534	0.3
90.03545	0.4
94.02979	0.6
94.06616	0.4
96.08213	0.5
99.58772	0.2
103.04340	0.4
104.05107	1.9
108.04565	2.8
115.00395	0.4
118.03017	0.9
120.04625	0.7
121.05334	0.4
122.02467	0.3
122.05299	0.5
122.06148	6.8
123.06494	0.5
124.04041	0.6
124.06864	0.4
124.07707	5.1
124.08614	0.3
130.03009	0.6
131.03770	0.5
132.04585	0.4
133.01427	0.3
134.06128	1.3
136.04143	0.3
136.07700	14.8
137.07997	0.5
138.05608	0.3
140.07164	0.4
144.04573	0.3
148.04056	0.7
149.04834	0.6
150.05624	1.6
151.00414	0.3
152.07179	1.8
157.07802	0.3
161.07195	0.3
164.03571	2.6
168.06656	1.3
173.04160	0.3
181.03827	1.2
183.05724	0.3
185.07268	2.9
187.14728	0.3
194.04529	0.4
196.07716	3.2
197.07242	0.8
198.04297	1.9
198.08015	0.3
199.04930	0.3
200.07257	0.3
200.10892	0.7
210.09377	0.4
211.05174	0.6
211.08794	0.7
212.09171	0.4
212.10835	1.3
213.11201	0.5
215.08090	0.3
218.23756	0.3
225.06720	2.5
225.10284	0.5
226.07332	1.7
227.08252	8.0
227.11772	1.6
228.08530	0.5
228.10504	0.4
229.09795	1.1
229.13463	0.4
230.11813	0.6
237.10243	1.3
238.08740	0.7
239.08255	4.4
240.09033	6.5
241.09450	0.6
243.11363	4.3
244.08679	0.4
244.11583	0.5
245.04550	0.7
246.08163	0.3
250.23270	0.3
255.11380	30.4
256.11700	2.6
258.10132	0.7
272.08029	0.6
273.12439	100.0
274.12781	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	272.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	12.8
58.18398	0.2
59.01387	0.3
61.98844	0.2
62.02346	0.2
66.03484	1.2
67.03017	0.2
68.05058	0.4
68.96015	0.2
69.42377	1.8
70.02979	0.7
71.01389	0.8
72.00925	1.3
72.04551	0.2
74.02476	18.0
80.03790	0.3
81.04600	0.8
82.02988	2.0
82.06612	0.2
83.02516	0.3
84.04554	0.7
85.04079	0.4
86.02487	10.6
86.06123	1.2
87.02832	0.2
87.05645	6.1
88.04061	1.2
90.74386	0.2
95.06178	0.3
96.04566	0.5
97.04083	3.1
97.07739	0.2
98.06123	0.5
99.05653	24.1
100.04075	0.5
100.05991	0.3
101.07220	2.9
102.05633	2.1
107.06158	1.1
108.04559	0.3
109.04078	2.2
109.07719	1.1
110.02528	0.3
111.03222	0.2
111.05630	1.7
112.04041	2.7
113.03600	0.8
113.07229	0.6
123.05659	1.9
124.04069	0.8
124.07580	0.2
125.03589	1.4
127.05167	1.1
127.29505	0.2
128.03555	59.3
129.03889	1.3
130.03853	0.2
130.08830	0.2
135.05649	2.8
137.07246	1.5
138.05647	0.3
139.01518	0.3
139.05147	0.3
139.08781	0.3
141.06718	2.1
143.04643	100.0
144.05031	2.4
145.06197	2.9
145.07249	0.2
146.04607	6.1
149.07239	0.5
153.06708	2.1
155.08255	1.1
164.08324	0.3
166.09882	3.1
167.04639	3.1
167.08270	1.8
170.03369	0.3
179.04637	13.0
180.04938	0.7
181.06206	1.8
184.10896	1.6
185.05695	2.9
192.07785	0.9
193.06270	0.2
197.05670	1.5
199.07259	0.6
210.08850	17.0
211.09134	1.1
228.09906	1.3
236.06808	0.2
254.07808	12.9
255.08038	0.7
255.11082	0.3
272.08853	19.0
273.09241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	11.3
57.03449	6.8
57.73571	0.7
58.00594	2.4
59.01382	48.7
68.99825	0.8
69.03447	1.1
71.01388	100.0
71.73029	1.1
72.01743	1.7
72.99306	4.2
73.02955	37.8
74.02483	3.0
75.00878	3.0
79.05490	0.8
81.03482	1.5
83.01398	17.9
85.02962	52.1
86.00112	1.4
86.03320	0.8
87.00880	4.4
89.02456	5.3
91.70097	0.7
92.30158	0.6
95.01402	6.9
96.16593	0.8
96.96021	2.6
97.02975	2.5
98.02499	2.6
99.00896	14.9
101.02459	81.4
102.02791	1.9
102.76828	0.7
107.05013	1.8
111.00872	1.4
112.04079	0.7
113.02464	43.9
114.02772	1.1
125.02466	2.9
128.03540	0.9
129.02000	1.9
130.83670	0.9
134.81337	0.8
135.04575	1.3
143.03561	3.7
153.09413	0.8
159.03046	8.7
161.04581	32.7
205.03580	1.3
225.11330	1.5
269.10361	12.1
269.21219	8.3
269.24860	4.9
270.10291	1.4
292.47900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.21716	0.6
57.03449	0.8
58.53819	0.6
59.01377	5.8
61.50233	0.7
61.98829	1.6
63.02400	9.3
65.00330	14.5
67.80377	0.7
71.73866	0.9
83.01389	12.1
83.05034	0.9
93.03466	12.8
97.30528	0.9
107.01402	26.4
108.01644	0.8
116.25073	0.7
119.05045	71.1
120.05373	2.4
121.02986	1.1
124.57697	0.7
125.02460	2.2
143.05016	1.0
145.02911	1.3
151.00391	61.0
152.00717	2.0
161.06082	1.7
165.01930	2.7
169.01454	5.2
177.01970	7.0
185.06126	1.2
187.02464	0.7
187.04018	2.2
195.56862	0.8
209.15431	1.1
211.13400	6.1
227.07144	1.4
254.99864	0.9
270.24756	0.7
271.06104	100.0
271.15518	7.3
271.19135	1.9
271.22797	4.6
272.06396	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98833	100.0
69.21991	0.3
71.48373	0.6
135.03183	0.6
142.99899	0.6
173.01096	0.3
268.07565	0.6
268.10394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98835	0.4
64.15156	0.4
69.63635	3.2
82.06640	0.6
85.90240	0.5
86.02491	1.0
94.82526	0.5
114.05627	4.2
120.01266	100.0
121.01593	1.5
154.08757	1.3
191.06474	0.7
211.55013	0.4
269.14426	0.8
269.17853	0.6
269.21182	1.8
269.24704	0.7
278.70053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
50.66436	0.2
52.04562	0.2
52.60709	0.2
54.05402	0.2
59.01373	0.8
61.98841	0.4
71.01369	0.2
89.94459	0.2
115.79111	0.2
126.67350	0.2
130.08141	0.2
153.07060	0.2
168.55017	0.2
180.05881	0.7
181.06612	2.3
182.03773	1.1
185.06104	0.3
196.05412	0.3
197.06105	2.3
198.06442	0.2
199.03960	0.3
207.04517	0.4
210.03253	1.6
213.05600	0.9
224.04741	0.9
225.05583	18.7
226.05939	1.5
227.03471	1.0
240.04318	0.5
241.05057	5.5
242.05396	0.5
269.04535	100.0
269.21201	2.7
269.24814	1.3
270.04868	9.7
270.07828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
59.01381	100.0
60.01719	1.3
62.06424	0.4
71.01419	0.8
71.05022	2.1
71.73149	0.6
73.77958	0.4
75.11219	0.4
76.83582	0.4
83.05051	1.7
85.02953	0.7
87.00902	2.9
95.05058	0.6
96.96034	0.9
115.00433	0.4
123.08282	0.6
125.05957	0.5
132.51976	0.5
135.04568	0.6
135.11870	0.6
161.09744	1.1
161.13376	2.8
162.13779	0.6
163.11334	1.9
187.11314	0.7
205.12360	0.8
207.10289	2.5
208.10643	0.4
223.13402	45.0
224.13763	3.4
267.12396	15.1
267.15759	1.0
268.12732	1.1
285.48755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
55.81306	0.6
57.03461	3.5
59.01379	100.0
60.01712	0.9
60.55175	0.6
61.98828	0.8
70.92937	2.0
71.05033	2.3
83.05062	1.7
85.03003	0.8
85.06631	0.5
87.00879	3.1
102.90658	0.7
121.02935	0.8
152.18765	0.6
154.06537	0.7
161.13370	3.4
163.11325	1.8
169.12360	1.0
181.44722	0.6
205.12325	1.2
207.10330	2.1
223.13397	47.4
224.13800	3.4
267.12424	6.9
267.15906	1.0
267.19669	0.9
268.12546	0.9
277.03445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
51.39374	0.4
59.01379	4.8
61.98836	1.1
63.60674	0.4
66.80357	0.4
71.01380	0.5
71.74153	0.6
79.95754	0.5
96.96020	31.1
113.43176	0.5
115.92085	0.5
121.02892	0.5
131.35568	0.4
134.89430	0.6
163.04045	0.8
186.31627	0.5
219.65787	0.4
220.77676	0.4
247.20802	0.8
265.14813	25.8
265.21707	100.0
266.15091	1.8
266.22061	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	266.0893
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.78038	0.1
59.01373	0.6
61.34422	0.1
65.01438	0.1
70.29153	0.4
71.01379	0.2
71.57963	0.1
73.02952	0.1
78.66654	0.1
80.96526	0.1
85.02977	0.1
87.00894	0.1
92.02560	1.1
96.96016	0.2
98.19956	0.1
101.02459	0.1
105.01945	0.2
107.03654	4.2
108.04014	0.1
108.21359	0.1
113.02415	0.1
115.00371	0.1
118.06628	0.1
127.05069	0.1
130.05991	0.1
134.04750	100.0
135.04230	0.2
135.05206	2.0
151.02652	0.3
160.07584	0.1
161.02509	0.2
166.54303	0.1
168.04121	0.1
222.09592	0.3
224.10445	0.1
253.02237	0.1
266.08957	6.2
267.09219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03445	2.8
59.01379	100.0
60.01715	0.6
71.05007	3.2
71.28273	0.7
71.28596	1.0
83.05043	0.7
87.00915	1.8
148.40709	0.5
161.13446	2.9
163.11330	1.7
165.88654	0.6
205.12292	1.0
207.10341	2.4
223.13391	53.9
224.13763	3.8
267.12421	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01381	3.2
61.98816	0.6
70.72962	1.0
71.01389	0.5
71.08655	0.3
83.05025	0.4
84.54818	0.3
94.02995	0.4
96.76875	0.3
126.98502	0.3
127.07619	0.3
139.34192	0.3
144.21504	0.2
219.21165	0.4
245.19138	0.7
261.18625	0.4
263.20160	100.0
264.20520	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49691	0.4
53.01891	0.4
55.01871	0.6
57.03441	1.6
57.29080	0.4
58.00588	1.8
59.01377	34.9
60.60685	0.4
61.98829	0.6
63.21990	0.4
71.01385	18.3
71.27948	0.8
72.99313	3.2
73.02932	1.1
78.95893	0.4
79.09725	0.4
80.96532	0.9
83.01379	1.4
85.02955	20.8
86.03284	0.5
87.00890	1.3
89.02453	16.8
95.01381	1.3
96.96101	0.5
99.00902	0.6
101.02455	13.6
101.06085	0.5
103.04020	29.3
104.04358	0.9
107.03804	0.4
113.02455	8.3
117.05592	1.0
119.03511	7.7
120.99675	0.5
127.05166	0.4
134.04742	1.8
135.04567	0.5
143.03502	0.8
143.68124	0.5
145.05078	1.6
161.04585	1.0
163.04088	0.4
165.06682	1.4
175.02556	0.8
176.00487	0.9
177.05586	1.5
179.05600	1.1
201.98450	1.8
209.49388	0.4
262.08368	0.5
265.09268	100.0
266.06848	0.7
266.09555	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.70629	1.2
54.32834	1.2
55.88558	1.1
57.03448	1.1
59.01091	1.4
59.01381	21.0
61.98824	2.1
71.01389	2.6
71.14738	2.5
71.15097	2.0
78.95912	8.7
79.63191	1.4
83.05047	2.0
95.05039	3.3
96.96024	3.9
97.06601	15.5
97.27190	1.1
99.08150	3.4
121.10250	61.2
122.10574	1.8
125.06088	5.9
139.07693	1.4
143.07159	99.0
144.07506	3.6
149.09695	2.7
149.13387	4.3
157.08731	4.3
167.10826	1.5
168.88905	1.2
169.08698	1.8
186.89903	1.6
203.18059	18.0
221.19046	2.1
247.17026	100.0
248.17390	9.4
265.14987	4.1
265.18079	91.0
266.18365	10.7
277.83957	1.2
280.17474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1278
Annotation	Leu Met
Peak:m/z	Relative Intensity
51.84974	0.5
59.01380	3.7
60.00456	0.7
67.06886	0.7
67.25267	0.6
69.43563	2.5
69.44001	3.9
70.02962	0.8
71.01392	1.7
73.02924	0.6
74.02486	5.6
78.04326	0.7
78.95921	0.7
82.06628	1.0
86.99608	0.5
87.00858	0.8
88.04125	0.6
95.05045	0.7
98.02486	1.8
99.92618	0.9
116.03558	4.2
119.05040	2.4
129.10368	1.3
132.04596	1.7
141.10379	1.3
143.07179	2.4
148.04399	10.0
155.11931	17.7
163.04063	2.5
169.13484	14.4
173.06166	1.2
187.09741	0.8
201.06424	0.7
207.11086	0.6
213.12459	29.6
214.12767	1.6
217.05035	0.7
217.13826	3.7
238.47273	0.6
257.08279	0.6
261.03986	1.5
261.08414	2.5
261.12775	100.0
261.22192	2.2
262.13104	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55197	0.3
51.47261	0.3
51.64469	0.3
59.01381	9.0
61.00510	0.3
70.89330	0.6
70.89663	0.8
71.01389	15.7
74.02477	0.9
75.73832	0.4
98.53326	0.4
101.02442	0.4
103.05528	0.4
103.20313	0.4
113.02523	0.4
115.00388	7.6
115.05170	1.2
119.05129	0.6
147.04547	100.0
148.04877	5.8
151.53326	0.4
157.76903	0.4
179.84166	0.4
213.36267	0.3
263.05460	0.7
263.10141	0.4
263.12817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08316	0.6
57.97553	2.1
59.01383	8.0
61.60138	0.6
65.28000	0.6
69.45209	6.8
71.00988	1.1
71.01385	23.1
72.01707	1.0
98.20680	1.1
115.00385	7.2
119.05023	1.0
147.04541	100.0
148.04875	5.2
152.15161	0.6
201.12961	0.6
204.11577	0.7
219.14056	0.9
248.95291	0.7
257.18170	0.6
263.12933	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	263.1398
Annotation	Val Phe
Peak:m/z	Relative Intensity
54.08268	0.5
54.29765	0.7
57.72423	0.6
59.01380	8.3
59.67414	0.6
59.94552	0.6
70.04464	2.6
72.00918	2.0
74.02469	2.0
79.95747	4.0
90.59352	0.5
91.05542	3.5
98.20451	0.8
99.92577	0.7
100.00429	0.8
101.02506	0.6
115.08788	70.0
115.92065	0.8
116.09116	3.3
117.03477	1.7
118.05111	4.1
119.05042	5.6
120.99612	1.1
135.04503	0.9
145.02989	6.4
147.04533	18.3
148.04881	1.0
149.02420	0.7
161.02516	1.3
163.04066	2.8
164.07176	10.6
165.07552	0.7
175.08043	0.8
219.15053	5.2
248.03271	1.9
263.05859	2.7
263.09476	3.9
263.13998	100.0
264.14401	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
63.96254	1.6
69.45811	2.5
69.94328	0.2
76.71471	0.2
93.96107	0.3
97.06581	0.2
119.77464	0.2
131.34895	0.3
137.59526	0.2
143.77599	0.2
146.15984	0.2
148.02405	0.3
176.85509	0.2
198.00516	1.1
245.79243	0.2
261.11331	0.4
261.22293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
55.01884	1.1
58.76744	0.7
59.01381	62.7
67.22599	0.8
69.43766	8.8
69.44170	1.3
71.01375	2.8
71.05001	1.0
73.02955	40.7
78.95911	2.9
80.99718	0.8
83.05032	2.1
85.02968	1.0
96.07526	0.9
96.96961	4.1
97.06585	5.3
107.05019	2.0
118.83431	0.8
123.08170	6.6
125.06110	18.8
126.06473	1.3
134.43250	0.8
135.04515	1.7
137.09767	1.4
140.87381	1.0
141.09277	4.2
149.06096	1.0
151.04195	0.9
157.71715	0.9
167.07149	8.8
179.03514	1.1
181.08749	3.0
185.08209	100.0
186.08623	5.2
197.11835	9.7
199.09773	10.6
202.75935	0.9
215.12888	1.8
224.20944	0.9
241.10924	3.1
259.11862	81.1
260.12228	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	260.0233
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
52.28273	0.5
56.32591	0.4
57.03442	1.6
58.02987	0.6
59.01354	0.6
70.02984	0.8
71.01392	2.2
71.59309	0.6
71.59646	0.6
72.00912	11.2
73.02974	0.6
73.04066	1.4
74.02477	16.3
78.95911	4.1
79.95739	22.3
80.96515	1.7
82.03014	1.1
84.04572	0.7
87.00868	3.0
87.05640	1.3
88.04057	1.2
93.03465	17.1
94.03814	0.7
96.00932	0.9
96.96034	0.6
96.96976	6.1
98.02475	0.7
99.00896	3.6
106.04264	3.9
107.05056	1.7
107.05846	0.5
108.02155	0.8
112.00397	0.5
112.98824	1.4
113.03547	0.5
114.01982	17.7
115.00375	1.4
115.05143	1.7
119.05041	53.2
120.05372	2.5
125.07167	0.4
126.05594	0.6
127.05186	0.7
127.08796	1.0
128.03554	1.9
129.10359	5.3
131.04715	0.7
131.09007	0.6
134.06108	1.6
135.04520	4.1
135.30695	0.4
136.07710	1.7
138.05569	0.5
141.10307	0.9
142.99899	1.1
145.06200	1.7
146.04617	0.7
147.87320	0.5
155.08278	1.0
156.06686	0.6
163.02713	0.6
163.04031	9.9
164.04373	0.6
173.00943	0.7
174.04077	2.8
180.06674	58.1
181.07079	3.1
182.04588	1.9
185.09277	0.7
185.99948	2.4
186.12503	3.3
198.12576	0.6
199.00720	30.2
200.00980	1.9
200.05611	3.1
200.28612	0.5
208.91782	0.5
214.01790	0.7
214.05547	0.5
215.00203	13.6
216.00554	0.6
217.98892	1.2
225.05246	0.5
230.11403	1.5
242.06854	1.0
242.99629	1.3
243.06227	1.0
260.02319	100.0
260.07773	14.4
260.12436	9.3
260.15079	0.6
261.02682	6.4
261.07281	2.0
261.10645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.022
Annotation	D-Mannose 6-phosphate
Peak:m/z	Relative Intensity
55.17925	0.3
58.02971	0.5
59.01379	0.8
69.51260	1.7
69.51691	1.7
70.02955	0.4
71.01388	2.3
73.02946	0.8
74.02469	4.8
75.01897	0.3
78.95908	60.1
79.95737	1.2
80.96493	1.6
82.02993	0.7
83.01409	0.8
85.02942	0.9
87.00872	0.8
87.05643	2.0
88.04062	0.4
93.03459	0.8
95.95276	0.3
96.00937	1.2
96.04566	0.6
96.96973	100.0
98.02460	0.6
99.00883	1.1
100.04008	0.7
101.02472	0.8
102.05626	0.7
107.05048	2.8
111.00893	1.2
112.04058	0.9
112.98837	2.7
113.37300	0.3
114.01981	1.1
115.00411	0.4
119.05049	0.9
128.03574	1.3
129.01945	0.6
129.10355	3.1
130.08754	2.6
131.04646	0.7
133.02980	0.6
135.04535	6.3
136.04895	0.3
138.98027	5.6
143.11960	0.4
153.06750	0.8
156.03041	0.4
167.08263	0.5
168.99081	3.2
169.06209	0.4
171.11272	0.4
171.15039	0.6
173.00940	1.1
179.03447	1.9
180.06680	1.2
187.00685	2.6
187.10872	0.5
197.05672	1.2
197.12962	0.5
199.00153	2.8
213.05150	3.2
215.00229	0.9
215.06764	0.8
215.10431	2.4
215.13982	0.6
223.00150	0.5
241.01279	1.1
241.04578	2.1
241.11913	0.4
242.07782	0.4
258.99246	4.4
259.02243	14.5
259.05478	1.4
259.07724	1.1
259.10571	0.4
259.12924	3.2
259.99786	0.6
260.02179	2.5
260.08075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01377	70.6
62.74634	0.6
64.44601	0.9
69.03474	1.5
69.25885	0.8
71.01379	4.5
71.05041	1.2
71.72167	0.7
73.02950	42.8
73.82198	0.9
78.95917	5.7
79.05551	0.8
82.94640	0.7
83.05029	2.8
87.00906	0.7
88.04008	0.7
93.03501	0.8
95.05061	1.0
96.96973	10.9
97.06584	5.4
99.04545	1.6
107.05058	3.6
109.02968	0.7
110.03794	1.3
111.08203	0.7
114.01914	0.7
115.04027	1.6
119.05042	0.9
123.08186	8.0
125.06094	18.6
129.01961	0.8
130.08769	1.2
134.03784	1.2
135.04538	1.9
137.09708	1.8
137.10689	0.7
141.05591	1.3
141.09250	6.7
159.06625	1.4
167.07150	8.4
179.10706	0.9
181.08708	2.7
185.08199	100.0
186.08540	5.6
197.11829	14.4
198.12123	1.0
199.09787	9.8
215.12901	3.1
216.06920	1.1
235.92615	0.9
241.10831	3.5
259.11847	80.4
260.12125	6.8
260.14926	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	257.1758
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
51.45653	0.2
57.03452	0.5
67.30333	0.2
69.55826	0.2
69.89159	1.7
72.77085	0.2
74.31482	0.2
77.84274	0.2
83.05049	0.3
98.20636	0.3
104.40368	0.2
158.93968	0.2
193.16002	0.4
195.17555	45.8
196.14842	0.3
196.17906	3.8
199.85088	0.2
213.18639	1.2
239.16524	47.8
240.16881	4.4
257.17572	100.0
257.94650	0.4
258.17908	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	258.1457
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
58.02954	1.9
59.01384	4.0
61.98843	2.3
71.01378	2.6
71.70078	0.7
71.70499	1.2
72.99303	1.0
74.02470	5.0
75.20725	1.0
77.46313	0.8
78.01073	0.8
78.95911	56.3
82.03001	1.8
82.06622	1.5
83.01404	1.4
83.06165	2.6
84.04529	2.2
85.02964	1.1
87.05644	3.7
88.04053	68.1
88.98843	1.0
89.04415	1.1
96.00907	0.8
96.96976	87.5
98.02500	0.9
99.00870	1.6
101.07207	4.3
102.05637	6.2
109.04099	1.6
111.00868	2.0
112.07687	3.7
112.98814	3.6
114.05594	0.8
115.00376	1.0
115.08814	1.4
127.05158	19.4
128.03548	15.6
129.02011	1.3
129.10365	41.6
130.05145	1.0
130.08759	26.9
130.10684	1.0
138.05650	0.9
138.98064	4.0
139.08794	3.5
141.10345	2.6
141.15579	0.7
143.11913	4.9
145.06230	7.1
145.09871	5.2
146.04610	1.4
154.00693	1.0
154.12418	1.8
155.00192	1.0
155.11954	2.5
168.99112	3.0
169.09866	8.4
169.13483	1.3
170.00150	0.8
171.15027	5.6
171.97418	1.2
173.00902	1.0
173.09274	0.9
186.12541	1.3
193.52470	0.8
196.14566	28.2
197.12971	2.3
197.14867	1.3
199.00143	2.8
213.05287	1.4
214.15611	8.9
214.19283	2.9
215.10378	1.9
215.13989	7.1
222.12450	3.8
230.08812	1.0
240.13548	19.2
241.11922	7.0
241.13889	0.9
258.14581	100.0
258.18176	13.7
259.02231	12.5
259.12811	23.3
259.14896	3.1
277.62997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
51.22749	0.1
51.42823	0.1
59.01367	0.3
70.04258	0.3
70.04675	0.5
71.01389	0.4
78.95908	63.7
90.47872	0.1
96.96973	100.0
97.97419	0.2
101.02474	0.7
122.90878	0.1
138.98039	5.1
150.98012	0.3
161.04547	0.2
168.99098	3.1
198.90675	0.3
199.00140	3.3
214.93622	0.2
216.90628	1.7
223.00140	0.7
240.91614	0.3
241.01147	0.8
241.04672	0.2
258.92090	0.6
259.02225	11.9
259.91910	0.1
260.02594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
60.01702	0.5
61.98832	100.0
70.14764	1.8
90.61198	0.4
92.73861	0.3
94.93415	0.3
94.98505	0.4
98.19858	0.4
142.99918	0.7
150.53940	0.4
155.61516	0.4
238.38211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23307	0.3
59.01380	4.0
60.01717	0.9
61.98832	100.0
70.97414	0.3
95.11169	0.3
98.20248	1.6
112.98813	0.5
123.99902	0.3
124.00725	1.5
142.99916	0.6
152.00243	0.3
178.94472	0.3
238.20470	0.3
254.07088	2.2
254.17615	0.3
255.23291	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	257.1296
Annotation	6beta-Hydroxyhuperzine A
Peak:m/z	Relative Intensity
59.01370	0.7
61.04896	0.1
71.05972	0.3
80.05065	2.4
80.76208	0.1
83.05044	0.2
88.04047	0.2
92.05074	0.3
94.06625	0.7
96.00916	0.2
96.08202	0.5
97.01694	0.5
106.06638	5.5
107.00204	0.1
107.06960	0.2
108.04568	20.4
109.04881	0.5
109.05479	0.2
110.06138	0.3
118.53866	0.1
120.04565	0.6
121.05352	2.8
122.06166	1.4
123.04530	0.2
124.07699	10.1
125.02439	0.1
125.07996	0.4
132.04538	0.2
134.06183	0.2
136.07700	48.1
137.08047	2.2
138.05609	0.4
140.07190	0.5
147.03258	0.3
148.07683	0.2
150.05629	2.2
150.09245	0.3
164.03539	0.2
165.04327	0.3
168.06682	2.1
188.05867	0.2
194.04640	0.5
197.09753	0.3
200.06018	0.1
201.07979	0.4
203.97261	0.2
213.06676	0.5
213.13937	0.8
214.03384	0.2
214.12381	0.9
214.95277	0.1
224.09453	0.9
227.08261	0.9
228.09116	1.0
229.09738	0.2
229.13431	0.5
239.11897	2.0
241.09850	0.2
242.10600	1.6
243.10968	0.1
257.12946	100.0
257.23618	1.3
258.13257	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33901	0.3
59.01379	81.2
60.01720	1.0
61.98830	100.0
64.94183	0.3
71.01383	1.4
71.40696	0.8
73.02924	0.4
74.02486	0.4
75.92326	0.3
78.95902	0.7
85.02953	0.3
87.00883	0.4
89.02482	0.3
99.00842	0.4
101.02422	0.8
102.91495	0.3
118.73738	0.3
142.99847	0.7
161.04558	0.4
170.67857	0.3
173.00902	0.4
193.07166	3.4
254.11407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
50.34849	5.7
55.74094	5.1
59.01377	100.0
59.16198	5.0
61.98828	37.3
70.75722	23.4
76.42232	5.6
91.53189	5.3
131.06860	5.1
142.54482	5.1
193.07153	19.3
253.21698	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01389	2.2
61.98817	0.7
69.59685	2.1
69.60104	1.2
76.15609	0.4
83.05023	0.6
91.03634	0.4
110.59460	0.4
121.05393	0.6
129.59711	0.4
205.19681	1.2
231.17653	0.7
232.13422	1.9
242.24054	0.5
247.17007	0.7
248.97299	1.2
249.18593	100.0
250.14551	9.8
250.18901	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	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42635	0.4
50.43897	0.4
59.01378	1.2
69.42442	4.0
69.42850	1.3
70.02962	0.5
71.01392	7.0
72.00957	0.5
73.25523	0.4
76.30150	0.4
83.14895	0.4
88.04051	78.2
89.04398	1.6
89.55322	0.5
91.05545	2.6
114.01972	4.8
115.00391	14.2
132.03049	100.0
133.03406	3.0
134.06169	0.7
135.04541	5.0
137.16179	0.4
139.85425	0.4
206.08252	1.9
250.07213	23.0
250.14481	0.9
251.07545	2.2
262.01407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22773	0.4
55.28722	0.4
59.01379	71.9
61.18080	0.4
71.01385	3.0
71.71471	0.7
73.02953	0.9
74.02486	2.4
74.99101	9.7
80.05079	1.4
83.01418	0.6
85.02958	0.5
87.00890	0.9
90.26326	0.4
93.03476	1.3
99.00892	1.3
101.02472	0.9
104.03506	0.6
104.05074	7.7
105.01932	0.6
108.04570	1.6
115.00337	0.5
118.98104	100.0
119.98478	2.0
121.02967	0.8
132.03134	0.6
132.04562	6.8
134.03557	0.6
135.04536	1.8
136.04030	2.1
136.04910	1.1
147.04553	0.7
147.70149	0.4
148.04080	4.9
149.02492	0.6
153.09242	0.9
158.02559	0.6
161.04552	1.7
164.07184	0.8
176.03514	4.4
190.05074	0.5
193.05339	0.7
193.07167	8.4
208.06139	6.6
209.06320	0.6
220.02583	0.8
222.07780	0.9
234.14961	0.8
252.05307	8.3
252.08650	1.2
252.15944	1.6
253.05316	0.7
253.08928	0.7
253.14297	0.8
253.21703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74271	0.5
55.22688	0.5
58.60989	0.5
59.01380	100.0
60.01714	1.4
61.98830	66.6
66.62856	0.5
71.01385	1.4
73.02958	0.7
83.98058	0.5
96.04980	0.5
101.02412	1.4
124.95247	0.4
142.99742	0.6
179.93913	0.5
193.07196	3.8
213.80057	0.5
229.28413	0.6
253.09116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.055
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
54.68479	0.7
58.02974	0.7
59.01368	1.3
69.44383	2.4
69.44817	4.7
72.00909	1.3
74.02470	2.6
82.03004	2.4
84.04565	2.6
86.02487	10.2
88.04032	1.2
96.04553	1.3
98.20660	1.2
102.98634	1.5
109.07736	1.4
120.01266	12.5
127.05173	4.4
127.08791	12.5
128.03557	100.0
129.03876	3.2
153.06721	5.6
171.07777	47.6
172.08099	2.3
175.02626	0.7
179.04637	0.9
179.53139	0.8
197.05742	0.8
215.06726	1.2
231.04440	4.5
232.13371	1.7
249.05513	9.6
250.14522	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35151	0.6
56.85652	0.7
58.02967	1.1
59.01368	1.1
61.01019	1.5
70.97474	1.0
70.97816	1.5
71.01370	1.0
72.00913	0.9
72.12569	0.9
73.31634	0.8
74.02480	2.7
78.95920	0.9
82.02991	2.6
84.04557	2.7
86.02491	10.8
88.04054	2.4
92.05070	0.7
96.97002	1.0
100.11675	0.7
102.98573	1.7
109.07748	1.0
120.01267	11.5
120.99640	0.9
126.05626	0.9
127.05145	3.7
127.08791	14.0
128.03554	100.0
129.03896	3.4
132.99548	1.7
135.04646	0.8
136.92174	0.7
142.23651	0.8
142.99899	2.1
144.33038	0.7
152.66956	0.7
153.06708	6.8
154.05151	1.2
171.07767	44.7
172.08080	3.3
173.00854	1.0
179.04739	1.3
197.05711	0.8
215.06792	2.5
231.04454	3.7
249.05524	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	243.1965
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
58.73553	0.4
59.01381	100.0
60.01710	1.5
61.98834	13.5
66.82001	0.4
67.01884	0.7
70.87363	0.7
70.87734	0.7
99.92598	23.5
110.02477	0.5
111.00921	0.8
111.12905	0.4
115.92077	1.6
116.92880	0.8
154.99904	0.5
173.92653	2.6
197.19054	0.7
197.90646	1.3
243.02896	0.5
243.19649	47.3
243.89847	1.7
244.19977	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	247.1123
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
51.85793	0.5
59.01389	3.3
60.48737	0.5
60.97519	1.1
62.07917	0.5
68.81981	0.6
70.98050	1.6
71.01398	1.0
72.99317	1.1
74.02478	5.1
78.95888	0.9
80.25448	0.6
80.96523	0.8
82.06633	1.7
96.96975	1.1
98.02485	0.6
100.04074	1.1
114.01913	0.6
115.08824	0.7
125.07242	3.5
126.05630	2.4
127.08817	1.4
139.08795	1.2
141.10359	17.4
148.04385	7.1
155.11923	16.0
157.06197	2.1
169.06194	6.4
169.09908	0.6
199.10899	33.8
200.11259	2.0
203.04961	1.6
203.12262	2.6
204.03383	0.9
213.08907	1.2
230.01515	0.7
232.03656	0.6
247.07347	2.6
247.11217	100.0
248.11438	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95511	0.3
52.29229	0.3
55.01865	0.3
57.03443	0.6
59.01371	1.3
59.10894	0.3
61.98827	3.4
64.74909	0.3
68.82951	0.3
69.53477	2.9
71.01374	0.5
71.05021	2.6
76.72241	0.3
83.05044	0.9
97.02971	2.5
97.06593	1.2
97.55167	0.3
99.00890	14.5
99.92605	0.4
100.01250	0.4
109.06605	1.3
110.02504	0.4
110.03745	1.2
113.02474	0.3
119.05000	0.5
123.08176	0.9
125.09728	4.5
126.10056	0.5
136.05292	0.6
142.02744	0.9
155.14420	1.6
162.65080	0.3
163.04025	0.5
163.11304	6.1
164.11610	0.5
181.12357	14.2
182.12645	1.1
186.26834	0.3
189.09076	0.4
197.11768	0.7
199.13411	9.5
199.15251	0.5
200.05505	0.3
200.13702	0.8
207.10272	29.9
208.10635	3.3
214.80818	0.3
225.11324	56.8
226.11671	5.6
243.12364	100.0
244.12694	10.9
244.15169	0.6
252.18893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1714
Annotation	Ile Ile
Peak:m/z	Relative Intensity
52.14847	0.3
53.71392	0.3
59.01387	0.7
61.98837	0.7
62.21997	0.3
66.03480	1.2
69.40105	3.7
71.01390	2.6
80.05105	0.4
82.02979	0.5
82.06635	4.8
84.08199	0.7
87.05650	0.3
88.04047	3.1
108.02185	0.4
112.07735	1.5
114.09283	0.8
119.05042	1.4
129.10362	4.5
130.08757	45.8
131.09097	1.6
134.03865	0.3
136.01308	0.3
141.10347	1.7
154.08746	0.5
157.13490	3.7
163.03993	0.8
165.03464	0.3
178.91492	0.4
182.15491	3.8
197.16539	0.3
199.18175	23.9
200.18527	1.6
219.06358	0.4
225.15985	0.5
243.13251	3.3
243.17126	100.0
243.98320	0.3
244.13846	0.4
244.17453	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	243.0623
Annotation	Uridine
Peak:m/z	Relative Intensity
50.00319	0.5
55.01872	0.5
56.77245	0.4
58.02975	0.7
59.01377	1.7
66.03486	13.9
68.01423	1.6
70.02989	1.3
70.76862	1.1
70.77265	1.0
71.01389	1.8
74.02473	1.4
76.29507	0.5
82.02994	27.8
83.01374	1.4
84.04559	0.7
88.04072	1.0
94.02990	2.8
96.00919	1.8
96.04568	2.2
98.61884	0.6
99.00905	0.7
108.04583	2.7
110.02494	100.0
111.02017	6.7
111.02840	4.5
112.98853	1.5
114.02001	2.0
117.01965	0.8
120.04591	0.8
122.02505	7.0
123.02782	0.5
124.04045	2.8
126.05599	0.7
129.10381	3.2
132.03000	0.6
132.85532	0.5
135.98253	0.5
138.05629	0.6
140.03566	10.2
142.99869	1.5
143.11874	0.8
145.01480	0.5
147.94652	0.5
152.03551	18.0
153.03020	8.6
173.00926	2.0
182.04620	1.0
200.05652	40.9
201.06020	3.1
205.03574	0.9
226.11978	4.9
243.06216	36.4
244.06505	3.0
244.13063	5.7
256.64090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24214	0.9
57.03437	2.1
59.01380	52.0
60.01726	0.9
69.48505	10.4
71.36622	0.9
73.02939	1.7
76.45086	1.0
80.91510	0.9
85.18115	1.0
97.21838	1.0
130.98961	1.1
139.11311	36.5
140.11668	1.3
143.29649	0.9
165.09161	1.6
181.12381	18.1
182.12558	1.8
183.10278	50.4
184.10626	4.2
199.13397	6.8
215.76759	1.0
225.11317	12.2
243.12375	100.0
244.12689	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	241.1083
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03448	3.6
59.01379	100.0
60.01710	2.3
60.99317	0.8
61.98835	5.9
67.05529	0.9
71.01375	1.2
71.05032	1.4
71.72768	0.9
73.02949	2.6
73.28110	0.5
79.95780	0.5
83.05046	1.7
87.00886	0.6
88.04047	0.9
90.74167	0.5
97.06615	0.6
99.04536	1.7
106.05179	0.5
115.00372	0.9
119.08680	2.4
121.06546	0.5
126.09251	1.3
135.08192	0.8
137.09756	5.1
139.07669	0.5
153.12851	0.7
161.09723	0.9
163.07654	1.4
179.10777	4.3
181.07207	1.4
181.08691	14.5
197.11839	48.2
198.12262	4.2
198.14967	0.6
223.09773	2.1
224.10075	0.5
226.06180	0.5
241.05223	0.6
241.10837	16.7
241.14398	2.5
241.18077	1.4
241.21751	3.1
241.26624	0.5
242.08275	0.5
242.10703	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07967	0.4
57.03452	0.4
58.02959	1.3
59.01381	2.6
61.98840	2.4
63.94860	0.4
66.03493	0.5
70.02967	3.8
71.72989	0.6
82.02989	25.2
82.06628	0.9
83.03326	0.7
84.00910	0.5
84.04541	2.7
85.87297	0.4
95.56625	0.4
96.04557	0.8
98.02499	0.7
98.95562	0.5
109.04111	0.8
110.02480	2.0
111.03265	1.5
112.04050	4.4
114.09254	1.4
126.09253	0.9
127.05134	4.8
128.03535	0.6
130.08759	10.3
141.09248	0.9
141.10368	17.6
142.10709	0.9
148.22504	0.5
154.12349	1.4
167.11928	0.7
168.09070	1.6
169.09796	1.4
169.13451	2.2
172.87018	0.5
179.26801	0.4
181.07240	1.3
195.07928	0.7
195.11360	0.5
197.09836	2.0
197.12970	75.1
198.13321	5.4
223.10875	0.5
241.11951	100.0
241.21565	2.4
242.12296	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	238.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74758	0.4
57.97559	18.4
58.02943	0.5
59.01378	22.8
60.97531	27.5
60.99305	0.8
61.98827	3.0
63.71956	0.4
69.38845	5.2
70.98351	16.7
71.01377	1.3
72.97549	2.2
72.97899	0.4
72.99312	15.1
73.98317	1.9
74.99100	17.1
75.00877	8.5
75.99409	0.5
84.00913	1.6
85.02937	0.7
87.00886	2.9
87.98644	1.0
88.97048	0.4
89.02478	0.6
90.98621	1.0
98.20666	0.9
99.00885	1.3
100.97050	3.6
105.00164	0.6
108.51069	0.4
110.34098	0.4
114.97329	1.5
116.05080	11.0
117.01952	0.9
117.03478	1.2
117.05408	0.6
125.02463	0.6
132.32927	0.5
132.99651	1.2
134.06125	0.7
135.02724	0.5
141.01926	0.6
144.04536	3.1
147.01486	0.5
148.02287	6.5
148.04033	0.5
149.06105	1.1
150.03862	2.7
161.02725	0.5
161.04562	3.1
162.03847	1.1
172.04050	1.8
172.42813	0.5
178.03329	100.0
179.03656	7.2
179.05615	17.1
206.01021	0.9
206.02802	10.1
207.03110	0.9
210.05919	0.7
223.02803	0.6
238.05428	37.1
239.05724	3.9
239.12978	1.1
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
58.00613	1.2
59.01379	100.0
60.01719	1.5
69.03448	1.8
71.01392	6.9
71.70858	0.9
72.00905	1.1
73.02937	2.2
74.02481	1.2
75.81990	0.8
78.95912	5.7
83.01397	1.3
85.02961	4.3
87.00887	18.6
89.02460	4.2
96.96018	5.3
96.96971	3.9
97.02985	2.0
99.00910	4.5
99.53777	0.8
101.02425	4.5
104.03565	8.8
113.02463	1.9
117.01952	4.5
119.03526	1.6
125.02450	3.2
141.01967	2.1
159.02966	0.8
161.04578	17.8
165.04019	4.5
174.95880	0.8
177.04041	1.6
178.96060	3.7
179.05624	94.4
179.93184	0.9
180.05894	4.9
221.06570	1.3
229.65642	1.0
232.11108	0.8
239.07857	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	236.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
57.97569	0.9
58.92353	0.4
59.01381	3.6
60.71060	0.4
61.98832	14.6
63.96241	100.0
64.96187	0.9
71.01385	2.3
79.95751	1.0
80.96481	0.4
82.51630	0.4
85.02962	0.6
87.04515	0.4
96.04441	0.4
98.20705	0.3
101.02467	0.5
115.23531	0.3
116.05419	41.5
117.05753	1.7
121.02959	0.5
123.08202	0.5
126.12981	0.8
129.01932	0.6
133.01440	0.4
134.03838	0.4
135.04517	1.9
142.99878	0.5
146.33672	0.4
179.03519	1.1
188.11166	25.7
189.11501	2.3
230.50191	0.6
236.01672	0.4
236.09708	1.0
237.07724	0.6
237.11421	0.8
237.15042	0.6
239.79070	0.4
246.53214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86329	1.9
57.03449	19.6
57.51044	1.7
59.01381	100.0
60.01712	2.2
64.06920	1.6
67.01884	5.2
68.99821	4.4
69.69110	1.8
70.16241	4.9
70.16648	4.0
71.01386	65.4
72.99301	2.1
73.02950	12.1
76.52847	1.8
77.58939	1.7
83.01392	19.0
85.02961	14.7
87.00876	3.2
93.03473	2.2
96.96980	3.7
99.00885	36.1
99.04521	1.6
101.02455	2.8
109.54593	1.9
111.00886	29.3
112.23682	1.7
115.00371	3.6
129.01964	40.8
173.00931	9.3
173.04591	2.3
233.15530	10.4
238.07256	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	236.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73428	0.6
71.01389	19.8
71.30138	1.2
75.40997	0.7
78.64867	0.6
79.63540	0.6
80.73722	0.6
95.23493	0.7
115.00392	31.6
116.00712	1.0
120.04570	100.0
121.02973	24.1
121.04899	4.6
122.03390	1.3
123.33773	0.6
130.06685	1.4
134.03693	0.9
134.53838	0.6
135.04573	3.1
144.01299	0.7
146.06108	1.2
148.07726	9.8
149.06108	0.9
165.07713	0.7
174.05626	16.9
175.05972	0.8
179.03458	2.0
185.88702	0.8
192.06674	37.6
193.07021	3.3
201.15533	0.8
218.04553	6.0
227.58447	0.7
236.05638	59.7
237.05928	6.1
250.65393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87184	1.3
55.01871	1.5
56.59586	1.4
57.03454	10.5
59.01380	7.2
65.58208	1.2
67.01892	2.1
68.83006	1.3
68.99825	4.5
71.01390	32.4
71.13096	4.3
72.00745	1.3
72.99303	2.2
73.02945	6.8
83.01400	11.8
85.02964	15.0
87.00893	4.7
97.46785	1.4
99.00889	48.5
100.01213	1.7
101.02441	3.0
111.00896	37.6
112.98827	100.0
113.99146	4.3
115.00368	5.0
129.01953	23.3
135.04562	1.8
142.99908	11.2
147.07063	1.5
173.00929	39.2
174.01241	1.7
183.11398	2.7
191.02026	8.0
191.03506	1.6
208.98483	1.7
226.99689	15.8
227.10359	1.7
227.20044	2.4
228.10788	1.7
228.21606	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	229.1558
Annotation	Val Ile
Peak:m/z	Relative Intensity
56.87518	0.4
59.01380	1.1
70.74021	1.2
71.01384	1.2
81.90784	0.5
84.22826	0.4
98.06152	0.5
104.57111	0.4
114.09249	1.2
115.08785	5.1
130.08762	32.4
131.09096	1.5
185.16608	26.5
186.17000	2.1
229.15585	100.0
230.15904	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	229.1809
Annotation	O-11
Peak:m/z	Relative Intensity
53.46938	0.5
56.98506	0.5
57.14089	0.5
59.01370	3.1
61.98839	2.6
63.36031	0.5
66.87263	0.5
69.03451	0.6
70.89107	1.1
70.89474	1.2
71.01388	1.0
82.79185	0.5
83.05035	0.6
99.92593	8.1
100.92641	0.8
101.92398	0.5
115.92089	1.1
116.92155	0.5
116.92863	2.7
156.89423	0.7
167.14500	0.6
183.17580	3.9
184.17833	0.5
211.13367	0.9
211.17014	2.1
227.16531	1.2
229.02586	0.6
229.04723	1.1
229.14403	4.1
229.18088	100.0
229.91948	0.7
230.04825	0.6
230.15742	1.1
230.18419	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.13305	1.3
56.08060	1.5
57.03450	18.6
59.01381	100.0
60.27797	1.4
60.92473	1.4
64.39655	1.6
65.05975	1.5
67.01876	5.8
68.99817	3.5
71.01389	57.6
71.70968	2.1
72.99303	2.0
73.02950	10.1
83.01385	16.3
85.02959	13.8
87.00902	3.0
93.03446	2.2
96.96054	1.6
96.96954	5.4
96.99304	2.7
99.00896	31.7
99.04508	2.0
101.02433	3.3
104.03547	6.8
111.00906	27.8
115.00375	1.8
121.73764	1.5
123.57698	1.5
129.01970	33.3
136.47420	1.5
173.00926	5.9
173.04507	2.7
233.15500	9.8
234.09837	7.9
234.15298	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	226.9963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87184	1.3
55.01871	1.5
56.59586	1.4
57.03454	10.5
59.01380	7.2
65.58208	1.2
67.01892	2.1
68.83006	1.3
68.99825	4.5
71.01390	32.4
71.13096	4.3
72.00745	1.3
72.99303	2.2
73.02945	6.8
83.01400	11.8
85.02964	15.0
87.00893	4.7
97.46785	1.4
99.00889	48.5
100.01213	1.7
101.02441	3.0
111.00896	37.6
112.98827	100.0
113.99146	4.3
115.00368	5.0
129.01953	23.3
135.04562	1.8
142.99908	11.2
147.07063	1.5
173.00929	39.2
174.01241	1.7
183.11398	2.7
191.02026	8.0
191.03506	1.6
208.98483	1.7
226.99689	15.8
227.10359	1.7
227.20044	2.4
228.10788	1.7
228.21606	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	225.1134
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.23791	0.3
57.03439	1.0
57.35863	0.3
59.01376	3.0
61.98836	2.2
64.54508	0.3
71.01376	0.5
71.05678	0.8
71.06022	0.5
73.02952	18.9
81.03448	0.4
81.44017	0.4
84.05299	0.5
93.03475	2.1
95.05020	1.1
107.05068	0.6
109.06637	0.4
110.07752	0.3
121.06544	0.4
123.94558	0.4
126.90504	0.8
131.46736	0.4
137.02448	1.1
153.12840	0.7
163.11293	8.4
164.11661	0.8
165.01962	0.6
165.07707	0.4
180.04387	0.6
181.12357	100.0
182.12695	9.4
195.02998	0.7
195.06659	0.5
197.11874	0.9
207.10242	3.0
210.05312	0.4
224.90501	0.5
225.00461	0.8
225.07724	0.7
225.11328	8.4
225.14958	1.0
225.92670	0.6
226.00098	0.4
226.03215	0.4
226.11772	0.6
226.14702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
59.01374	2.9
60.01712	0.3
61.01791	0.3
61.98816	0.3
68.52443	0.2
69.68705	1.5
79.01778	0.4
85.02991	0.2
93.03458	0.7
106.02866	2.4
115.74616	0.3
117.02112	0.9
119.03645	0.4
130.00414	0.2
132.03174	6.2
133.03963	100.0
134.04390	3.5
149.02478	0.3
150.02763	0.6
153.09111	0.3
153.12816	0.3
163.00461	0.2
165.01968	0.4
165.05144	0.4
181.01353	0.3
181.12413	0.3
195.03015	0.3
207.06789	0.3
207.10454	0.3
207.13826	0.3
208.07536	0.6
210.05334	0.3
222.07843	0.4
224.09419	82.8
225.00334	0.6
225.03990	0.2
225.09677	8.7
225.14995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42604	0.8
55.05328	0.8
55.36237	0.8
59.01381	7.3
61.01808	0.9
61.98832	5.8
65.00321	0.8
71.01383	1.2
71.22104	2.1
73.02953	14.3
83.05019	0.9
93.03491	4.4
93.03989	0.8
94.02997	1.0
96.95999	1.0
101.61414	0.7
105.07075	0.8
109.02963	1.0
111.85384	0.9
115.66683	0.8
119.57708	0.9
126.90523	2.8
131.81639	0.8
137.02473	2.5
138.01935	1.4
153.12892	1.6
163.11324	9.6
165.01974	1.4
165.07745	1.2
175.95558	0.8
178.83347	1.0
180.04292	1.5
181.01346	1.8
181.12355	100.0
182.12703	9.8
195.02988	2.2
195.06639	1.3
197.11800	1.7
206.99373	0.9
207.10295	1.8
210.05348	1.5
224.90474	1.2
225.00404	2.7
225.07671	2.2
225.11356	10.9
225.14926	1.2
225.18497	1.1
225.92662	2.1
226.00105	0.8
226.11626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0943
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
57.03448	0.3
59.01380	2.4
60.01715	0.3
61.98837	0.4
66.00973	0.2
70.81611	0.2
71.73260	0.4
72.35111	0.2
79.01741	0.3
83.05048	0.2
92.02529	0.3
93.03490	0.2
106.02855	2.2
117.02104	0.7
119.03627	0.3
132.03183	7.4
133.03963	100.0
134.03442	0.4
134.04396	3.1
146.04787	0.3
150.02859	0.3
151.11273	0.2
153.09198	0.5
153.12857	0.2
165.01932	0.2
174.06918	0.2
181.12411	0.4
182.07307	0.4
193.15019	0.2
195.03094	0.3
195.06772	0.2
195.14035	0.2
201.54611	0.2
208.07564	0.6
222.07899	0.4
224.09418	79.2
225.00467	0.4
225.09714	8.3
225.14806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
57.03448	1.0
59.01381	100.0
60.01715	1.7
61.98836	2.1
65.38159	0.5
66.03493	0.7
71.01398	1.8
71.04692	1.6
73.02958	1.8
75.00869	0.8
85.02976	2.3
87.00903	0.9
89.29833	0.5
95.05048	0.6
101.02486	2.9
110.97469	0.6
111.00944	0.7
113.02481	0.6
121.02975	1.3
123.08178	0.7
131.48828	0.5
131.55066	0.6
133.04010	0.8
133.10297	0.6
135.11824	10.0
136.12126	0.7
140.07072	0.6
149.02527	2.0
153.08127	0.6
161.09740	1.4
163.06134	5.6
163.07222	0.6
164.04837	1.0
164.06531	0.7
179.10794	34.8
180.11131	3.8
193.01523	2.4
199.51334	0.5
208.03845	2.5
223.02792	0.8
223.06174	2.2
223.09949	1.1
223.13390	11.8
224.13770	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.98221	0.2
57.03447	0.6
59.01381	100.0
60.01712	1.8
60.99303	0.3
61.98836	0.6
68.47287	0.2
70.48530	0.2
70.48875	1.0
71.01393	0.7
71.05031	0.8
73.02931	0.3
75.00890	0.4
83.05025	0.3
85.02985	1.1
87.00902	1.4
91.72646	0.2
93.07131	0.4
101.02438	1.0
111.00956	0.4
119.05865	0.2
121.02969	0.4
129.01932	0.3
135.11815	0.3
143.03526	0.3
149.02469	0.8
150.49481	0.2
161.13373	1.8
163.06145	2.0
163.11342	0.6
164.04832	0.4
164.07179	0.5
165.09181	0.3
179.10760	0.3
185.82477	0.2
186.99850	0.2
193.01425	0.8
195.75119	0.2
205.03477	0.4
205.12483	0.3
208.03809	1.1
223.02773	0.8
223.06172	0.7
223.13397	16.4
224.09503	0.3
224.13808	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	223.0613
Annotation	Sinapate
Peak:m/z	Relative Intensity
59.01384	2.0
64.85880	0.3
65.00325	0.9
69.19126	0.4
70.33232	1.1
74.45052	0.3
85.02968	1.4
89.03973	0.9
91.05560	0.8
93.03458	3.7
95.12763	0.3
101.02514	0.3
104.02692	0.8
109.02944	0.3
111.00922	0.7
117.03481	1.3
119.05045	0.9
121.02971	28.9
122.03336	1.6
132.02219	2.1
134.03748	0.6
135.04517	3.4
137.02522	0.5
147.04544	5.9
149.02464	100.0
150.02794	7.1
150.53778	0.3
151.03967	0.5
152.01186	4.7
163.04024	5.8
164.04811	65.2
165.01938	2.7
165.05147	4.9
167.03513	0.8
169.05057	2.4
179.07152	7.0
180.07477	0.5
193.01439	18.4
194.01761	1.0
208.03775	27.5
209.04178	2.4
223.06131	40.4
224.06433	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74328	0.7
55.01885	3.6
57.03175	1.2
57.03448	17.5
58.00596	1.0
59.01382	17.8
67.01881	1.0
68.99825	2.1
71.01389	12.6
71.37722	0.9
71.52055	1.5
72.99317	6.8
73.02950	3.5
75.00880	5.4
75.05306	0.7
78.95896	1.0
80.96523	1.8
83.01395	11.3
84.02170	3.2
85.02960	100.0
86.00117	0.7
86.03297	4.1
87.00884	4.7
91.02215	1.4
91.44884	0.8
97.85418	0.7
99.00901	1.9
101.02460	11.5
103.00391	1.8
103.04012	1.3
106.49006	0.7
111.00900	43.1
112.01222	1.9
112.98864	1.0
115.96228	0.8
119.05062	1.0
125.02458	2.5
129.01962	30.6
129.02934	1.6
130.02342	1.2
133.01410	0.7
135.01242	2.3
135.04872	6.5
135.54858	0.8
136.07686	0.9
143.03554	1.3
147.03015	6.7
159.02994	0.9
161.04588	2.4
161.05995	0.8
170.26003	0.8
178.96059	0.8
179.05685	0.9
187.02483	3.8
188.93719	0.9
205.03548	43.8
206.03902	2.2
223.04588	50.1
223.06340	1.9
224.04933	2.2
228.52533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50021	0.4
55.01876	5.8
57.03449	19.5
57.03732	1.0
58.00603	0.7
59.01086	0.9
59.01379	11.6
62.10616	0.4
66.45694	0.3
67.01884	1.5
68.99812	1.7
70.11966	1.6
71.01385	12.8
72.99313	5.6
73.02948	3.2
75.00880	6.2
78.95909	3.3
83.01393	11.4
84.02180	3.0
85.02958	100.0
86.00092	0.6
86.03283	3.0
87.00884	4.8
88.01660	0.7
96.96972	1.0
98.20639	0.5
99.00887	1.4
101.02455	11.0
102.02773	0.5
102.64023	0.4
103.00383	1.5
103.04012	2.0
105.19125	0.4
111.00896	48.2
112.01238	2.3
125.02441	2.3
129.01958	29.2
130.02290	1.1
133.05043	0.5
135.01262	0.6
143.03542	1.8
147.03014	7.2
148.03424	0.5
159.03073	0.5
161.04599	2.6
163.06039	0.4
173.00912	0.5
179.05670	0.5
187.02481	3.5
204.21036	0.3
205.03539	52.9
206.03818	2.8
209.83167	0.4
223.04594	58.6
224.04895	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.1
55.01888	4.4
57.03450	18.3
58.00592	1.0
59.01383	24.3
60.01706	0.8
68.99825	1.9
69.30034	0.7
70.80750	0.9
71.01392	16.2
71.15291	0.8
71.71340	0.9
71.71689	1.5
72.99304	5.9
73.02959	4.9
75.00896	6.3
82.96500	0.7
83.01395	11.8
84.02187	3.2
85.02964	100.0
86.03313	2.5
87.00899	5.2
89.41578	0.9
91.02277	1.3
99.00896	2.6
101.02470	11.8
103.00381	1.2
103.04031	1.7
109.61704	0.8
111.00903	46.7
112.01256	2.4
112.98830	3.5
119.05063	1.4
125.02480	1.4
129.01968	30.7
131.00681	0.8
133.05093	0.9
135.01256	1.9
135.03183	1.1
135.04852	1.3
141.36856	0.9
143.03502	0.9
147.03020	6.1
161.04590	3.0
163.06174	2.3
163.25545	1.0
172.58624	0.8
173.75081	0.8
187.02499	3.0
196.65126	0.9
205.03555	46.9
206.03943	2.3
223.04619	50.6
224.05093	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	219.0776
Annotation	N-Hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
59.01381	1.2
60.99298	0.2
66.98785	0.2
69.71719	1.4
71.01392	0.4
74.02467	0.5
82.03015	0.3
83.05045	0.2
85.21347	0.2
86.02491	1.0
88.03582	0.2
88.04037	1.3
89.04344	0.2
92.05053	1.3
98.20206	0.7
115.12478	0.2
116.05122	0.4
118.98098	0.8
119.05106	0.2
119.06149	0.3
120.04565	0.4
122.35739	0.2
128.05081	0.3
130.06638	2.0
131.03766	1.4
132.03035	0.3
132.04582	1.1
134.06117	0.6
141.04640	0.3
144.04539	1.5
146.04871	2.4
146.06026	0.3
147.08411	0.3
154.14168	0.2
157.07727	100.0
158.06036	0.4
158.08105	8.7
175.07527	0.3
175.08792	3.0
176.03493	0.4
176.09221	0.3
178.04059	0.2
191.23369	0.2
201.06691	3.9
202.07005	0.5
219.07762	16.9
219.17519	5.4
220.02702	0.4
220.08043	1.8
220.17924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.046
Annotation	5-Hydroxyindolepyruvate
Peak:m/z	Relative Intensity
52.35790	0.5
59.01379	4.0
69.03476	0.5
69.82569	1.6
69.82997	2.1
70.01590	0.4
71.01413	1.0
75.00859	0.5
75.45181	0.5
86.86681	0.5
88.04041	0.6
94.07079	0.4
98.19900	1.0
99.00919	0.7
116.05061	4.6
118.06648	5.1
120.04556	1.3
121.02994	0.7
126.07404	0.5
128.05080	25.0
129.05475	1.1
131.03787	10.9
132.04581	14.3
144.04568	91.2
145.04903	6.8
146.06134	100.0
147.04633	1.2
147.06487	8.7
160.04059	1.0
172.04056	14.2
173.04390	1.4
174.05612	46.6
175.04034	0.7
175.05959	3.4
175.07553	1.1
190.05098	0.9
200.85129	0.5
204.04288	0.9
218.04578	22.3
218.07875	0.9
219.03020	1.1
219.04883	2.0
219.06714	0.9
219.10338	1.5
219.17543	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	218.1034
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
51.01587	0.4
53.53492	0.4
59.01383	4.7
60.39715	0.4
65.01499	0.4
69.71730	3.6
71.01389	11.3
71.05026	17.4
72.00929	0.8
72.99275	0.4
75.99484	0.4
81.30419	0.4
85.02956	0.5
88.04051	100.0
89.04385	2.6
99.04538	5.4
107.05061	0.5
116.03550	0.8
116.07214	2.5
118.03045	0.6
124.23484	0.4
129.05597	1.3
134.03737	0.5
146.02490	0.9
146.08253	46.8
147.04552	3.4
147.08600	2.2
174.01971	1.3
174.05643	1.3
175.02704	0.5
175.04024	0.5
188.73776	0.4
218.04663	1.0
218.10345	31.0
219.02998	1.2
219.06676	0.6
219.10629	3.2
219.17564	9.3
233.87482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97564	28.6
59.01355	2.3
63.96241	83.3
64.97025	74.3
66.03488	3.0
68.95598	1.9
71.05009	1.5
71.05386	3.1
71.05721	2.1
74.02457	2.4
79.95749	8.3
80.94737	1.7
86.02488	44.8
96.94250	27.9
99.85199	1.6
116.05052	12.3
128.03563	43.0
136.66608	1.8
144.00923	10.8
145.07758	1.9
150.03842	4.2
153.06697	2.1
166.03355	18.1
213.99979	5.3
214.01820	3.1
215.01013	100.0
215.12923	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	217.1194
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
53.31054	0.6
58.02968	3.3
58.86616	0.6
59.01377	6.7
60.99314	1.4
63.92062	0.7
66.03481	0.7
69.59444	5.5
71.01400	1.3
71.05028	1.5
72.00907	1.8
72.99314	1.4
73.04078	0.9
74.02477	25.5
82.06643	2.5
84.53030	0.7
85.02936	0.7
85.04080	1.6
87.00877	1.6
87.04556	1.3
88.04044	7.2
98.19867	0.9
99.04525	0.6
100.07695	0.8
101.07234	1.5
104.03548	2.3
111.49167	0.7
112.04028	0.8
112.07670	0.9
113.07229	1.1
116.07198	1.8
126.09258	6.5
128.07249	0.8
128.10838	1.1
129.10352	1.8
129.75935	0.7
130.05061	0.7
130.08752	6.3
134.04744	1.1
138.05678	1.1
138.09242	0.6
139.08795	4.6
141.06738	0.8
141.10390	4.5
142.99963	0.7
143.11922	31.5
144.12311	1.9
146.08278	3.2
153.10342	1.7
155.11922	29.1
156.12299	1.0
156.99940	1.0
169.09840	11.4
170.10095	0.8
171.11517	0.6
173.09343	3.4
174.99254	2.2
187.10895	100.0
188.11290	7.5
199.10919	0.9
200.09319	0.9
217.00224	1.8
217.11935	57.2
218.06766	1.3
218.10324	2.4
218.12296	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	214.0004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	13.7
59.01381	2.5
61.98835	7.0
63.95900	1.5
63.96240	27.9
64.95259	3.5
64.97026	27.3
66.03485	1.0
69.54710	9.1
71.01392	1.2
73.02953	0.9
79.95735	5.1
80.96532	1.3
89.02451	1.0
93.03407	0.9
96.94250	11.9
98.19922	1.9
99.00832	1.6
115.92115	1.3
116.05095	4.0
122.89433	19.6
141.70699	1.0
144.00923	12.6
150.03786	1.8
153.12889	1.7
162.02264	1.0
166.03313	5.4
171.02023	1.8
186.89769	14.0
213.18420	1.3
213.99876	2.0
214.14705	1.1
215.00993	100.0
215.09213	1.8
215.12878	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	214.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97561	28.5
59.01382	2.5
63.48518	1.3
63.96241	100.0
64.97023	89.7
71.01376	4.8
79.95750	12.6
86.02467	1.6
96.94245	42.4
98.19746	3.8
116.05061	13.4
128.03549	2.0
138.30270	1.7
144.00871	8.4
150.03831	4.6
155.73985	1.4
166.03314	22.0
171.04539	3.1
191.33095	1.9
205.36555	1.6
214.00003	6.3
214.15205	1.7
215.00986	77.7
215.12914	3.4
230.58846	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	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
59.01373	4.9
61.98835	14.0
64.95229	1.9
66.03487	2.0
67.09820	1.2
69.03458	7.3
70.71385	2.3
70.71763	2.5
70.93878	1.5
71.05028	92.6
72.05360	3.5
73.02946	1.1
74.54021	1.0
78.95940	2.1
83.05026	1.5
85.02981	3.1
87.00895	4.2
90.13632	1.2
95.66719	1.1
97.02966	11.3
97.06619	8.8
99.08200	1.6
99.92614	2.0
101.56297	1.2
113.09764	1.9
115.04031	20.5
115.07664	19.0
120.89896	3.3
123.08231	1.6
125.09736	6.1
126.06880	2.2
126.89133	1.1
127.11307	51.5
128.11632	2.8
141.09248	4.2
141.12871	2.5
143.10832	2.0
147.50400	1.2
151.11282	7.8
152.11603	1.5
167.63440	1.2
168.98943	1.6
169.06601	1.3
169.12357	100.0
170.12730	8.3
173.93820	1.4
184.90187	2.9
192.76332	1.3
194.99371	2.8
195.13803	1.5
213.00272	1.8
213.05522	2.1
213.07730	1.9
213.09419	2.4
213.11348	31.4
213.14925	17.6
213.18515	7.1
214.01457	1.6
214.11658	3.7
214.14929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.061
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
59.01372	0.6
69.03452	0.5
69.99080	1.3
69.99490	0.9
71.01411	0.6
81.03481	0.5
95.01410	1.8
109.02966	1.0
111.00885	0.4
121.02963	0.5
123.00904	9.0
123.03368	0.5
123.04528	0.6
125.02469	2.6
134.03743	1.2
135.00882	1.2
137.02478	2.1
139.00389	0.9
151.00388	4.0
151.04083	0.9
151.06131	0.6
152.01158	1.9
152.04832	2.4
153.01949	7.5
163.00381	1.2
178.02731	0.9
181.01439	75.2
182.01784	5.0
184.03738	0.5
193.05096	0.5
195.03044	1.7
196.03777	100.0
197.04117	7.2
211.06120	45.0
211.13312	0.6
212.06490	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	211.0613
Annotation	3,4,5-TRIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
59.01379	5.7
67.01897	0.6
69.45304	3.9
72.99293	1.0
80.05054	1.1
81.03460	2.0
91.88239	0.4
93.03464	1.5
95.01394	1.6
97.02984	0.7
98.19911	0.9
101.02514	0.4
105.03410	0.5
108.02165	0.6
109.02941	2.1
111.00838	0.6
121.02950	1.6
123.00908	8.6
123.04556	2.5
124.01742	0.6
124.04093	2.0
125.02471	2.7
132.54414	0.4
134.03766	3.6
135.00894	1.1
136.01677	10.9
137.02477	4.9
138.03304	0.4
139.00368	0.8
139.04018	1.6
149.02481	1.7
149.06078	1.0
150.03247	1.0
151.00417	4.7
151.04028	17.5
151.06078	1.3
152.01143	2.1
152.04776	2.6
153.01947	7.0
153.05472	0.6
163.00406	1.2
165.05602	0.5
167.03470	1.7
167.07043	0.4
168.02977	0.7
175.27901	0.4
178.02739	1.2
181.01440	76.3
182.01778	4.6
184.03784	1.1
193.05089	1.0
195.02904	1.9
196.03778	100.0
197.04097	6.9
211.06129	45.6
211.13295	0.7
212.06424	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	211.0613
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
59.01371	1.6
70.14741	3.6
72.99312	17.6
80.05061	1.6
89.03997	1.0
93.03477	0.9
95.01395	1.3
96.96033	2.5
96.96885	0.6
104.50417	0.7
109.02957	1.0
117.03479	3.8
121.02965	2.2
121.15714	0.8
122.03765	1.8
123.00900	8.6
123.04462	0.8
124.04034	2.2
125.02442	3.4
134.03760	39.3
135.00897	1.2
135.04105	2.3
136.01672	0.8
137.02460	4.3
139.00389	0.8
139.04053	0.9
142.96861	0.8
149.02473	2.2
149.06107	3.8
149.78670	0.8
150.03252	33.0
151.00385	5.1
151.03775	2.2
151.06113	1.4
152.01108	4.2
152.04776	2.6
153.01985	6.4
163.00398	1.5
165.05586	19.7
166.05919	1.4
167.01750	1.2
167.03456	1.2
178.02731	5.2
181.01443	76.0
182.01775	4.4
184.03810	0.9
188.79767	0.7
193.05080	36.4
194.05406	3.3
195.02985	2.0
196.03783	94.0
197.04123	6.3
211.06134	100.0
211.13356	1.7
212.06444	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	211.0612
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
55.75152	0.4
59.01383	0.5
59.55829	0.5
67.01885	0.5
70.49766	2.4
72.99335	0.6
75.29338	0.5
81.03471	0.9
95.01414	1.8
109.02975	1.5
114.07814	0.5
115.53345	0.6
121.02986	1.5
123.00898	9.1
123.04541	8.6
125.02468	3.3
125.04373	0.7
134.03726	0.7
135.00929	1.0
137.02444	4.7
139.00410	0.8
139.04031	0.8
151.00383	5.1
151.06114	0.7
152.01173	1.2
152.04822	3.0
153.01962	6.3
153.05487	0.6
163.00415	1.1
167.03481	0.8
168.06793	0.5
178.02663	1.1
179.49565	0.6
181.01442	76.8
182.01785	4.5
184.03903	1.1
193.05098	0.6
195.03017	1.4
196.03783	100.0
197.04135	7.4
210.73560	0.5
211.06133	47.8
211.13402	0.7
212.06479	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	209.095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
57.67019	0.2
59.01366	1.0
61.98817	0.5
62.96427	0.3
65.00320	0.2
66.03481	0.3
71.01386	0.6
71.73941	0.3
73.02976	0.2
78.95910	100.0
80.12989	0.2
82.72874	0.2
83.84405	0.1
85.02959	1.5
89.02439	0.3
91.01904	0.2
91.87189	0.2
93.03492	0.4
94.02998	0.9
95.01340	0.2
96.96062	0.2
96.96951	0.9
97.23292	0.2
111.00870	0.2
113.20047	0.2
117.51876	0.2
117.56013	0.2
120.02193	0.2
121.02971	15.7
122.03296	0.9
123.00847	0.2
124.04064	2.8
135.04466	0.2
136.01672	0.3
137.02490	0.3
137.06053	0.2
142.99843	0.2
148.04120	0.2
150.03154	0.2
151.04030	0.2
153.03244	30.0
154.03595	0.9
165.05563	0.3
165.09209	0.3
166.05124	0.2
166.08682	0.2
178.99896	0.5
179.03503	0.3
191.01894	0.2
194.02216	1.0
194.05869	0.5
199.91531	0.2
209.04684	3.1
209.09494	36.6
210.05113	0.2
210.07735	0.5
210.09851	2.7
210.11618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
52.39114	0.2
57.03446	3.2
59.01379	100.0
60.01715	1.5
61.98839	0.4
67.85567	0.3
70.87703	1.0
71.01379	0.3
78.39333	0.2
80.02680	0.5
81.03462	1.4
85.02937	0.5
94.02994	0.8
97.06612	3.5
109.06606	4.5
121.02972	10.4
121.03854	0.5
122.03301	0.7
123.08116	0.2
124.04069	2.5
126.12057	0.2
126.59100	0.3
149.09741	0.4
165.12880	4.7
166.13150	0.5
174.42221	0.2
192.73599	0.3
194.02223	0.5
209.04591	2.0
209.11842	17.5
210.12175	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	209.0667
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
55.01883	2.9
57.03448	22.0
58.00589	2.3
59.01382	25.5
66.99969	0.5
67.01897	0.5
68.99824	2.1
70.00117	0.6
70.34229	0.8
70.34574	2.4
71.01388	20.8
72.99305	2.5
73.02956	4.1
75.00860	1.9
78.95911	13.8
83.01405	6.1
84.02179	6.5
85.02960	71.8
86.00114	0.8
86.03294	2.0
87.00887	22.9
87.04536	0.8
89.02460	7.9
96.96038	7.3
96.96979	4.7
97.02959	2.4
98.19982	0.8
99.00902	6.8
100.63509	0.7
101.02451	7.4
102.20081	0.6
110.89950	0.6
110.98553	9.4
111.00885	8.6
112.98828	8.7
113.02438	0.8
113.03584	0.9
115.00396	4.5
115.04059	1.3
119.03518	1.7
124.04059	0.5
124.98843	0.9
129.01962	43.7
130.02299	1.6
130.05089	1.5
131.03586	1.1
131.04640	1.8
131.08324	0.6
133.01453	8.5
134.01756	0.6
134.66006	0.5
135.03035	5.1
141.01970	4.3
142.99886	35.0
144.00220	1.6
145.01550	0.7
159.03008	10.7
173.00940	10.1
191.01994	2.0
191.05663	1.3
208.98686	1.2
209.03203	3.1
209.06679	100.0
210.00739	2.0
210.02071	0.5
210.07014	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	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.1
59.01377	2.0
61.98832	100.0
62.98552	0.3
63.94530	0.1
63.99264	0.1
69.41194	1.0
71.01422	0.2
98.19959	0.3
98.20644	0.2
123.04478	0.1
124.46230	0.1
129.01967	0.5
147.03003	0.4
152.20688	0.1
159.37567	0.1
162.98459	1.1
163.07654	0.2
163.98483	0.1
164.96391	0.4
177.01974	0.6
178.02432	0.1
192.00664	0.1
192.04318	0.7
206.97470	9.4
207.06648	0.4
207.97566	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	207.015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.2
57.03447	0.2
59.01379	6.6
60.99292	0.4
61.29493	0.2
61.98821	0.3
66.39069	0.2
69.44801	0.6
69.45225	1.5
71.01387	2.5
72.99316	5.4
73.02950	0.6
74.00691	0.5
75.00879	44.0
76.01226	0.6
78.95889	0.2
80.96538	0.3
85.02957	0.6
87.00886	1.0
88.98817	2.3
89.02454	6.4
95.01411	0.2
99.00894	0.8
101.02448	0.4
113.02481	0.5
117.01971	2.1
129.01958	0.7
135.03017	100.0
136.03354	4.0
136.94034	0.4
147.03014	0.6
149.82257	0.2
152.32866	0.2
177.01961	0.4
192.04253	0.4
207.01485	0.2
213.06456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01875	6.6
57.03447	5.5
58.00595	3.8
58.02969	14.3
59.01379	73.9
60.75188	1.8
67.01891	3.1
68.99821	8.7
69.88837	9.6
69.89250	3.3
69.99366	1.8
71.00984	4.2
71.01387	87.2
71.05004	2.1
72.01733	2.8
72.99310	55.4
73.02948	15.0
74.02469	2.3
75.00874	35.9
83.01397	13.6
85.02969	15.4
87.00882	47.2
89.02449	7.6
96.99329	8.9
99.00892	43.7
100.98796	2.0
101.02458	13.7
103.00397	7.6
109.32186	2.2
111.00896	54.1
112.98816	22.8
115.00384	100.0
116.00735	2.7
117.01981	12.9
118.03351	17.4
124.98798	12.7
125.02465	5.0
125.06081	2.1
127.00416	10.0
129.01973	18.3
131.04608	2.5
131.90767	2.2
142.99878	26.3
143.03546	2.6
145.01425	20.3
154.99890	16.2
157.01440	3.0
160.03854	3.4
161.04420	13.9
169.01416	2.7
173.00891	10.2
175.02495	12.0
187.02443	1.9
205.03464	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78146	1.9
55.01883	10.2
55.09701	2.0
57.03440	3.8
58.00598	4.1
59.01379	81.4
60.01719	2.0
60.99309	2.6
61.98830	4.2
62.14505	1.7
67.01903	2.4
67.80949	1.8
68.99821	12.0
69.35440	2.0
71.01389	86.5
71.28854	4.2
72.01706	2.5
72.45058	1.7
72.99319	47.8
73.02946	11.2
75.00880	37.8
83.01397	13.6
85.02959	4.0
87.00883	48.8
89.02446	10.5
96.99338	9.0
99.00895	44.7
101.02463	7.6
103.00395	7.3
111.00916	18.7
112.98827	45.6
115.00394	100.0
116.00764	4.0
117.01964	12.9
118.03386	3.0
124.98830	11.9
127.00423	7.5
129.01970	14.0
133.34636	1.7
137.32890	2.0
142.99901	23.7
145.01451	22.1
154.99910	16.8
159.02957	2.3
160.67209	1.9
173.00925	7.5
175.02512	11.2
205.03537	5.3
205.06509	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23987	0.1
59.01379	4.8
60.01715	1.7
61.01811	0.6
61.98831	100.0
62.98540	0.3
64.35766	0.1
69.73315	0.5
71.01395	0.4
72.99317	0.2
75.00906	0.1
87.00888	0.1
99.00914	0.2
115.00421	0.4
129.60175	0.1
142.99910	0.1
147.29079	0.1
147.96669	0.1
160.03714	0.2
161.06088	0.1
162.01755	0.1
181.82399	0.1
204.00029	1.0
204.02713	0.9
204.06689	0.1
205.00130	0.1
205.05156	0.1
205.15973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0303
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
55.12415	0.2
59.01406	0.5
63.79472	0.2
65.26173	0.2
70.86945	0.3
70.87304	0.6
71.01396	0.7
73.78346	0.2
74.02525	0.2
82.98311	0.2
85.02973	0.3
87.00901	0.3
94.20255	0.2
99.00916	0.3
111.00887	0.3
111.55354	0.2
115.00359	0.6
118.03008	2.5
131.03792	1.2
132.04578	6.7
133.04947	0.3
133.48286	0.2
146.63652	0.2
159.03278	25.9
160.04060	100.0
161.04399	7.4
175.02721	0.4
181.49429	0.2
204.03024	8.0
205.03299	0.8
214.38681	0.2
224.47491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
51.40476	0.5
55.37817	0.6
55.54612	0.5
59.01378	4.5
70.79279	1.2
71.89024	0.6
72.00605	0.4
72.00912	22.7
74.02479	33.9
76.26832	0.6
96.79309	0.6
103.92058	0.6
110.88413	0.6
116.05078	100.0
117.05410	7.6
128.05060	0.8
128.62218	0.6
129.05862	1.2
130.06668	2.8
132.08182	0.8
142.06639	27.1
143.07048	1.4
157.07722	1.4
159.09297	18.8
160.04053	1.9
160.09662	1.4
161.04874	1.0
179.91411	0.7
186.05617	4.4
203.08275	74.8
204.08600	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	204.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73068	0.1
59.01381	5.0
60.01711	1.4
61.01801	0.5
61.98833	100.0
62.98532	0.3
68.99844	0.1
71.01402	0.7
71.64780	0.1
71.70922	0.2
72.48447	0.1
72.99329	0.4
73.02952	0.2
75.00870	0.2
78.91943	0.1
85.02976	0.1
87.00905	0.3
99.00919	0.5
111.00915	0.1
115.00391	0.8
117.02012	0.1
122.57606	0.1
122.89504	0.2
124.98741	0.1
141.86823	0.1
142.99883	0.2
145.01517	0.1
160.03683	0.2
161.89459	0.2
162.89398	0.3
202.06357	0.1
203.99980	1.1
204.02708	0.6
204.06779	0.2
205.00107	0.1
205.05115	0.3
205.12399	0.2
205.16017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1246
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
55.36339	0.6
59.01378	100.0
60.01709	1.4
61.98824	0.8
69.03413	0.5
70.17455	2.4
71.01379	1.4
72.04557	1.7
74.02496	1.3
80.57782	0.5
82.06628	3.1
86.06124	3.8
87.04525	2.5
87.05667	0.5
87.55168	0.5
88.04049	76.6
89.04401	1.8
96.04585	0.6
97.06587	0.5
98.02515	0.7
98.20018	0.8
99.05673	1.3
102.92367	2.5
111.99932	0.5
112.04054	1.9
112.07684	1.6
113.06141	0.7
114.02037	0.7
114.05569	0.6
115.00379	1.2
115.08787	3.7
118.91836	1.1
129.10338	3.4
130.08763	4.3
139.04037	0.9
140.10818	4.6
147.72047	0.6
155.11856	0.5
156.03038	1.6
157.03577	3.1
157.13474	17.9
158.03719	0.6
158.08247	1.8
158.11847	0.8
158.13901	1.0
159.01485	4.1
159.07753	0.6
160.01640	0.7
175.02817	1.4
176.00542	1.5
179.72887	0.4
199.36380	0.5
201.02574	14.7
201.04276	1.0
201.08786	2.8
201.12468	67.6
201.98534	0.8
202.02753	2.6
202.07239	1.8
202.10878	1.3
202.12807	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	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.24037	0.3
57.03425	0.3
59.01382	6.8
69.03435	0.4
71.01392	0.3
73.02986	0.3
83.01370	0.3
87.04490	0.3
99.92599	2.8
100.27372	0.2
116.92844	0.5
117.01926	0.3
125.09750	0.6
127.11315	0.5
139.11298	0.8
141.93642	2.5
145.32875	0.3
155.14439	5.4
156.14754	0.6
157.08722	0.3
158.89308	0.8
159.89395	1.1
183.10220	0.3
183.13943	1.6
199.13399	0.8
201.02472	0.5
201.14973	100.0
202.05185	0.3
202.11592	0.4
202.15306	9.6
218.20096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.95029	0.2
57.03450	0.8
57.77443	0.2
59.01378	0.6
61.98839	0.3
66.62727	0.2
67.01895	0.4
69.03456	0.6
69.58356	1.5
71.01402	0.2
71.05039	0.3
73.02946	2.7
81.03506	0.2
83.01403	0.3
83.05043	0.5
85.02937	0.5
98.20570	0.5
99.00899	0.9
99.08128	0.3
109.06583	0.2
111.00892	0.4
111.04560	0.2
111.08166	0.3
113.02480	0.3
125.09756	0.3
126.86551	0.2
127.00377	0.2
127.04041	0.3
135.08176	1.0
136.98842	0.3
137.09738	8.4
138.10092	0.6
139.03957	0.2
155.10800	100.0
156.11157	7.7
156.89513	0.6
180.97838	0.2
181.08763	0.3
199.04230	0.2
199.06078	0.5
199.09775	9.4
199.13364	2.3
199.17026	2.0
200.03519	0.2
200.09976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08509	0.2
59.01381	100.0
60.01716	1.6
69.36445	1.1
69.36881	1.2
98.20245	1.2
115.02510	0.4
157.03587	4.6
158.03693	0.8
159.01505	3.1
160.01656	0.6
201.02567	17.8
202.02740	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02998	0.3
59.01380	100.0
60.01724	1.6
70.18021	1.3
78.10720	0.3
82.02991	0.3
85.02947	0.3
86.06127	0.6
87.05618	0.3
88.04053	5.0
96.04593	0.4
98.02525	0.4
100.04055	0.6
112.04121	0.3
115.02570	0.3
116.07177	0.6
130.08765	0.8
156.03043	0.5
157.03575	4.0
157.13477	1.5
158.03752	0.6
158.08273	0.8
159.01505	3.7
160.01639	0.3
168.96295	1.0
171.66634	0.3
182.97911	0.5
201.02573	14.7
201.12468	5.1
202.02737	2.8
202.07239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0409
Annotation	Isoclavulanic acid
Peak:m/z	Relative Intensity
58.81999	0.3
65.00323	7.3
69.03477	0.8
71.47811	0.9
80.05062	0.8
82.03023	0.4
84.00951	0.5
94.02994	4.3
96.04585	2.0
97.02937	0.4
106.02995	0.6
106.54639	0.3
107.03783	0.9
108.04560	3.6
111.93750	0.4
118.02972	0.6
122.02481	1.3
122.70121	0.3
124.04057	29.6
124.37132	0.4
125.04439	1.9
134.02522	0.5
136.04044	3.9
141.03094	0.4
152.03549	35.1
153.03947	1.9
154.05116	100.0
155.05499	6.2
155.08290	0.5
155.10815	0.4
155.90224	0.4
198.04079	41.1
199.04509	2.8
199.07393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97549	10.5
63.96242	100.0
71.27471	10.7
74.33631	3.7
100.01386	3.9
148.02284	73.3
149.02582	5.2
162.83850	5.1
175.09064	3.9
198.00560	14.8
212.36147	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	198.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42096	0.3
57.91587	0.4
59.01392	0.6
61.98824	0.6
65.00326	9.5
66.00660	0.4
67.01893	0.5
69.03467	0.6
71.01404	0.7
71.70129	0.4
71.70526	0.7
72.99318	1.3
75.97535	0.4
78.95924	1.0
80.05059	0.6
83.01402	0.5
85.02924	0.4
90.03496	0.4
94.02989	4.9
96.04561	2.9
96.96995	1.1
97.02987	0.8
97.04877	0.4
99.79538	0.3
102.60943	0.4
106.03004	0.7
107.03786	0.5
108.04569	4.9
118.03042	0.5
122.02498	1.2
124.04058	34.2
124.07822	0.4
125.04429	2.0
135.04538	0.7
136.03993	4.3
136.05000	2.2
136.07722	0.7
152.03555	37.5
153.03906	2.3
154.05118	100.0
155.05470	6.8
155.10799	0.4
173.03090	2.9
198.04082	41.0
198.11357	0.6
199.00958	1.6
199.04459	2.7
199.13303	0.5
208.48538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01891	0.3
59.01402	0.3
61.98845	0.6
69.03492	0.3
70.95114	0.6
70.95459	0.4
71.05051	1.0
74.30396	0.2
82.02981	0.3
83.05030	0.3
86.11702	0.3
96.96028	0.2
97.06602	12.2
98.06943	0.5
99.08166	3.7
100.08550	0.3
109.06606	0.5
111.08213	0.3
111.56425	0.3
116.92899	0.8
117.78998	0.3
122.03761	2.2
123.00906	0.5
125.02506	0.6
125.09779	0.7
126.03241	0.6
126.90565	0.7
135.11769	0.5
136.05334	0.2
137.02504	0.3
137.09737	1.5
145.00478	0.3
151.11301	0.8
153.12872	100.0
154.01639	0.2
154.13210	8.7
160.84225	0.8
162.83963	2.4
166.99899	0.5
179.10794	21.3
180.11169	2.5
182.02258	1.0
193.60553	0.3
196.89494	0.4
197.01976	0.3
197.04631	0.6
197.11836	8.9
197.80804	1.5
198.12169	1.0
204.99715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24898	0.2
66.80161	0.2
68.49493	0.2
69.68182	1.2
69.68590	0.5
71.53996	0.2
76.31888	0.2
89.03981	3.1
93.03477	0.2
98.20639	0.2
106.04266	1.2
106.04858	0.2
117.03487	6.4
118.03835	0.4
121.02990	0.7
133.02965	1.9
134.03760	100.0
135.04092	7.2
137.02457	5.0
138.02794	0.2
139.04039	2.2
141.32106	0.2
149.02563	0.3
149.06105	9.9
149.35605	0.2
150.03236	0.8
150.06454	0.7
177.30623	0.2
178.02733	20.1
179.03069	1.8
193.05075	18.5
194.05405	1.8
198.02034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34078	0.1
61.47209	0.2
69.62418	0.9
69.62828	0.4
89.03977	2.7
100.26611	0.1
106.04262	0.6
116.49781	0.2
117.03481	4.5
118.03824	0.4
121.02944	0.2
124.90631	0.1
133.02972	0.2
134.03757	100.0
135.04095	7.0
137.02481	0.8
139.04016	0.3
140.80090	0.2
149.06105	2.5
150.06396	0.2
178.02733	2.7
179.03053	0.2
181.31085	0.1
186.41673	0.1
193.05066	8.3
194.05440	0.8
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	Scytalone
Peak:m/z	Relative Intensity
61.56507	0.2
71.66216	0.2
89.03989	4.1
93.03468	0.4
98.19904	1.0
98.20618	0.9
103.83313	0.2
106.04239	0.8
117.03481	7.2
118.03849	0.6
120.35599	0.2
120.39760	0.2
121.02994	0.6
133.02986	2.0
134.03760	100.0
135.04094	6.9
137.02475	5.1
139.04057	1.4
149.06104	14.8
150.03218	0.8
150.06410	1.3
174.13414	0.2
178.02737	23.3
179.03096	2.0
193.05077	30.8
194.05420	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33344	0.2
50.50314	0.2
65.36419	0.2
65.45044	0.2
71.19656	0.5
77.39139	0.2
85.02988	0.2
89.03973	3.1
90.04292	0.2
93.03452	0.4
93.90831	0.2
106.04254	1.0
109.02946	0.3
111.00911	0.2
117.03478	6.3
118.03802	0.5
121.02952	0.7
131.53975	0.2
133.02977	1.8
134.03754	100.0
135.04083	7.7
137.02461	4.6
138.02814	0.2
139.04060	1.3
149.06094	8.5
150.03262	0.5
150.06418	0.5
161.04640	0.4
165.02045	0.2
178.02730	16.9
179.03032	1.2
186.71902	0.2
193.05074	16.1
194.05392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04527	0.2
69.41376	1.8
69.41796	0.5
74.46045	0.2
75.48219	0.2
81.21524	0.2
81.77990	0.2
89.03982	3.1
98.19833	0.4
101.02473	0.3
106.04250	1.1
117.03481	6.2
117.66978	0.2
118.03837	0.4
121.02960	0.6
133.02991	1.2
134.03758	100.0
135.04094	7.5
137.02475	3.5
138.02762	0.4
139.04028	1.1
149.02390	0.2
149.06113	7.6
150.03235	0.5
150.06432	0.7
178.02739	14.6
179.03049	1.1
193.05070	15.1
194.05441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72068	0.2
71.01399	0.3
71.39385	0.5
72.90240	0.2
81.54015	0.2
89.03976	2.7
93.03463	0.7
101.02435	0.2
106.04257	0.9
107.05112	0.2
108.04556	0.3
111.00916	0.2
111.25524	0.2
113.36024	0.2
117.03478	6.6
118.03825	0.6
121.02958	1.2
133.02995	1.8
134.03755	100.0
135.04089	7.4
137.02467	5.5
138.02809	0.5
139.04015	1.8
149.02509	0.2
149.06097	10.8
150.03239	0.8
150.06448	0.9
158.54202	0.2
178.02727	22.2
179.03040	1.8
193.05075	19.2
193.06564	0.5
194.05429	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	193.0508
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.23732	0.2
56.97611	0.2
70.48886	0.4
70.49301	0.6
89.03972	3.5
106.04283	1.0
111.00907	0.2
117.03484	6.7
118.03867	0.5
121.02987	0.9
133.02977	1.8
134.03758	100.0
135.04086	7.0
137.02475	5.6
138.02817	0.3
139.04048	1.9
149.06094	11.0
150.03255	0.6
150.06429	0.9
177.33577	0.2
178.02733	20.9
179.03008	1.7
193.05075	19.7
193.06462	0.4
194.05382	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.93143	0.3
57.03448	5.3
59.01376	0.9
59.68718	0.3
61.24490	0.3
63.25458	0.4
67.01897	1.4
69.84993	1.9
69.85400	0.7
72.36913	0.4
72.99295	0.5
73.02966	0.4
85.02956	26.5
86.03310	0.4
87.00883	44.3
88.01239	0.9
101.02472	0.5
104.51081	0.4
111.00893	100.0
112.01237	4.0
117.01955	0.4
120.69761	0.3
125.44012	0.3
127.14563	0.4
129.01962	5.7
130.99847	1.1
147.03015	0.6
154.99892	1.2
162.87343	0.5
173.00896	1.8
185.19212	0.4
191.01994	13.6
192.02312	0.7
199.18324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Citric acid
Peak:m/z	Relative Intensity
51.26603	0.4
57.03449	3.6
67.01898	1.0
71.06438	0.8
72.99333	0.4
73.02953	0.4
85.02962	24.2
86.03313	0.7
87.00887	38.0
88.01244	1.0
101.02467	0.4
103.04017	0.4
111.00898	100.0
112.01244	5.0
129.01955	7.0
130.99876	0.6
147.03004	0.5
154.99887	1.7
173.00908	3.5
174.29167	0.4
191.01993	16.8
191.05624	0.5
192.02321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	70.1
60.01723	0.8
60.76742	0.6
61.98830	4.2
69.78936	1.6
69.79353	2.0
71.01374	0.6
72.79911	0.5
73.02950	0.6
85.02970	0.7
87.13465	0.5
97.06609	1.2
102.98946	0.6
114.98895	1.6
115.02547	2.9
117.00455	9.7
118.00538	1.5
125.06129	1.0
125.09743	11.7
126.10183	0.5
141.86841	5.1
142.89412	1.1
143.02034	0.9
144.99911	2.0
159.01512	100.0
159.87881	4.0
160.01625	11.8
160.03967	0.9
187.00999	14.3
187.03915	1.1
187.06223	0.7
187.07932	0.9
187.09792	8.2
187.13412	1.9
188.00662	2.3
188.03583	1.5
192.09766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22045	0.6
56.96957	0.7
57.03445	1.0
58.02977	8.9
59.01382	3.3
69.57155	1.5
69.57575	4.6
71.01378	2.2
72.04523	1.4
73.04063	0.8
74.02480	63.6
75.02813	1.1
82.06639	5.2
83.05042	0.7
85.04086	4.8
87.92538	1.3
88.04075	1.7
97.06622	1.9
99.00890	0.9
99.04559	0.8
102.05647	1.7
103.31569	0.7
111.00937	1.5
112.07690	2.1
114.09264	1.9
117.33532	0.7
125.06113	2.3
125.09747	6.6
126.09275	20.2
127.00481	0.9
128.03564	1.3
129.10406	0.8
130.08794	1.1
139.08827	0.8
141.86804	1.4
142.08771	1.7
143.07178	2.4
143.11922	70.8
144.04562	1.4
144.06664	1.0
144.12325	4.5
155.08304	1.6
169.09897	0.8
187.06187	2.2
187.10919	100.0
188.09331	2.8
188.11229	7.7
206.57472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40559	2.6
69.40977	1.4
92.05078	3.0
94.03002	1.6
108.04569	42.8
109.04886	1.9
116.32439	0.3
120.04578	3.6
122.02500	0.8
123.03311	1.1
136.04065	1.0
138.05629	100.0
139.05997	5.5
152.03473	0.5
174.13998	0.3
182.04599	35.8
183.04944	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	184.986
Annotation	3-Phospho-D-glycerate
Peak:m/z	Relative Intensity
50.27267	0.3
59.01380	0.6
68.57191	0.3
69.00526	0.3
69.03458	11.2
69.95512	1.8
70.02985	1.8
71.01390	1.7
71.04993	0.4
72.00917	2.7
74.02482	8.4
78.95911	93.8
82.02980	1.1
85.02962	0.9
86.06136	3.0
87.00901	0.7
87.40271	0.3
96.04554	2.0
96.96976	100.0
97.02953	0.4
98.06133	2.0
98.19977	0.4
98.20506	0.5
99.04549	0.9
100.04080	0.5
107.48905	0.3
111.00892	0.7
112.04053	4.0
113.02462	4.9
113.03629	0.3
114.05627	2.9
124.04041	1.0
141.06706	0.9
141.09177	0.4
142.05124	2.5
158.04591	3.9
166.97478	1.7
184.98567	10.2
185.01001	0.4
185.05733	0.5
185.98950	0.6
186.04091	10.5
186.05745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
51.98884	1.1
57.03438	1.7
58.00578	5.4
59.01380	99.3
60.01704	2.4
68.20994	1.0
68.99796	1.3
69.03459	2.3
71.01387	75.2
71.05022	2.9
72.99311	13.5
73.02950	11.5
75.00879	87.5
76.01215	2.1
78.95899	3.5
81.03463	5.4
83.01392	3.7
85.02961	17.4
87.00884	53.0
89.02456	36.9
90.08996	1.3
95.01402	2.6
96.96967	3.1
97.02930	3.7
99.00893	16.5
99.04539	1.4
101.02441	13.0
104.03554	3.3
105.01926	1.4
113.02471	10.0
117.01973	10.5
119.03508	3.2
125.02460	8.6
129.01956	2.1
141.01949	5.0
143.03523	9.9
147.81395	1.1
159.03014	2.5
161.04572	35.7
162.04921	2.2
177.04031	2.1
179.05629	100.0
180.05981	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	179.0562
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
51.55581	0.3
52.88749	0.3
54.82228	0.3
55.01882	0.7
55.10744	0.2
57.97549	0.3
58.00584	1.1
59.01379	19.7
60.01718	0.3
69.03456	0.4
69.73636	0.3
71.01385	14.7
71.72168	0.3
72.01730	0.3
72.99306	1.5
73.02959	1.8
75.00876	6.9
78.86159	0.3
79.05536	0.4
81.03465	0.7
83.01392	1.1
83.75622	0.3
85.02958	3.6
87.00884	12.9
88.01219	0.5
89.02451	7.3
89.04001	0.3
90.43420	0.2
91.05545	0.4
93.03487	0.4
95.01385	0.6
97.02956	1.1
99.00892	3.8
101.02446	3.1
107.05063	1.8
110.99203	0.3
113.02439	1.5
117.01970	2.5
117.03465	0.9
119.03460	0.5
125.02450	1.5
131.03513	0.3
134.03761	7.1
135.04539	100.0
136.04871	7.4
141.01959	0.8
143.03531	0.8
159.02995	0.5
161.04567	8.5
163.03998	0.3
177.03984	0.3
178.88086	0.4
179.03523	15.8
179.05623	13.7
180.03819	1.0
180.05864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.38161	0.2
54.23093	0.2
59.01372	0.4
63.03623	0.2
70.12123	0.8
71.01402	0.5
79.65216	0.2
87.00896	0.2
91.05547	0.5
93.03473	0.2
98.19997	0.2
98.85744	0.2
106.04259	0.4
107.05044	1.7
113.82809	0.2
117.03465	0.6
134.03763	6.2
135.04543	100.0
136.04871	8.0
179.03513	18.8
179.05789	0.3
180.03851	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	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
61.35574	0.2
66.17532	0.1
69.64833	1.3
74.91080	0.1
87.97654	0.2
89.03986	0.4
91.05539	0.4
93.03498	0.2
98.20656	0.3
106.04281	0.3
107.05045	1.7
117.03464	0.8
134.03763	6.7
135.04541	100.0
136.04865	8.0
142.54150	0.1
164.36884	0.2
179.03510	19.7
180.03831	1.6
196.90495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0272
Annotation	p-hydroxyphenylpyruvate
Peak:m/z	Relative Intensity
52.26659	0.4
59.01380	5.6
63.02402	0.7
65.00329	0.4
69.38906	0.9
69.39304	4.6
71.01392	4.0
73.02953	0.7
79.34609	0.5
83.01397	0.8
85.02951	1.2
87.00886	4.9
89.02454	1.9
89.03992	0.4
91.05567	1.0
93.03474	2.0
95.05007	0.9
96.05375	0.8
98.19871	0.8
99.00896	1.5
101.02469	0.7
105.03487	1.3
106.04340	7.5
107.01436	0.7
107.05042	1.8
108.02163	0.4
109.02966	1.0
111.00885	1.8
117.01947	1.3
117.03432	0.6
119.05080	0.6
121.02967	6.7
122.03244	0.5
123.00868	0.6
133.02975	52.9
133.54085	0.4
134.03778	100.0
135.04565	54.5
136.01637	0.5
137.02460	35.7
138.02811	2.8
139.04034	12.5
140.04362	0.8
149.02466	7.4
150.03250	4.6
151.00418	1.1
161.04561	3.0
163.03911	0.4
164.01196	1.1
164.04805	5.7
165.01927	1.2
178.02718	17.2
178.99884	0.8
179.03455	8.4
179.05608	4.0
179.07071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.98816	0.3
66.15199	0.1
66.82849	0.1
70.57798	0.6
71.01419	0.1
87.00916	0.2
94.02963	0.2
95.95202	0.2
101.93948	0.1
119.93792	0.5
134.96109	11.5
135.96178	1.3
136.94029	100.0
137.94099	11.6
151.92740	10.8
152.92856	1.1
154.95096	0.4
155.95145	0.2
164.01224	0.2
169.21999	0.1
178.95079	54.9
179.95177	7.7
196.96143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
56.74323	0.4
57.00433	0.4
57.03454	1.1
57.21885	0.4
58.00587	0.9
59.01089	1.0
59.01378	18.2
65.59289	0.5
69.41412	5.1
71.01385	32.0
72.01754	0.7
72.99314	2.3
73.02950	3.1
83.01399	1.2
85.02948	2.8
87.00883	49.1
88.01229	1.4
101.02460	1.1
112.98837	1.4
113.02458	0.6
115.00385	100.0
116.00711	3.4
127.00356	1.3
175.02495	33.9
176.02936	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	175.025
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03427	1.0
59.01379	27.0
61.85513	0.7
68.99843	0.7
70.79708	1.1
71.01386	37.3
72.99317	3.1
73.02936	2.7
83.01383	1.5
85.02964	2.2
87.00883	83.7
88.01220	2.2
98.20195	0.9
101.02449	1.1
112.98787	1.9
113.02420	1.3
115.00387	100.0
116.00710	2.9
127.00394	0.7
166.49223	0.7
175.02493	33.9
176.02834	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	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00295	1.6
53.78064	1.4
55.01889	7.0
57.03435	5.4
58.02968	9.7
59.01378	10.1
59.99076	1.1
67.01857	1.7
68.99809	2.3
69.61169	2.7
69.61576	8.5
71.01382	100.0
72.01740	3.0
72.99308	6.4
73.02953	7.3
74.02475	5.0
75.12283	1.1
76.27932	1.2
80.99794	1.4
83.01392	8.6
85.02952	7.7
86.06132	2.4
87.00876	4.0
91.19243	1.4
92.89330	1.3
93.03466	3.7
96.99317	3.7
99.00892	41.3
100.07683	8.2
111.00883	7.3
112.98822	44.5
113.99143	1.5
114.01977	2.3
114.05585	1.2
115.00390	6.4
124.98827	26.4
128.07191	13.1
129.01932	1.7
129.10356	9.2
131.08267	13.7
132.06705	3.2
142.99878	65.0
144.00194	2.3
146.17253	1.6
154.99879	3.5
173.00926	17.9
173.08006	2.1
173.09331	17.4
174.07733	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	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	100.0
59.02673	0.3
59.03321	1.8
61.98816	0.6
64.06730	0.2
66.03500	0.4
68.99811	0.3
69.03458	0.5
70.02985	0.6
70.93186	0.5
81.03436	0.3
82.02998	0.5
82.95396	0.3
83.10985	0.2
87.00869	0.4
96.96048	0.2
97.02978	0.7
122.89452	1.5
124.04063	0.9
124.04868	0.2
125.02465	7.9
125.06094	0.3
125.09703	0.6
132.86777	0.6
151.00456	0.3
151.11298	0.4
153.01480	0.3
168.06639	0.3
168.13936	9.3
168.99013	0.4
169.01418	3.5
169.06252	0.4
169.08614	0.4
169.12335	0.3
169.14256	1.0
187.08011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.6
53.78064	1.4
55.01889	7.0
57.03435	5.4
58.02968	9.7
59.01378	10.1
59.99076	1.1
67.01857	1.7
68.99809	2.3
69.61169	2.7
69.61576	8.5
71.01382	100.0
72.01740	3.0
72.99308	6.4
73.02953	7.3
74.02475	5.0
75.12283	1.1
76.27932	1.2
80.99794	1.4
83.01392	8.6
85.02952	7.7
86.06132	2.4
87.00876	4.0
91.19243	1.4
92.89330	1.3
93.03466	3.7
96.99317	3.7
99.00892	41.3
100.07683	8.2
111.00883	7.3
112.98822	44.5
113.99143	1.5
114.01977	2.3
114.05585	1.2
115.00390	6.4
124.98827	26.4
128.07191	13.1
129.01932	1.7
129.10356	9.2
131.08267	13.7
132.06705	3.2
142.99878	65.0
144.00194	2.3
146.17253	1.6
154.99879	3.5
173.00926	17.9
173.08006	2.1
173.09331	17.4
174.07733	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	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
61.66447	0.2
69.42573	1.8
91.05557	0.3
91.09074	0.2
92.61435	0.2
93.03465	1.3
119.05044	100.0
120.05377	7.2
120.73799	0.2
131.39656	0.2
163.04024	9.1
164.04388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06048	0.2
54.30204	0.2
55.86937	0.2
67.81040	0.2
67.94949	0.2
69.44099	1.8
93.03470	1.3
101.07030	0.2
117.03477	0.3
119.05046	100.0
120.05387	7.3
151.29062	0.2
163.04028	13.1
164.04344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34721	0.2
59.07271	0.2
66.61289	0.3
93.03459	2.0
100.52804	0.3
119.05043	100.0
120.05379	7.3
134.14902	0.2
152.59871	0.3
159.09729	0.3
159.73981	0.3
163.02699	0.5
163.04034	7.5
164.04359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
66.78644	0.7
69.77380	1.6
69.77782	3.1
72.00916	38.5
81.89622	0.7
82.17818	0.7
91.05558	1.9
97.87888	0.6
111.82310	0.7
116.86517	0.7
119.05035	1.7
120.05382	5.4
121.03004	2.3
146.06201	0.9
147.04547	100.0
148.04884	9.0
150.03235	1.0
162.79453	0.7
164.07196	53.0
165.04126	1.1
165.07544	4.7
176.58995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53246	0.2
55.01868	0.2
57.03457	0.7
58.02960	0.5
59.01385	1.2
59.73557	0.2
61.62842	0.2
65.00345	0.3
65.99873	0.9
66.03494	0.2
68.01440	0.2
68.99813	0.3
69.03459	0.6
71.01383	1.3
71.48355	0.2
71.71425	0.2
71.71863	0.2
78.95924	1.0
80.96516	0.5
81.03464	0.5
82.03004	1.3
83.01415	0.3
83.02517	4.3
83.05019	0.3
85.02962	0.6
93.03496	0.2
94.02995	0.2
95.05032	0.4
96.00893	0.3
96.04561	0.4
97.02958	0.8
97.06590	0.6
98.02489	0.5
98.06197	0.2
99.00894	0.4
99.04553	0.3
107.05051	0.7
108.04529	1.1
109.03050	0.2
110.00097	0.2
110.02489	0.4
111.00876	0.3
113.02485	0.7
122.06155	0.4
123.00869	0.3
123.04530	0.4
124.04061	0.9
124.04879	0.5
124.07703	0.6
124.98782	0.3
125.02491	2.1
125.06095	0.8
125.09732	1.0
126.03116	100.0
127.03483	3.4
138.05614	0.2
139.00363	0.3
139.04001	0.2
141.01976	0.3
150.05641	0.3
150.97058	0.4
150.98904	1.5
151.00264	0.4
151.03989	0.4
153.00493	0.2
153.01552	0.7
153.99106	0.7
166.90221	0.2
168.03000	0.4
168.04170	2.7
168.06454	0.9
168.10347	0.4
168.98213	1.0
168.99968	0.5
169.01422	3.0
169.03827	0.3
169.05078	0.8
169.06281	0.6
169.08713	0.6
169.12234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.7
56.21394	0.5
57.03450	26.0
58.00599	2.7
58.02966	1.9
59.01377	3.1
59.05010	1.1
61.98814	1.0
68.05067	1.0
68.99803	0.9
69.03444	1.4
71.01380	7.2
71.71426	1.0
72.99317	1.0
73.02946	4.2
74.02483	3.2
83.01393	100.0
84.01722	3.8
84.04568	0.7
85.02955	12.1
87.00890	2.5
87.04517	16.4
87.06466	1.2
87.44712	0.6
88.04050	4.2
88.04894	0.6
89.72634	0.5
97.02960	2.0
97.06612	0.7
98.02483	1.9
98.06118	1.1
99.00900	6.3
101.02447	2.5
111.00854	1.4
112.04062	1.1
113.02465	0.6
113.04375	1.3
114.05608	1.0
115.00387	0.6
115.04063	0.7
115.05949	0.5
116.03599	1.0
116.07221	2.8
117.07544	5.1
127.00402	6.6
128.00783	0.6
129.01953	2.6
130.05090	0.7
132.04608	0.9
141.01952	0.7
141.31642	0.6
141.42935	0.6
146.68164	0.6
152.11420	0.5
158.89316	7.4
159.03082	9.8
159.06635	1.3
159.08582	1.1
159.10228	0.7
159.89401	11.1
160.04079	13.7
160.06186	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.16856	0.2
70.02484	1.1
73.98013	0.2
93.03461	1.2
96.25644	0.3
98.19976	0.4
119.05045	100.0
120.04517	0.3
120.05379	7.7
163.04025	14.1
164.04381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9988
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01880	100.0
56.02213	3.6
57.03443	2.6
59.01373	3.9
59.89504	0.8
65.00304	1.0
67.01875	3.9
71.01383	16.5
71.11930	2.0
78.85552	0.8
78.95921	1.2
83.01394	55.2
84.01735	2.2
99.00909	1.5
108.30563	0.8
111.00877	8.5
111.02023	10.1
111.04596	1.7
112.04057	1.1
112.98827	1.0
114.05624	34.8
117.41270	0.9
127.00394	12.3
139.19666	0.8
145.36035	0.8
151.04022	6.7
154.99884	77.3
156.00217	5.4
156.06660	3.3
169.15369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.6
57.03449	26.1
58.00585	2.5
59.01364	0.8
59.05016	1.1
61.68794	0.7
68.99822	0.8
71.01385	3.8
71.05806	1.8
73.02943	2.1
83.01393	100.0
84.01720	5.4
85.02958	11.1
87.04521	16.9
88.04844	0.9
99.00883	4.5
127.00388	6.2
129.01973	0.9
137.94765	0.7
141.05559	0.7
159.03050	5.8
170.26485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
54.16315	0.7
55.01861	1.1
59.01367	0.8
65.00320	0.9
65.03986	0.9
66.03490	17.3
67.01855	0.7
67.03824	6.9
68.99816	1.5
69.03465	3.0
69.39190	0.7
71.05019	2.5
71.14770	1.5
71.15118	1.1
81.03453	5.6
82.03008	3.1
83.01388	1.6
83.05031	1.0
92.05069	5.3
95.01382	1.1
95.05015	1.5
97.02987	0.9
97.05957	1.3
97.06604	27.6
98.02518	0.7
98.06966	1.4
99.08165	8.4
108.02181	4.6
109.02972	63.9
109.06607	2.5
110.00100	5.6
110.02583	1.3
110.03309	4.8
110.06152	1.2
111.04556	1.1
111.08177	0.9
112.04053	1.6
123.00912	1.0
123.04519	2.8
124.04066	9.7
124.98819	0.7
125.02480	4.2
125.09737	2.2
135.04529	3.9
136.00386	1.1
136.04091	5.5
137.09753	3.3
137.99612	6.9
151.00372	1.3
151.11307	2.1
153.01970	21.4
153.03091	1.7
153.03914	0.9
153.05626	3.0
153.12875	100.0
153.86887	56.1
154.01390	1.3
154.02448	1.3
154.03925	1.0
154.05067	5.6
154.13210	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	153.0559
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
50.10471	0.2
53.70322	0.2
59.01397	0.3
61.79951	0.2
62.69642	0.2
63.65878	0.2
65.03972	0.2
66.03484	5.6
67.03832	1.6
68.99814	0.6
69.03435	0.5
71.01392	0.3
71.24015	0.5
72.99308	0.4
81.03461	2.2
82.02998	1.4
83.01378	0.4
83.39934	0.2
85.02948	0.4
92.05051	1.1
93.03474	0.8
95.01397	0.7
95.05029	1.5
96.96022	0.3
97.02949	0.5
98.02505	0.6
100.90226	0.2
105.03458	0.4
107.01337	0.3
107.05029	0.3
107.21175	0.2
108.02180	1.5
109.02969	14.4
109.04133	0.6
109.06591	1.1
110.00109	3.7
110.02589	0.4
110.03285	0.8
110.06135	0.4
112.04088	0.4
116.27467	0.2
121.02984	0.3
122.03754	2.2
123.04539	100.0
124.01685	0.4
124.04047	6.6
124.04881	6.4
125.02488	2.0
126.01944	0.4
126.02849	0.2
135.04555	2.3
135.08173	0.2
136.00507	0.2
136.04056	3.2
137.02399	0.4
137.99606	5.1
138.99963	0.3
139.02753	0.3
151.00336	0.4
151.11307	0.2
153.01970	9.0
153.05591	21.6
153.09224	0.8
153.12857	0.7
154.01335	0.5
154.02417	0.6
154.04961	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	149.061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
68.77875	0.6
70.80441	0.7
71.01390	2.0
71.18323	1.7
73.02956	1.3
87.00935	0.9
89.02455	4.5
93.03484	1.1
98.35886	0.6
107.47887	0.7
121.02966	7.3
131.03552	0.8
134.03761	100.0
135.04091	10.6
149.02470	3.3
149.04610	2.5
149.06100	5.3
150.00227	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	149.061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.7
65.00309	1.1
69.92838	2.2
69.93253	3.4
71.01391	1.7
73.02953	1.2
87.04737	1.1
89.02444	4.2
93.03495	5.3
97.96068	0.9
98.19975	1.8
106.04240	0.9
121.02973	22.4
122.00473	0.9
124.51359	1.0
134.03760	100.0
135.04091	10.2
149.02452	6.4
149.04593	2.7
149.06076	4.4
150.00255	2.3
150.03093	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	149.0457
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
50.31033	1.3
58.58619	1.3
59.01383	8.9
69.03478	1.9
71.01386	31.6
71.21004	3.5
72.99285	2.8
73.02951	22.0
75.00875	15.4
87.00891	10.2
89.02452	100.0
90.02813	2.5
103.04027	7.5
121.01587	1.3
131.03519	14.6
132.03877	1.5
149.04572	58.0
150.04895	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	149.0458
Annotation	87-72-9
Peak:m/z	Relative Intensity
52.81718	1.6
59.01385	8.8
62.90546	1.5
71.01383	31.6
71.71261	1.9
72.99310	3.4
73.02946	21.9
75.00874	20.1
87.00881	11.6
89.02456	100.0
90.02800	2.0
90.10374	1.4
103.04012	7.8
120.60329	1.6
131.03526	16.0
149.04575	58.0
150.04932	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	146.0462
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
57.03442	1.8
59.01384	2.6
67.77421	1.2
70.57930	3.9
70.58271	1.0
71.01382	3.8
74.02468	5.5
75.00880	1.3
84.04562	2.8
85.02953	2.4
98.19995	1.2
99.00889	2.7
101.02467	1.8
102.05621	100.0
103.04047	1.6
103.05974	5.1
122.10690	1.1
128.03554	45.9
128.05501	1.9
129.01967	4.1
129.03897	3.7
130.81396	1.3
146.04623	24.5
147.03015	1.5
155.50809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0302
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
53.58530	0.8
54.29853	0.8
57.03448	20.4
58.03775	0.9
59.01381	8.0
66.13561	0.9
69.76968	5.2
71.01396	1.7
71.05015	0.9
78.96703	1.0
85.02960	64.3
86.03296	4.1
87.00886	100.0
88.01237	3.9
101.02463	4.1
102.59631	0.9
103.04037	9.5
104.04391	1.2
113.07600	0.8
125.12317	1.0
129.01976	20.3
130.02333	1.7
137.19630	0.9
147.03023	40.2
148.03387	3.0
156.41356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	26.5
57.37305	1.3
59.01382	18.4
70.63776	5.2
71.01389	11.9
71.05011	7.7
72.99313	4.6
75.00887	5.3
78.01917	1.6
83.04991	2.0
85.02959	63.2
86.03280	3.3
87.00884	100.0
88.01218	3.5
89.02468	2.3
90.04381	1.4
98.20415	2.3
99.00903	3.9
101.02477	7.3
101.06096	5.3
103.04035	11.5
117.66821	1.4
129.01959	26.9
130.02330	2.1
146.56381	1.6
147.03014	38.7
147.06644	15.4
150.49634	1.2
150.52319	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	148.0229
Annotation	Benzyl thiocyanate
Peak:m/z	Relative Intensity
57.57634	0.5
57.97561	35.6
58.97894	0.6
59.01374	1.8
70.77891	0.5
70.89181	0.5
71.01373	2.4
71.43141	0.5
71.43492	1.0
72.01679	0.5
73.02953	1.0
79.76145	0.5
87.00896	1.2
89.02445	6.3
93.15740	0.5
94.99320	1.5
102.03522	4.6
103.04010	0.7
104.97758	1.2
116.05060	7.0
117.05431	0.7
117.93910	0.5
121.02972	3.3
131.03531	1.0
134.03810	1.1
146.02531	0.7
147.01515	7.4
148.02295	100.0
148.96747	0.5
149.02609	10.5
149.04573	3.4
149.06137	1.3
159.97876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03440	5.5
59.01372	6.0
71.01389	22.9
71.13756	2.7
72.99310	2.9
73.02948	2.7
74.02469	4.7
83.01392	4.0
84.04556	3.1
87.00883	11.1
98.02497	3.0
99.00867	1.7
101.02453	15.1
101.06087	1.4
102.05626	13.3
109.04079	1.6
115.00388	14.9
127.00400	4.0
127.05132	3.6
128.03552	8.0
144.96490	100.0
145.01437	11.6
145.05104	2.0
145.06239	3.0
146.02550	2.1
146.04617	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	145.0145
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01883	6.2
57.03449	23.2
59.01378	16.9
69.96375	27.4
69.96775	8.4
71.01385	79.0
72.99316	8.7
73.02960	17.7
74.02475	23.1
83.01411	13.4
84.04572	15.4
87.00887	39.7
98.02449	5.7
98.20525	9.0
101.02454	100.0
102.05630	55.3
115.00394	63.3
116.03612	8.7
127.00369	9.9
127.05127	8.0
128.03587	31.4
134.48471	5.4
145.01431	44.3
145.06203	8.1
146.04613	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	145.0144
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01864	1.6
57.03440	5.5
59.01372	6.0
71.01389	22.9
71.13756	2.7
72.99310	2.9
73.02948	2.7
74.02469	4.7
83.01392	4.0
84.04556	3.1
87.00883	11.1
98.02497	3.0
99.00867	1.7
101.02453	15.1
101.06087	1.4
102.05626	13.3
109.04079	1.6
115.00388	14.9
127.00400	4.0
127.05132	3.6
128.03552	8.0
144.96490	100.0
145.01437	11.6
145.05104	2.0
145.06239	3.0
146.02550	2.1
146.04617	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	14.7
59.01376	5.1
68.99809	1.9
69.03488	2.6
69.90449	11.3
71.01385	34.1
72.99294	3.5
80.99828	5.4
82.02994	2.4
85.02955	2.9
87.00868	8.0
96.99317	22.0
98.20169	3.2
99.00896	1.8
100.66856	1.7
112.98814	18.9
115.00346	3.2
124.98820	77.4
125.02408	2.7
125.99177	3.1
140.98299	9.7
142.05115	2.2
142.99876	100.0
143.10794	1.7
144.00252	5.9
144.04634	2.1
144.06691	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	142.9988
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00313	16.1
59.01362	5.0
68.99826	4.0
69.03451	2.8
71.00995	2.1
71.01389	37.3
71.70364	2.6
72.01714	1.9
72.99303	1.9
77.61333	1.8
77.80380	1.6
80.99834	3.8
83.66692	1.4
85.02972	2.7
87.00888	8.2
88.27178	1.4
96.99316	15.9
112.98825	21.3
113.99130	1.9
115.00378	3.9
124.98827	62.2
125.02468	2.3
125.99216	2.8
140.98360	9.0
141.68059	1.6
142.05119	3.3
142.99883	100.0
143.10777	1.4
144.00226	7.3
144.06665	14.4
152.43762	1.6
158.99376	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	138.0563
Annotation	Antibiotic P 3355
Peak:m/z	Relative Intensity
55.01865	2.7
56.36917	0.6
66.03485	1.6
67.01895	3.7
67.03014	0.7
68.99825	1.6
69.03426	0.9
69.37113	1.6
69.37533	5.8
78.95880	0.8
81.04604	0.7
83.01385	2.6
83.05035	1.5
92.05069	14.2
93.03455	2.2
94.02995	7.8
94.03805	3.9
95.01423	1.3
95.03281	0.8
95.05052	3.8
96.04527	0.8
96.46371	0.6
96.96035	4.7
98.20068	3.1
106.13042	0.6
107.03759	1.0
108.02198	3.3
108.04569	50.3
109.04908	2.8
110.02487	2.0
110.06133	1.5
111.00903	14.6
111.04500	1.0
120.04570	15.5
121.04908	0.8
122.02489	5.4
123.03295	6.9
124.01650	1.6
136.00439	1.1
136.04095	1.6
137.02237	0.7
138.01988	11.1
138.02841	3.1
138.05627	100.0
139.00407	8.4
139.04141	3.2
139.04930	1.0
139.05998	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	13.0
53.29513	1.6
53.86246	1.9
59.01369	3.7
60.91642	1.8
61.13016	1.6
62.32831	1.7
65.93441	1.6
66.62627	1.6
68.99823	3.8
70.91281	1.6
71.01384	37.9
71.71961	3.5
71.94192	1.8
80.99816	4.7
85.02959	6.2
85.04045	1.8
87.00884	6.5
96.99328	18.5
97.02946	2.5
106.66546	1.6
112.98811	18.7
113.02495	1.9
115.00408	3.1
124.98823	69.0
125.02494	4.5
125.99173	3.8
140.98318	10.4
142.05156	3.5
142.99881	100.0
143.03543	4.8
144.00223	6.7
144.04602	3.4
144.06673	23.9
158.99323	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	134.0376
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
55.72118	2.9
58.58495	3.2
70.72994	11.5
71.01384	5.8
72.01723	6.7
85.02967	4.1
88.90843	3.0
98.20097	6.4
105.44537	2.9
106.04269	7.7
107.05054	5.3
112.87212	3.4
116.00739	15.1
131.69183	3.2
134.03772	99.4
135.04564	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	135.0304
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01867	0.6
55.24533	0.4
58.00597	0.6
59.01383	10.3
61.50394	0.4
63.19651	0.4
64.95380	0.5
70.32205	2.3
71.01388	4.6
72.99312	14.1
73.02966	0.6
73.99636	0.6
75.00878	100.0
76.01232	2.1
87.00896	1.4
88.04240	0.5
89.02454	9.4
107.97502	0.4
117.01971	2.0
134.03799	0.5
135.03020	29.6
135.04514	4.2
136.03355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.64887	0.3
51.35967	0.4
54.54764	0.4
55.01877	0.8
62.71592	0.4
67.01899	0.8
71.49299	0.5
71.49656	0.6
79.95734	0.4
83.01419	0.5
84.72088	0.4
93.03472	1.2
94.02997	1.2
94.03823	1.8
95.05030	0.6
103.02425	0.4
108.02190	47.7
109.02520	1.8
110.02515	0.8
111.00886	3.2
115.84624	0.4
123.03320	0.6
124.01635	0.5
136.00450	0.8
138.01994	100.0
138.05611	1.2
139.00523	2.2
139.02359	6.8
139.04001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20090	0.9
59.01350	1.6
70.30429	3.8
70.30814	2.0
71.01385	68.7
72.01726	2.3
72.99314	16.0
74.68827	0.9
87.00855	1.1
89.02454	7.0
98.20514	1.8
100.49274	1.0
105.03498	2.7
115.00386	100.0
116.00723	4.2
133.01454	26.5
133.03003	4.2
142.04431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
64.24954	1.0
68.46537	0.9
69.42444	10.5
69.42850	2.2
71.01385	54.8
72.01717	1.9
72.99313	14.8
89.02458	7.0
90.74074	0.9
105.03458	1.8
115.00385	100.0
116.00725	5.1
133.01440	26.0
133.02936	1.8
134.01801	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01372	1.6
69.57245	10.1
71.01384	67.1
72.01727	2.4
72.99318	14.5
89.02448	7.9
98.19936	2.7
115.00385	100.0
116.00717	4.8
133.01448	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01903	0.8
59.01384	1.2
71.01385	56.0
71.46072	1.9
72.99314	13.6
87.00893	1.7
89.02450	6.8
115.00389	100.0
116.00703	4.8
123.23907	0.9
133.01448	28.3
133.02417	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
59.01392	1.0
68.32056	0.7
71.01389	63.3
71.34833	1.5
71.35146	0.7
72.01730	2.1
72.99316	13.0
87.00887	1.9
89.02470	6.8
91.27283	0.7
98.20372	0.9
115.00389	100.0
116.00719	4.3
133.01454	28.1
134.01775	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
50.66708	1.1
56.48515	1.0
59.01377	1.2
70.03278	6.0
71.01385	67.3
72.01723	2.1
72.99314	15.7
89.02463	7.0
95.05027	1.3
98.19952	1.6
104.78286	1.1
105.03484	2.1
108.75682	0.8
115.00385	100.0
116.00728	3.7
125.79655	0.9
132.02153	1.4
133.00446	1.7
133.01443	31.3
133.02998	3.4
134.01802	1.5
137.28354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
55.01873	16.8
57.03440	19.0
58.03008	7.4
59.01377	13.2
60.04129	6.3
67.01898	14.0
68.99805	6.6
69.45393	18.4
69.45801	50.6
71.01393	18.0
72.99341	6.8
73.02964	10.9
80.90731	5.5
83.01394	6.7
85.02969	36.0
85.06626	13.6
86.06165	7.8
88.04063	17.9
101.02464	8.1
107.56751	5.4
111.04504	10.1
113.86198	6.0
128.90202	46.7
129.01942	37.0
129.05591	73.3
129.07506	16.6
130.08765	100.0
132.72342	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	130.0877
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.24908	0.5
70.02970	0.5
70.88876	1.0
70.89239	1.2
71.01383	1.1
73.02950	2.7
76.84169	0.4
78.43739	0.5
80.55505	0.6
82.43858	0.5
87.04531	1.0
88.04050	1.3
89.66343	0.5
95.02515	0.6
103.61828	0.5
104.76863	0.5
107.96192	0.5
113.03591	1.0
114.01987	2.1
120.52279	0.6
130.08759	100.0
131.04611	0.7
131.09100	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	132.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
70.02975	0.1
71.01385	59.3
71.04485	0.1
72.00912	0.6
72.99310	13.2
78.95920	0.1
82.30405	0.0
87.00885	1.2
88.04050	8.3
89.02453	7.4
89.03570	0.9
89.04329	0.2
96.96944	0.1
114.01972	0.4
115.00386	100.0
116.00717	0.1
132.03047	2.5
133.01448	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97459	0.9
59.01371	1.5
71.01387	56.7
71.33073	1.2
71.33417	2.1
72.01723	2.2
72.99311	11.4
87.00888	2.1
89.02457	8.0
115.00391	100.0
116.00699	4.4
129.25403	0.9
133.01456	31.7
133.05061	1.3
144.79480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03479	2.7
108.02190	1.9
120.01276	6.5
120.04626	1.4
120.05366	5.9
121.02971	100.0
134.32861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.83816	0.3
57.03453	6.1
58.02961	1.0
63.00444	0.3
67.01893	10.9
68.02223	0.7
68.99816	1.3
69.98334	1.2
69.98753	0.8
71.01378	1.3
72.99296	0.5
73.02962	0.8
76.44046	0.4
83.01389	0.9
85.02971	4.3
86.06163	0.4
88.04057	3.2
88.65375	0.4
98.20543	0.5
99.00915	0.6
101.02460	0.9
111.12537	0.3
128.90178	0.6
129.01955	4.7
129.03917	0.7
129.05615	0.3
130.02284	0.4
130.08757	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	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.03705	0.3
69.62542	0.3
70.01360	2.2
73.02950	100.0
74.03289	3.1
75.90229	0.4
99.00889	8.7
100.89916	0.3
117.01958	19.7
118.02287	0.7
121.14522	0.3
125.48805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
58.19697	0.3
59.01377	0.4
61.34328	0.3
67.69282	0.3
70.96631	0.9
71.01383	0.5
71.94090	0.3
73.02953	100.0
73.94946	0.3
74.03290	3.3
99.00896	8.1
99.92603	0.6
100.01205	0.4
100.92490	0.3
100.97900	0.3
104.03395	0.3
114.02824	0.3
116.92900	1.9
117.01956	19.1
118.02299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.51524	0.4
66.75084	0.4
69.55629	1.4
69.56054	3.4
80.66788	0.6
91.05521	1.0
93.03466	2.0
98.20573	1.0
105.15526	0.5
119.05043	100.0
120.05388	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	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72863	0.6
70.02020	3.4
70.02441	1.1
93.03468	2.4
98.19891	1.0
117.97464	0.8
118.92632	0.9
119.05044	100.0
120.05366	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	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98585	0.3
60.41718	0.3
61.48781	0.3
70.60696	0.3
71.23350	0.7
79.91135	0.3
91.05538	0.6
93.03487	2.3
114.83749	0.3
118.92710	0.7
119.05045	100.0
120.05382	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.01657	0.9
55.01880	30.5
56.02212	1.4
61.93082	1.1
67.01890	6.8
67.05740	1.0
70.94182	3.1
71.01374	4.9
78.95911	45.8
83.01396	100.0
84.01728	5.4
85.02937	1.2
98.20039	1.3
98.20540	1.2
110.97592	2.7
110.98558	1.0
111.00887	38.9
111.02019	16.9
111.04520	1.4
112.01217	2.0
112.04057	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	51.3
90.42252	0.3
96.96972	3.6
98.20620	0.4
98.33228	0.2
112.44119	0.2
150.98071	0.7
152.99606	59.3
153.99940	0.6
171.00656	16.7
195.06831	0.2
227.03281	3.2
245.04301	71.6
246.04691	2.0
253.21715	33.1
254.22040	1.8
309.70398	0.3
478.29276	0.3
479.29636	0.6
481.25702	100.0
482.26025	8.7
482.33060	0.3
522.87311	0.3
584.84003	0.3
795.23425	0.9
796.23059	0.3
895.46008	0.6
1123.49207	24.2
1124.49377	8.9
1124.74243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
54.96190	1.8
59.01383	11.5
69.95549	9.0
71.01385	63.1
72.99322	2.8
87.00885	100.0
88.01231	2.1
115.00394	12.5
116.07211	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	1150.6323
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96979	1.8
102.88302	0.6
119.32245	0.6
122.00130	0.8
140.01228	5.7
152.99606	5.3
171.00670	3.0
196.03786	8.2
214.04865	2.7
277.21722	70.6
278.22150	6.0
474.26263	100.0
475.26630	10.0
747.49548	0.7
1167.38831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95912	5.9
91.32074	0.2
95.13612	0.2
98.20610	0.3
115.81166	0.2
139.49426	0.2
140.01274	0.2
152.99609	1.0
161.54651	0.2
171.00668	0.6
177.95963	0.2
179.31837	0.2
279.23294	6.8
280.23688	0.8
437.12222	0.4
438.13275	0.8
451.14294	0.8
452.14914	2.7
453.15195	0.5
455.09888	0.3
455.17331	0.2
459.50125	0.2
465.15924	0.6
466.16403	0.6
467.17075	0.3
476.27838	3.5
477.28131	0.4
479.17163	0.7
480.14325	0.8
481.15063	7.2
482.15308	1.6
484.13983	0.4
493.15411	1.8
494.15738	0.9
495.16776	12.9
496.17139	3.4
498.15274	0.5
507.16431	1.1
508.18103	1.6
509.18484	1.5
512.13208	1.6
513.13593	0.3
519.16492	0.3
521.14917	0.8
522.15118	0.2
523.19116	0.7
524.20081	0.2
525.17841	0.4
526.14929	0.8
533.18384	0.9
534.18427	0.3
535.16223	2.1
536.16876	2.7
537.17224	0.6
539.15900	0.5
540.16882	2.9
541.16400	0.7
551.19336	42.9
552.19604	10.4
553.17719	0.8
554.18542	1.7
555.19067	1.5
556.19342	0.3
567.18982	0.7
568.16895	0.6
572.15558	3.5
573.15662	0.7
583.21930	0.5
586.17084	4.1
587.17126	1.0
595.18372	1.7
596.18976	0.3
627.21118	100.0
628.21399	24.4
960.63196	0.3
1104.49646	2.9
1105.51062	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	1109.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02514	0.1
89.03973	0.2
91.05556	0.5
93.03464	0.8
107.01387	0.1
114.99555	0.1
115.00385	4.7
117.03487	0.5
119.05026	0.5
121.02970	8.0
122.03366	0.1
132.02162	1.0
133.01450	3.5
134.03741	0.2
135.04533	0.8
137.02475	0.2
145.02933	0.1
147.04536	2.8
149.02458	46.9
150.02821	1.5
151.00389	0.7
152.01157	1.3
159.04703	0.1
163.00398	0.1
163.04010	1.1
164.04805	33.1
165.01936	0.2
165.05130	1.1
167.03571	0.2
169.01425	0.1
169.05046	0.5
178.99869	0.3
179.07130	3.4
183.04474	0.2
193.01427	2.6
193.05057	0.1
194.01680	0.1
197.37805	0.1
199.03996	0.6
208.03775	6.8
209.04181	0.3
215.03503	0.3
222.05374	0.1
223.06114	100.0
224.06444	3.9
227.03448	1.0
242.02261	0.5
243.02972	3.2
244.03442	0.2
255.02968	1.9
257.04514	0.5
270.01718	0.6
271.02448	4.7
272.02997	0.3
284.03244	0.9
285.03989	1.1
286.04742	0.5
287.05511	0.2
299.01959	9.5
300.02591	1.5
313.03619	0.3
314.04312	11.6
315.04971	2.5
339.07202	5.3
340.07614	0.2
444.34555	0.1
739.21161	1.1
740.20959	0.2
769.22229	26.6
770.22388	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	1103.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05070	1.2
82.02975	0.6
83.01435	0.4
85.02962	3.1
86.00099	0.7
87.00882	1.8
89.02465	2.2
94.02995	8.4
94.06635	10.5
95.01425	0.5
96.01761	0.3
96.04552	1.6
98.19865	0.6
99.00907	0.7
101.02459	3.3
104.05084	0.5
106.06639	15.7
107.07027	0.5
108.04549	2.7
110.06112	0.7
113.02453	3.0
118.34542	0.3
119.03545	0.6
119.39710	0.3
120.08216	5.0
122.06141	2.4
124.07693	7.3
125.02490	0.3
131.03529	1.3
132.04590	1.8
134.06151	0.8
136.04095	1.9
136.07684	0.5
137.04915	0.4
138.05638	4.7
139.05946	0.3
144.08157	0.5
147.03253	0.3
148.04123	0.6
148.07715	0.8
150.05585	1.7
152.07167	1.0
158.02516	0.5
158.06145	1.0
159.03065	0.7
160.04085	0.8
161.04605	2.0
168.06671	11.0
172.07721	0.5
174.05634	0.7
174.09315	0.6
180.06633	0.9
182.08279	0.6
190.05090	3.0
192.06812	0.4
197.10892	0.6
201.10352	0.4
207.09235	0.4
209.10898	0.4
210.07802	0.6
211.12341	0.5
213.10381	1.0
215.11920	1.5
221.06659	1.9
221.10818	2.5
222.07986	0.5
222.11240	0.4
223.08723	3.2
223.12450	0.7
224.09531	1.1
225.10239	0.7
233.10857	0.6
235.08766	1.3
235.12379	0.8
236.09499	1.2
237.06808	0.4
237.10309	4.2
238.11079	0.9
239.11900	3.4
241.09779	0.8
243.11391	1.0
245.87546	0.3
248.09459	0.4
249.06738	1.7
249.10280	4.8
250.07426	1.1
250.11084	0.8
251.08273	2.7
251.11864	3.8
252.08922	0.4
252.12570	0.7
253.09889	0.6
253.13557	0.6
261.06461	0.3
261.10236	1.7
262.07391	1.7
262.11136	0.7
263.08237	6.6
263.11847	3.3
264.08987	6.7
264.12518	1.5
265.09802	5.2
265.13367	2.0
266.10529	0.4
267.11356	1.8
268.08435	0.6
269.09491	0.4
269.12924	0.6
271.10922	0.6
275.08426	1.6
275.11899	1.1
276.08966	4.0
277.09833	13.5
277.12909	0.7
277.41376	0.3
278.10522	3.1
278.14041	0.7
279.11377	12.0
280.12085	3.3
281.09711	0.4
281.12900	1.6
283.10825	0.7
285.12473	1.2
289.09698	2.0
290.10593	2.4
291.11371	9.2
292.12103	5.3
292.15082	0.4
293.09467	0.6
293.12891	2.3
295.10809	1.4
297.09088	0.3
297.12424	1.4
303.11154	1.7
304.12057	1.3
305.09317	2.8
305.12982	2.6
306.10162	0.7
306.13690	4.4
307.10840	0.6
307.14304	0.5
310.09637	0.6
312.11209	0.5
314.12927	1.2
316.11002	0.4
316.14484	1.7
317.09494	0.7
318.10092	0.4
322.09778	0.4
323.10291	3.0
324.11154	3.3
325.11932	1.2
326.12894	1.3
327.13712	1.1
328.14618	0.7
329.15469	0.8
331.10608	0.6
334.15430	0.7
336.11087	1.9
337.11795	0.8
340.14514	0.5
341.15436	0.5
342.16156	2.6
344.14050	0.8
344.17749	1.4
346.15500	0.5
349.11945	1.2
350.12616	0.9
353.11469	0.7
354.12357	0.7
354.16229	0.5
356.10065	0.3
356.14014	0.9
356.17630	1.5
357.18588	0.5
358.15668	2.3
358.19370	0.4
359.16364	0.9
360.13428	1.3
360.17386	1.0
368.13931	2.6
368.17847	0.4
369.14777	1.2
370.15640	6.5
370.19843	0.6
371.16064	1.0
371.20059	0.8
372.13156	0.5
372.17209	0.7
373.14008	0.4
374.14682	0.6
374.18817	2.1
375.19418	0.4
376.16544	1.2
382.15610	1.9
383.16324	1.1
384.13107	0.3
384.17236	5.0
385.13559	0.5
385.18216	0.7
386.14917	1.0
386.18985	0.8
388.16483	2.0
396.17368	2.1
397.17966	2.0
398.18774	4.6
399.19501	5.7
400.16586	1.2
401.17917	0.7
402.13934	0.5
402.18353	1.4
410.14871	0.8
412.16608	1.4
413.17770	0.5
414.13754	0.6
414.19040	1.6
415.18881	0.9
416.20035	2.4
417.20581	1.2
418.17352	1.6
419.18567	0.5
420.19379	0.8
424.16339	2.0
425.17471	9.9
426.18283	1.9
428.15973	2.1
429.16861	0.5
430.17926	1.6
431.18420	1.4
442.17709	8.0
443.18491	46.5
444.19101	8.2
446.17255	1.1
449.19537	0.4
460.18729	1.8
461.19571	12.1
462.20364	4.4
463.20877	0.5
464.17758	0.4
470.16901	0.6
474.20752	0.5
479.20767	0.6
486.17032	0.6
487.17694	2.3
488.18124	0.9
495.23831	1.0
521.21838	3.7
522.22430	0.5
537.24872	0.7
539.22864	5.0
540.23132	1.0
557.24188	1.5
563.22919	2.0
581.24091	3.9
582.24475	0.7
583.22144	1.7
599.25159	3.5
600.25476	0.8
609.46143	0.5
615.24768	1.8
617.26172	2.0
625.23065	2.5
631.27832	0.5
643.24084	7.0
644.24188	0.5
657.26050	0.7
675.26776	2.1
676.27673	0.4
737.24768	0.4
826.30524	0.8
865.31415	0.5
870.29535	3.1
871.30908	1.6
879.32690	0.4
902.31952	3.8
903.33087	1.0
967.35071	17.4
968.35144	3.4
983.38721	0.6
985.36908	0.6
999.37604	27.3
1000.37628	5.9
1009.35968	17.4
1009.57520	0.6
1010.36084	3.8
1017.38196	0.6
1027.37036	100.0
1028.37280	23.2
1041.38611	18.4
1042.39221	4.1
1059.39600	64.3
1060.39917	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	1103.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	1.2
85.02960	2.8
86.00095	0.4
87.00881	4.1
87.76802	0.3
89.02450	2.5
94.02985	0.8
94.06624	0.8
95.01440	0.3
97.02956	0.5
99.00901	1.0
101.02458	5.1
106.06631	1.0
107.03758	0.4
108.08228	1.5
109.95834	0.3
111.31537	0.3
113.02465	3.7
115.00385	0.8
119.03509	0.9
120.00933	0.7
120.04617	0.4
120.08195	1.0
121.02890	0.4
122.02535	0.4
122.06136	6.7
124.07682	0.6
125.02464	0.8
126.34460	0.3
130.06633	0.5
131.03529	2.5
132.08174	0.4
134.06088	0.7
136.07684	0.9
137.02295	0.3
143.03513	0.9
145.05341	0.6
148.04123	0.3
150.09245	3.6
159.02997	0.5
160.07681	6.9
161.04575	3.5
161.07956	0.4
162.09259	0.4
168.06668	1.5
169.07883	0.3
171.44810	0.3
172.07668	0.8
174.09244	1.7
175.02501	0.6
178.08719	0.9
179.05600	0.8
180.10309	2.3
182.08228	0.8
190.08749	6.6
196.07646	0.5
197.10809	0.4
199.05107	1.8
199.08817	2.0
200.07234	0.7
202.08720	0.5
207.09048	1.8
208.09789	7.3
209.10123	0.4
213.06763	1.5
213.10445	0.5
215.09512	0.5
221.06667	3.5
223.08609	0.4
224.09253	3.2
225.06615	0.6
226.07310	2.9
227.08247	7.7
228.08916	0.9
232.09689	0.6
234.07693	1.2
235.08609	0.5
237.10260	0.6
239.08298	0.8
240.09019	0.4
241.09825	14.6
242.10574	10.9
243.07689	0.6
243.11101	1.0
246.06441	0.8
249.10283	0.4
251.08034	1.8
251.11903	0.4
252.08742	12.8
253.09641	1.6
257.09311	0.7
257.37045	0.4
258.10019	0.5
263.08151	0.6
264.08667	0.4
265.06122	1.0
265.09738	0.9
266.10449	0.9
267.07797	2.5
267.11093	1.9
268.08493	1.8
268.12070	0.9
273.12451	2.8
274.09680	0.3
276.08777	0.4
277.09875	1.1
278.10638	0.4
279.07767	2.5
279.11145	0.6
280.08554	3.0
280.11719	0.6
281.09317	0.8
283.10886	0.3
285.08823	1.3
286.09592	17.0
287.10019	1.0
291.11389	0.6
292.08383	0.4
293.09351	1.4
294.09961	3.5
295.10870	4.6
295.14102	0.4
296.11560	1.0
307.10809	0.7
317.11398	1.4
321.08704	1.1
322.09457	0.8
323.10236	0.5
337.15366	0.5
338.09222	0.5
339.09769	1.3
340.10632	1.6
341.11389	0.5
347.14001	0.9
352.10599	0.7
354.11765	0.5
356.17944	0.5
364.16702	2.9
382.15637	0.6
384.17178	0.7
385.17712	0.4
390.14548	1.0
396.12958	1.0
400.16837	0.5
408.15649	22.2
409.15997	2.4
412.15985	0.5
414.14075	1.1
416.16071	0.7
429.16800	0.4
431.18317	0.7
440.18430	3.1
441.17099	1.3
442.17639	0.5
444.15845	1.1
445.16403	0.4
456.15167	5.3
457.15903	0.5
458.17401	0.4
459.18106	1.6
460.18640	0.5
462.16345	0.6
503.17303	2.1
504.17624	0.5
576.19086	0.6
581.24286	0.9
599.25702	0.4
617.26349	0.4
618.20526	100.0
619.20837	11.3
625.23145	4.4
626.23206	0.8
643.24146	1.3
657.25885	1.1
660.79883	0.3
665.07275	0.3
756.87738	0.3
842.28809	0.5
869.29047	0.4
887.29102	0.4
942.66736	0.4
985.36346	0.7
991.34845	3.4
992.35553	0.9
1009.35980	12.9
1010.36334	2.9
1023.37634	2.0
1024.36792	0.7
1027.37097	28.6
1028.37378	6.9
1041.39050	2.3
1042.38123	0.7
1059.39429	9.5
1060.39465	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	1101.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05058	1.3
81.03444	0.1
83.01402	0.5
85.02965	1.3
86.00113	0.3
87.00890	1.2
89.02467	0.8
92.05103	0.2
94.02990	0.9
94.06635	4.8
95.01382	0.2
96.04571	0.4
98.02515	0.2
99.00890	0.4
101.02464	1.7
104.05085	0.6
106.03019	0.1
106.06644	7.7
107.07008	0.2
108.04568	2.2
110.02494	0.3
113.02464	1.2
118.06693	0.2
119.03503	0.2
120.04577	0.4
120.08232	0.7
121.05358	0.5
122.02497	0.5
122.06139	2.5
123.03270	0.5
124.04079	2.5
124.07703	3.4
130.06598	0.3
131.03532	0.7
132.04582	1.9
132.08150	0.2
134.06157	0.6
136.04068	4.3
136.07715	0.2
138.05629	1.7
141.01691	0.2
143.04680	0.1
146.06165	0.4
147.05646	0.9
148.04099	0.7
148.07741	0.4
150.05647	3.5
151.19891	0.1
152.03532	0.3
152.07242	0.3
158.02509	0.4
158.06143	0.9
158.09653	0.2
160.04070	0.7
160.07678	0.4
161.03458	0.3
161.04662	0.9
162.05646	0.2
164.07153	0.2
166.05203	0.3
168.06696	6.7
172.07643	0.1
174.05602	0.7
175.02699	0.2
175.05156	0.4
176.03506	0.1
180.06674	0.5
181.07715	0.2
182.08298	0.4
184.11307	0.2
185.07208	0.3
186.05695	0.2
187.08728	0.3
188.07217	0.2
190.05110	1.1
192.06725	0.4
197.07210	0.3
197.10988	0.2
198.05663	0.2
199.08765	0.4
200.10905	0.2
201.10370	3.0
202.12389	0.2
203.05748	0.2
210.07733	0.3
211.08769	0.6
211.12534	0.2
212.09346	0.2
213.06667	0.2
213.10347	1.8
214.07397	0.1
215.08380	0.3
215.11940	0.5
217.13499	0.2
221.06799	0.7
221.10799	0.4
223.08867	0.7
223.12352	0.3
224.09396	0.2
225.06709	0.2
225.10289	0.7
226.10921	0.2
227.08292	0.3
227.11884	1.8
228.10323	0.2
228.12357	0.2
229.09837	3.5
229.13403	1.6
230.10123	0.2
235.08879	0.7
236.09421	0.3
237.10318	1.3
238.08746	0.2
238.10939	0.2
239.08229	0.3
239.11913	2.0
240.08804	0.2
241.09843	1.2
241.13417	0.1
242.10550	0.2
243.11342	1.0
245.13046	0.4
247.08667	0.4
247.10907	0.5
248.09491	0.2
249.06876	0.2
249.10307	0.9
250.07515	0.3
250.10995	0.2
251.08246	0.7
251.11873	0.9
252.09065	0.3
252.12576	0.2
253.09813	0.9
253.13443	0.3
254.10562	0.3
255.07587	0.2
255.08389	0.2
255.11392	3.8
257.12946	1.0
261.10236	0.4
262.07498	0.3
263.08203	1.2
263.11810	0.6
264.09094	0.7
265.09766	2.1
265.12885	0.2
266.10510	0.2
267.07886	0.4
267.11380	1.7
269.09479	0.2
269.13000	0.6
270.10123	0.2
271.02530	0.2
271.10809	0.4
273.09634	0.2
273.12479	1.4
275.08237	0.6
275.11624	0.2
276.09058	0.6
277.09824	1.6
278.10507	0.7
279.08282	0.2
279.11404	1.9
280.08582	0.1
280.11996	0.3
281.09286	0.9
281.12924	0.5
282.09976	0.2
283.10852	1.3
284.11475	0.1
285.12497	0.7
287.10599	0.3
288.11978	0.2
289.09537	0.2
289.12305	0.3
290.10251	0.3
291.08078	0.3
291.11383	1.5
293.09561	0.2
293.13046	0.4
295.10886	0.8
297.12503	1.0
299.10532	0.4
300.02618	0.2
301.03107	0.2
301.11911	4.3
302.12830	0.2
303.10843	0.2
304.11609	0.2
304.14719	0.2
305.12784	0.2
307.10950	0.3
309.09204	0.2
309.12479	0.6
311.10480	0.4
312.11633	0.2
313.12991	0.3
314.09360	0.3
314.13153	0.4
315.13922	0.2
316.11014	0.3
316.14609	0.2
317.11951	0.5
318.12497	0.2
318.16068	0.1
319.13046	6.2
320.13629	0.5
323.10345	0.3
324.11392	0.2
325.11948	0.8
326.12939	0.6
327.10376	0.6
327.13431	0.8
328.10861	0.9
328.14572	0.7
329.11658	1.0
330.12521	0.8
330.16071	0.4
331.13452	0.4
332.10260	0.2
332.14020	0.6
338.13193	0.3
339.10025	0.4
339.13995	0.2
340.11011	0.4
340.14291	0.3
341.11630	0.5
342.08902	0.3
342.12509	1.4
342.16254	0.4
343.13348	0.8
344.10397	0.8
344.14127	1.4
344.17596	0.2
346.11905	0.4
346.15683	0.4
347.12869	0.1
348.17203	0.3
350.15109	0.6
352.10776	0.4
352.14655	0.2
353.11731	0.4
354.12436	0.8
354.16364	0.3
355.13391	0.5
356.10294	0.8
356.14133	1.4
357.11264	0.6
357.14853	0.4
358.11884	1.2
358.15649	0.7
359.12610	1.1
359.16406	0.2
360.13388	0.7
360.17032	0.3
361.14090	0.2
362.15121	0.3
366.12375	0.3
367.13449	0.3
368.10382	0.3
368.14169	0.6
369.11127	0.5
369.14816	0.4
370.11630	1.3
370.16034	0.7
370.19370	0.2
371.12531	1.1
372.09753	0.3
372.13559	2.6
372.17355	0.3
373.14264	0.7
374.10391	0.2
374.15100	4.1
374.19632	0.3
375.15662	0.3
376.16745	0.2
380.14453	0.2
382.11835	0.4
382.15701	0.5
383.12637	0.5
384.13147	1.0
384.17761	0.9
385.11490	0.1
385.14453	1.1
386.11218	0.5
386.15390	1.7
387.11710	0.3
387.15839	0.5
388.12454	0.3
388.17139	0.7
390.14502	0.9
391.15298	0.6
392.16119	1.3
396.13324	0.4
396.17639	0.3
397.18262	0.3
398.11179	0.4
398.15369	1.1
399.11731	0.2
399.15930	0.2
399.20090	0.2
400.12100	1.2
400.17566	1.2
401.13455	0.4
402.14371	0.5
402.18713	0.3
403.15240	0.6
404.16248	1.1
405.17084	0.2
406.18472	0.8
410.15085	0.5
412.13013	0.5
413.13699	0.5
414.14349	0.4
414.18961	0.3
415.15012	0.3
416.16141	2.5
416.20911	0.2
417.12955	0.4
417.17511	0.2
418.14038	1.4
418.18082	1.0
419.18835	0.2
420.15952	0.2
421.16904	0.2
424.16833	0.2
425.17590	0.3
426.14594	0.2
428.16171	1.1
429.16833	0.3
430.13187	0.7
431.14642	0.8
432.14667	1.7
432.20041	0.6
433.16449	0.4
434.17279	1.3
435.18289	0.5
436.14725	0.2
442.18073	0.9
443.19104	0.7
444.15375	1.2
445.16293	0.3
446.17227	3.0
447.17853	0.5
451.17841	0.2
457.22437	0.2
458.17282	0.8
460.18814	1.2
461.19949	0.3
463.17838	0.4
464.18976	0.2
465.19159	0.5
466.20773	0.2
468.15793	0.2
469.22739	0.3
472.14716	0.7
473.15894	0.2
476.18784	0.5
477.19461	0.5
478.15677	0.5
478.21536	0.7
479.21207	0.3
481.22586	0.2
483.20456	0.4
486.16541	0.8
490.15903	0.2
491.20691	0.5
492.21942	0.2
493.22757	1.6
494.23090	0.3
495.20279	0.3
496.21237	0.5
497.22208	0.9
498.22638	0.2
503.20673	0.2
504.17496	0.8
505.18179	0.2
506.19812	0.2
507.20639	0.6
508.21268	0.2
509.22214	1.3
510.22998	1.0
511.23587	2.3
512.23871	0.4
513.21533	0.2
517.22137	0.5
519.20288	1.0
520.21014	0.5
521.22186	0.3
522.18884	0.2
523.23309	0.6
524.20935	0.5
525.21808	0.9
526.23370	0.2
527.22980	0.5
528.23169	0.4
529.24304	0.9
531.20227	0.2
533.21747	0.3
535.23444	1.6
536.20801	0.4
537.21387	3.5
538.22021	0.7
539.22827	0.3
543.26129	0.2
549.21118	0.4
551.23322	1.9
552.22766	0.4
553.24567	2.4
554.24860	0.4
555.22437	1.2
556.22937	0.2
561.21515	0.6
566.21582	0.2
567.22748	0.3
569.24701	0.7
571.25568	0.6
579.22571	7.0
580.23065	0.9
581.20374	0.2
597.23596	11.2
598.23901	1.7
615.24841	3.6
616.24725	0.3
623.21729	0.4
641.22693	9.4
642.22980	1.2
647.27325	0.4
659.23651	0.2
673.25336	1.4
674.26471	0.2
695.23145	0.3
737.24237	1.0
921.33099	0.2
939.35748	0.4
945.35388	0.2
963.35413	0.9
965.33185	0.4
981.35974	1.3
982.37109	0.2
983.34479	0.5
984.33868	0.2
995.38928	0.2
1007.34760	1.5
1008.34094	0.3
1015.36444	0.6
1025.35474	100.0
1026.35693	18.0
1033.36353	0.3
1039.36816	1.5
1040.35986	0.3
1057.38049	30.2
1058.38391	6.3
1065.38745	0.5
1069.37317	1.1
1101.39319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05064	0.9
82.02979	0.3
83.01404	1.0
85.02959	3.8
86.00092	0.5
87.00874	2.9
89.02455	3.9
92.05049	0.3
94.02962	0.5
94.06639	1.4
95.01396	0.7
96.96033	0.4
97.02947	0.4
97.94781	0.3
99.00887	0.7
101.02454	5.8
106.06648	1.3
108.04585	1.3
108.08182	1.4
110.02496	0.5
110.06135	1.1
111.04539	0.6
113.02467	5.1
115.00413	0.5
118.06651	0.8
119.03519	1.6
120.08225	1.5
122.06145	6.0
124.07712	1.3
125.02470	0.6
131.03537	2.6
132.04578	2.3
133.01460	0.4
134.06137	2.1
136.04053	0.9
136.07764	0.4
138.05612	0.9
140.07199	12.4
140.08299	0.6
143.03497	1.0
146.06136	0.9
147.03203	0.4
148.04095	0.5
150.05632	3.3
152.03535	0.9
152.07236	0.8
158.02493	0.8
159.03038	0.6
160.04070	2.4
161.04617	4.6
162.05643	5.6
163.06474	0.6
164.07143	1.0
166.05107	0.7
168.06656	1.3
174.05632	0.6
175.02550	0.6
176.03526	0.7
176.07156	0.5
178.05028	1.4
179.05621	0.9
183.09262	0.4
186.12872	1.3
189.04138	0.3
190.05135	2.9
192.06618	0.5
199.08739	0.7
201.10359	0.6
203.02065	0.3
210.09401	0.5
211.04996	0.5
211.08771	1.3
211.12395	0.8
212.05838	1.0
212.09213	0.4
212.10980	0.6
213.06700	1.2
213.10422	1.5
213.13988	0.3
215.11928	0.7
220.06151	0.9
221.06679	3.7
221.65932	0.3
223.08893	0.4
224.07401	0.4
224.09482	1.7
225.06549	0.8
225.10304	1.1
226.07442	1.3
226.11015	0.4
226.94643	0.3
227.08293	2.9
227.11832	2.8
228.08829	0.7
229.09958	1.6
229.13449	4.3
230.13885	0.5
237.06584	0.9
237.10356	1.3
238.07280	0.5
238.08907	0.3
238.10893	0.4
239.08159	1.8
239.11899	4.0
240.08932	1.0
241.06152	1.0
241.07281	0.4
241.09804	4.7
241.12241	0.4
241.13440	0.8
242.10440	0.6
249.06599	0.5
249.10255	0.6
250.07477	0.7
251.08266	1.3
251.12050	0.6
252.05374	0.6
252.09065	1.2
253.06165	2.8
253.09790	3.2
254.03287	0.9
254.06938	1.1
254.10535	1.0
255.07584	1.8
255.11375	4.4
256.08154	0.7
256.12119	0.7
257.09305	1.3
257.12799	1.9
259.14511	4.1
263.07986	0.8
265.06219	1.0
265.09802	4.1
266.07111	1.1
267.07745	4.3
267.11365	3.0
268.08301	2.0
268.12097	0.9
269.09357	1.2
269.12924	1.0
271.10748	1.0
272.08099	0.3
273.08972	0.7
273.12402	1.1
277.06259	0.4
277.09781	0.5
278.07111	1.5
279.07687	1.9
279.11319	0.9
280.08420	0.6
281.06122	0.7
281.09259	4.6
282.09955	1.1
283.10883	19.1
284.08304	0.4
284.11276	1.5
285.09445	0.4
285.12299	1.7
287.10452	0.9
287.13998	1.4
291.11362	0.6
293.09360	5.9
293.12558	0.3
294.06775	0.6
294.09857	2.3
295.07437	0.6
295.10834	1.7
296.07953	1.0
297.08789	1.3
297.12494	1.6
298.09341	0.4
299.10556	0.7
299.14023	0.6
301.11972	1.5
303.13510	26.2
304.13943	1.5
307.10797	0.4
309.08810	9.8
309.12280	0.7
310.09366	0.9
311.10471	3.1
311.13824	0.5
313.11926	1.0
314.09048	1.1
315.09814	1.2
315.13293	0.6
317.11728	0.6
317.15164	0.5
323.10278	1.7
325.11859	0.8
327.09946	2.4
327.13232	0.4
328.10822	0.4
329.11392	0.6
331.13138	0.4
334.12015	0.4
335.12396	1.7
341.11469	2.4
343.13010	2.7
345.14655	3.2
348.13651	0.4
355.09033	0.3
358.11829	0.4
359.12582	1.1
366.14368	0.4
368.19592	0.6
369.11447	0.7
370.11633	0.6
371.07947	0.4
371.12677	0.4
374.15103	0.4
384.12848	0.5
386.10977	0.4
387.11948	6.0
388.12317	0.7
389.13577	1.2
392.16574	0.4
394.17822	0.5
405.16745	0.5
412.18689	0.7
414.14191	0.4
416.15649	1.3
418.18130	0.4
430.18127	0.5
433.15936	0.4
438.16733	0.8
447.18259	0.4
450.16968	0.4
465.18719	1.3
479.20642	0.4
482.15665	0.6
496.17273	0.7
507.13062	0.5
507.19821	6.1
508.19974	0.6
509.21307	0.3
510.19061	0.4
521.21478	0.4
527.18494	0.4
535.23401	0.7
537.21466	0.8
553.24567	0.6
579.22424	1.7
597.23773	1.4
623.21783	1.0
627.24738	0.4
629.26703	1.5
641.22998	1.2
647.27313	1.6
655.24713	0.7
667.23822	1.2
669.25183	13.4
670.25897	1.7
673.25323	6.5
674.25769	1.1
721.24762	1.4
768.17413	0.4
913.56207	0.4
921.33441	0.4
963.35455	1.3
965.33453	0.5
981.36273	0.9
995.34442	1.5
997.36530	1.3
1007.34320	8.0
1008.34967	1.5
1015.37018	2.8
1021.35254	0.5
1025.35486	15.4
1026.35547	3.5
1039.37219	8.7
1040.37634	1.3
1057.38037	100.0
1058.38391	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	1099.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95931	0.4
80.05054	1.7
80.13708	0.4
83.01403	0.5
85.02953	2.7
87.00873	1.7
89.02440	1.5
90.72134	0.4
93.03474	0.5
94.06632	6.1
95.01410	0.6
96.96001	0.9
99.00896	0.8
101.02467	3.9
106.06643	11.4
108.04553	0.7
113.02466	2.5
115.00370	1.0
120.04581	0.6
121.05264	0.5
122.06161	3.5
124.07683	4.4
125.02471	0.5
126.14475	0.4
131.03506	1.3
132.04564	1.8
134.06158	3.4
136.07695	1.3
138.05659	0.8
146.06082	0.7
148.04005	0.5
150.05585	0.9
152.07184	0.7
158.06128	0.9
159.03114	0.5
160.04085	0.8
161.04581	1.5
162.05551	0.7
166.14391	0.4
168.06686	7.5
174.05602	0.5
175.02525	1.2
179.05701	0.5
180.06657	1.5
182.08180	0.6
186.05690	0.7
188.07251	0.9
190.05103	1.6
197.07208	0.4
197.10825	0.5
210.07756	0.7
211.08742	0.8
213.10243	2.0
221.06706	1.7
223.08755	0.9
224.09566	1.0
225.10312	1.2
227.11868	0.5
235.08746	1.9
236.09460	0.7
237.10252	2.0
239.11900	4.0
241.13457	1.6
247.08839	0.8
249.06715	0.6
249.10315	2.5
250.07257	0.9
250.11006	0.6
251.08217	3.0
251.11951	2.8
252.09018	1.1
253.09872	2.6
261.10233	0.7
262.07489	1.0
263.08191	3.4
263.11761	1.6
264.09076	1.9
265.09799	5.8
265.12897	0.8
266.10410	1.1
267.11407	8.2
268.11749	0.5
275.08215	1.6
275.11758	0.8
276.09180	2.0
277.09811	6.9
278.07013	1.4
278.10571	3.4
279.07755	3.6
279.11340	7.0
280.08405	0.8
280.11868	1.0
281.09320	1.0
283.10916	1.0
285.12427	4.4
289.09775	1.9
290.10510	1.2
291.07730	2.1
291.11356	4.5
292.08453	2.4
292.11807	0.8
293.09286	6.2
293.12915	2.9
294.09946	1.4
295.10849	3.8
296.11478	0.6
297.12430	0.8
303.11224	0.8
304.08575	0.6
305.09299	2.9
306.10056	1.7
307.10715	3.4
308.11136	0.5
309.08911	0.7
309.12469	0.9
311.10370	1.1
313.13428	0.5
314.13165	0.4
316.14502	1.2
319.10699	2.0
320.07904	0.7
320.11356	0.5
321.08789	2.0
321.12451	2.9
324.11237	0.9
325.12094	0.5
326.13187	0.5
327.13660	0.6
328.11005	0.9
328.14575	0.9
329.15369	0.4
333.08701	1.3
337.08191	1.0
337.11853	0.8
338.09128	0.4
338.13141	0.4
339.09872	2.7
340.10760	0.9
340.14526	6.1
341.15173	0.8
342.12497	1.4
342.16211	0.6
343.13144	0.6
344.13974	1.1
344.17798	0.5
347.10397	1.5
351.09937	2.1
354.12485	1.6
354.16367	0.5
355.13162	1.3
356.13983	2.4
356.17789	0.8
357.14877	2.0
358.15518	2.2
359.15817	0.6
365.11508	1.0
366.12299	1.0
367.13425	0.7
368.10168	1.0
368.14081	1.6
369.10727	0.9
369.15005	1.3
370.11661	0.7
370.15482	2.6
370.19608	0.7
371.16422	0.8
372.13297	0.5
372.17261	4.0
373.17642	0.6
382.11792	1.0
382.15897	2.4
383.12253	0.7
383.16553	0.7
384.12894	3.0
384.17938	2.7
385.13782	0.6
385.18286	0.9
386.14548	0.6
386.18716	1.5
390.18436	0.9
394.15707	0.5
396.13074	0.9
396.17331	1.2
397.14224	1.5
397.18607	0.7
398.14734	4.0
399.15659	0.9
400.16666	3.1
410.14975	0.9
412.16644	6.1
413.17288	1.8
414.18341	6.7
415.19043	2.2
416.16077	1.2
424.16705	0.6
425.14481	1.1
426.14081	0.9
429.16965	0.7
430.17767	1.7
432.19147	1.3
438.14590	0.5
440.16168	19.6
441.16608	4.9
442.17599	0.9
444.15390	0.8
457.16428	1.0
458.17209	44.4
459.17477	7.2
460.19006	0.5
472.18753	0.7
476.18188	9.7
484.14761	0.5
491.20486	0.9
493.22327	0.5
495.24225	0.9
502.16061	6.5
503.15451	0.6
503.21637	0.7
516.17444	0.5
517.22461	1.1
519.24097	2.1
521.22046	1.3
537.25159	0.5
545.21881	3.1
546.22046	0.8
563.23083	6.2
564.23059	1.0
567.22821	0.8
581.24323	1.5
595.25543	1.8
607.22247	7.0
608.22528	1.3
613.26715	1.8
639.24786	8.3
640.25061	2.1
721.20728	2.1
737.24512	0.5
739.22198	0.5
753.23999	0.5
869.28625	1.7
886.29022	12.2
887.30151	1.8
900.30902	1.0
918.32190	2.3
919.30609	0.5
932.33820	4.1
933.33228	1.2
947.36292	3.6
948.35504	1.2
979.38367	0.6
981.35950	0.6
991.34991	28.0
992.35480	8.1
1005.36572	0.7
1013.38324	0.6
1023.37506	100.0
1024.37830	27.5
1055.39917	40.8
1056.40247	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	1097.6822
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	5.6
78.98604	1.4
79.95744	3.0
80.96523	16.9
81.03440	0.2
81.95347	0.2
82.96127	0.4
85.02947	0.7
87.00888	0.7
90.32465	0.2
91.68186	0.1
93.40388	0.1
94.98100	4.2
96.96056	0.2
96.96983	0.1
97.02966	0.4
101.02452	0.7
106.98121	0.8
107.24550	0.1
122.97592	1.6
125.02461	1.0
125.25919	0.2
127.04024	0.2
134.97606	1.4
135.46996	0.1
136.99156	0.3
148.99159	1.7
149.99477	0.2
152.98633	2.1
152.99643	1.2
154.51395	0.2
164.98654	3.5
165.98994	0.4
167.00258	0.2
168.04355	1.4
182.99692	0.5
188.98592	0.2
189.98837	0.1
206.99709	1.1
208.00156	0.2
224.06906	1.0
225.00749	7.1
226.01088	1.2
227.00294	0.2
242.07997	2.8
243.01692	0.8
243.08310	0.2
261.22174	0.2
277.21738	0.7
278.22141	0.2
279.23285	100.0
280.23639	8.6
280.26077	0.2
299.04495	1.2
300.04779	0.4
504.30927	84.6
505.31274	10.3
519.27008	0.8
577.26917	27.0
578.27148	28.8
578.34894	3.3
579.27094	5.3
579.35187	0.5
635.87061	0.2
753.84790	0.1
778.39771	0.1
779.67889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95907	1.7
78.98592	2.6
79.95267	0.3
79.95739	5.4
80.96520	31.4
81.03466	0.3
85.02946	0.9
87.00888	1.3
91.39102	0.1
94.98093	8.6
96.96018	0.6
97.02963	0.7
99.00916	0.3
101.02455	1.3
106.98104	1.2
113.02453	0.2
115.24545	0.2
121.02963	0.2
122.96745	0.2
122.97600	3.4
125.02464	2.3
127.04019	0.5
133.45573	0.2
134.96614	0.3
134.97592	2.8
135.04593	0.2
136.99178	0.7
138.97046	0.2
148.99153	3.9
152.98633	3.7
152.99603	0.2
164.98636	7.0
168.04323	0.4
182.99698	1.1
187.78859	0.2
188.98680	0.4
193.05093	0.3
206.99644	1.8
224.06784	0.2
225.00737	14.7
226.01013	0.3
242.08061	0.4
243.01793	1.2
255.89278	0.2
271.88953	0.2
277.21713	1.5
279.23273	20.8
299.04376	2.8
476.27838	0.6
504.30911	16.0
577.26892	100.0
578.27130	10.5
578.34711	0.7
740.41077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.2
83.01394	8.0
85.02955	4.0
85.03442	0.3
87.00881	0.8
89.02454	5.4
95.01396	1.3
97.02959	0.6
99.00902	0.6
101.02455	22.4
102.02807	0.5
107.01414	0.6
108.02221	0.3
109.02973	0.2
111.00903	0.2
113.02465	10.7
114.02814	0.4
119.03519	3.7
123.04540	0.2
123.08195	0.7
125.02454	1.2
125.09748	0.3
131.03529	2.1
135.00922	0.2
135.08174	0.5
143.03516	3.1
145.02977	0.5
147.00876	0.2
147.03059	0.2
147.04646	0.2
147.08176	1.0
148.01692	0.2
149.04581	4.9
149.09705	0.2
151.00388	2.2
151.22157	0.1
153.08020	0.3
153.09230	5.6
154.09587	0.3
155.03520	0.7
155.05003	0.2
159.04558	0.3
161.04578	8.6
162.04901	0.2
163.00429	0.5
163.11292	0.3
164.01199	0.2
165.09203	0.5
167.05074	0.3
169.01543	0.1
171.04552	0.3
171.08144	0.2
175.11285	0.2
177.05586	0.2
177.12816	0.3
178.99905	0.3
179.05589	0.8
179.10822	0.2
183.04501	0.7
183.55371	0.2
187.04012	0.4
187.11301	1.6
189.01845	0.2
189.09244	0.5
190.10007	0.3
192.00647	0.2
199.03990	2.0
200.04805	0.3
201.01901	0.4
202.02841	0.1
203.03639	0.2
203.05591	1.6
203.10828	0.4
204.04236	0.4
205.12337	9.4
206.12701	0.6
211.03999	0.3
213.01987	0.2
215.03464	1.0
216.04341	0.3
221.06668	4.0
223.13393	1.6
226.02721	0.5
227.03516	3.2
228.04124	0.4
242.02228	1.9
243.02971	16.3
244.03549	1.9
254.02289	0.9
255.02969	11.2
256.03543	0.8
257.04538	2.1
259.06036	0.6
270.01666	2.7
271.02457	30.6
272.03006	3.9
273.03552	0.3
284.03253	0.2
285.04037	4.3
286.04755	1.3
287.05563	1.2
299.01978	26.7
300.02728	25.7
301.03128	1.8
313.03430	0.4
314.04324	30.0
315.05078	61.5
316.05447	4.3
342.03528	0.2
345.13327	0.2
355.08191	0.4
357.06134	0.7
367.17627	12.3
368.18079	1.0
385.18658	8.6
386.19171	1.0
427.19724	56.8
428.20108	6.7
519.31738	0.2
579.33173	0.2
593.15063	0.3
606.22174	0.3
623.16272	100.0
624.16541	15.5
924.90216	0.2
979.45093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.4
85.02956	0.2
91.01942	0.1
93.03457	0.2
95.01385	0.2
101.02443	0.2
105.60878	0.1
107.01394	1.0
108.02232	0.1
113.02487	0.1
120.02164	0.1
121.95281	0.1
132.02144	0.7
133.01517	0.1
135.00905	0.5
138.03458	0.1
151.00397	2.5
152.01152	0.3
159.04509	0.1
163.00432	0.7
163.01587	0.1
163.04033	0.2
164.01181	0.5
165.02039	0.1
165.24211	0.1
167.05017	0.2
169.01483	0.5
171.04547	0.2
173.06102	0.2
178.99890	1.4
183.04483	0.6
186.03171	0.1
187.04010	0.3
190.99893	0.2
195.04591	0.2
196.05135	0.2
197.06033	0.2
199.03999	0.3
200.04796	0.3
209.00934	0.2
211.04034	1.2
213.01959	0.1
213.05571	0.3
217.04980	0.1
227.03508	25.7
228.03873	1.7
229.04996	1.2
239.03465	0.7
239.05682	0.3
240.04141	0.3
241.04964	0.3
255.02980	54.7
256.03540	5.6
257.04504	1.2
271.02371	0.1
281.04529	0.3
283.02475	1.6
284.03259	80.9
285.03900	13.8
286.04300	0.8
299.05621	0.1
300.02759	0.1
309.04041	0.4
326.04346	0.4
327.05170	1.0
339.05096	0.3
351.05212	0.1
393.06091	0.2
575.13977	0.6
593.15320	0.2
739.21069	100.0
740.21393	14.5
755.20361	0.3
1077.15784	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05066	0.8
82.02979	0.5
83.01402	0.9
85.02964	3.4
86.00101	0.4
87.00874	2.4
89.02507	1.6
89.02962	0.4
89.90739	0.3
94.02995	10.2
94.06644	0.7
95.01412	0.8
96.04545	1.0
99.00874	0.8
101.02456	5.2
104.05097	0.5
106.06634	4.5
108.04578	1.8
108.08207	32.3
109.08555	0.9
110.06107	0.3
113.02457	3.6
115.00402	0.6
118.06609	0.3
119.03530	1.1
120.08216	5.0
122.06144	1.3
122.56059	0.3
124.07738	0.4
129.02002	0.3
129.48495	0.3
130.06630	0.4
131.03496	2.0
132.04575	2.7
134.06158	1.1
135.04587	0.3
136.04071	1.7
136.07700	1.0
138.05623	3.2
143.03545	0.5
146.06122	0.8
148.07701	1.1
150.05623	1.2
150.09247	1.5
152.07195	17.8
153.07570	0.4
158.02461	0.7
160.04004	0.8
161.04556	2.6
162.05626	0.3
164.07185	1.2
166.08739	0.9
172.07652	0.3
174.05634	1.0
174.09166	0.4
175.02548	0.4
176.07153	0.4
179.05554	0.5
180.06679	0.4
190.05086	3.0
194.08391	0.5
203.05673	0.3
207.09254	0.5
211.06204	0.4
211.08423	0.3
211.12424	0.4
213.10350	1.0
215.11871	0.7
217.13522	0.5
221.06625	1.8
221.10817	2.3
223.08812	2.7
223.12378	0.6
224.09480	0.9
225.10307	0.9
227.12059	0.5
229.13535	0.5
233.10919	0.7
235.08833	2.1
235.12459	1.2
236.09479	2.0
237.10323	4.3
238.11072	1.4
239.11911	2.7
241.09837	1.1
241.13417	0.5
243.11389	1.2
247.08752	1.0
248.09470	1.8
249.06665	2.5
249.10339	5.0
250.07455	0.9
250.11066	1.4
251.08241	2.2
251.11896	4.0
252.12482	0.4
253.09810	0.8
253.13416	1.2
257.12976	0.5
261.10272	1.8
262.07495	2.9
262.11053	1.7
263.08252	13.3
263.11823	3.2
264.08972	6.8
264.12460	1.1
265.09793	5.3
265.13153	0.7
266.10193	0.4
267.11349	1.1
268.08542	1.4
269.12924	0.9
271.10907	0.7
273.10236	0.4
274.11142	0.6
275.08258	2.0
275.11386	0.5
276.09061	6.6
277.09818	16.0
278.10568	4.7
279.11377	9.8
280.11963	2.4
281.09650	0.5
281.12915	1.5
283.10712	0.4
285.12372	1.6
289.09772	1.8
289.13528	1.0
290.10669	2.6
291.11404	14.1
292.12051	4.7
293.09665	0.4
293.12738	1.4
295.10834	1.0
297.12408	0.4
301.12308	0.6
303.13477	0.3
304.08594	0.6
305.09354	4.5
305.12604	0.6
306.10126	0.6
307.10818	0.6
309.12277	0.4
309.88544	0.3
311.14038	1.3
312.11353	0.3
313.11978	0.4
314.12973	1.0
316.14548	2.4
317.09338	1.2
318.10095	1.3
319.10562	0.8
322.09625	0.4
323.10370	1.2
324.11172	1.8
328.14499	1.9
329.15134	0.5
330.16165	0.4
334.15628	0.4
337.11942	2.0
341.15350	0.6
342.16272	1.0
343.16949	1.0
344.17560	1.6
355.13095	0.9
356.13846	1.0
356.17679	1.0
358.15506	1.8
358.19330	2.8
359.16086	0.4
359.20056	0.5
360.13507	1.1
360.20911	0.5
368.14038	0.7
369.14737	0.6
370.15564	4.8
370.19354	1.2
371.16254	2.1
371.20331	0.5
372.17285	3.0
373.13849	0.5
374.14951	0.7
375.15842	0.6
376.16742	1.0
382.19443	1.1
383.16104	0.6
383.20395	0.7
384.17300	4.7
385.18079	2.0
386.15485	0.6
386.18973	3.8
388.16241	0.8
398.18884	6.4
399.19534	7.2
400.20441	4.9
401.20993	2.9
402.14319	1.0
402.18466	0.7
404.20001	0.9
412.16699	2.1
413.17432	0.6
414.14444	1.1
414.18448	1.2
416.16107	0.4
418.17532	0.4
426.18274	10.2
427.19012	60.1
428.19592	9.6
430.17645	1.2
431.18494	1.3
433.20297	0.5
442.17871	0.9
443.18384	1.2
444.19449	3.9
445.20090	14.2
446.20734	4.8
448.19073	0.6
451.21643	0.3
455.24411	0.4
458.20764	0.7
459.18048	0.9
470.17068	3.2
471.17978	4.5
472.18552	0.8
479.24374	0.7
481.22299	1.7
485.81921	0.4
495.23920	1.3
497.25790	0.4
505.22797	0.5
521.21130	0.4
522.22748	1.0
523.23456	12.6
524.23822	1.8
537.25220	0.7
541.24554	1.3
547.23370	1.0
565.24670	6.9
566.24774	1.0
567.22589	2.7
573.26587	0.4
583.25629	5.5
584.26337	0.4
591.23297	0.6
599.25061	1.1
601.26703	2.1
602.26959	0.3
609.23663	2.3
610.24066	0.5
627.24744	8.6
628.25037	1.2
659.27417	1.3
810.30829	0.7
842.31970	0.4
854.30859	2.3
855.31683	1.6
881.34814	0.4
886.32758	3.6
887.33002	0.5
907.35883	0.4
951.35510	15.8
952.36066	3.4
967.37634	1.2
968.37238	0.5
983.38123	21.2
984.38275	4.0
993.36536	15.8
994.36456	2.9
1001.38470	1.1
1011.37543	100.0
1012.37823	20.9
1025.39197	13.2
1026.39197	2.6
1032.63318	0.4
1043.40137	49.8
1044.40222	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	1085.6067
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	77.6
96.96976	5.9
105.43493	0.1
120.01278	0.5
150.98033	2.0
152.99605	100.0
153.99915	1.3
171.00674	2.6
210.36403	0.2
261.27509	0.2
277.21707	1.3
374.38327	0.2
401.21985	0.2
431.22034	63.5
432.22366	6.4
462.80481	0.2
671.75275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	0.3
77.95554	0.2
80.05054	0.2
82.03002	0.3
82.06626	0.4
83.01392	1.5
83.05053	0.2
84.04560	0.3
85.02957	6.4
86.00113	0.7
87.00880	4.3
87.52169	0.2
89.02456	6.2
92.05087	0.2
94.03011	0.4
94.06632	0.3
95.01398	1.5
97.02964	0.6
98.20750	0.4
99.00887	1.8
101.02454	10.9
102.02789	0.2
106.06638	0.9
107.03798	0.4
108.04574	2.4
110.06139	2.4
111.00890	0.2
112.07701	0.7
113.02464	7.4
115.00378	0.3
116.07216	0.3
118.06650	2.4
119.03527	2.5
120.08206	2.1
121.05293	0.2
122.06134	6.0
122.07025	0.3
123.06496	0.4
123.61887	0.2
124.04133	0.3
124.07703	0.4
125.02467	0.9
129.01974	0.3
130.06601	0.2
131.03523	4.7
132.04628	0.3
134.06129	1.8
136.04056	0.3
136.07698	0.6
138.05632	0.6
139.06451	0.3
140.07195	27.2
141.07527	0.9
143.03529	1.2
144.04591	0.7
146.06117	0.7
148.04076	0.2
149.04684	0.4
150.05620	1.2
152.07172	0.4
156.08130	0.4
159.03043	1.2
160.04076	0.5
161.04591	7.5
162.05637	7.7
163.06390	1.5
164.07175	1.4
166.05132	0.4
168.06668	0.5
172.04094	0.8
173.04782	0.3
174.05597	1.0
175.02635	0.3
176.07222	0.7
178.05128	2.6
179.05656	1.9
184.11264	0.3
186.12888	1.9
188.03531	0.3
188.07196	0.4
190.05150	0.5
192.06734	0.3
194.04631	0.8
196.07738	0.4
197.07251	0.3
197.10825	0.2
198.07953	0.3
202.08862	0.3
204.06636	1.0
210.07857	0.6
211.05318	0.3
211.08621	1.2
211.12444	0.2
212.05882	1.8
212.09467	0.7
213.06436	0.3
213.10414	1.0
214.12613	0.2
216.13998	0.2
221.06680	5.7
222.07552	0.2
223.08704	0.6
224.05934	0.2
224.09238	1.3
225.06699	1.5
225.10210	1.2
226.07468	0.6
227.08208	0.4
227.11836	1.9
229.13477	2.4
235.08791	0.2
236.09557	0.5
237.06381	0.4
237.08170	0.5
237.10068	1.5
238.07214	1.6
239.08235	3.9
239.11781	1.5
240.08934	1.1
241.09798	1.3
241.13454	0.5
242.10579	1.2
243.11461	0.3
245.30495	0.2
249.10307	0.4
250.07417	0.2
251.04515	1.0
251.08200	2.3
251.11885	1.2
252.09094	2.5
252.12743	0.5
253.06198	3.7
253.09825	6.2
253.13425	0.6
254.10439	0.6
255.11292	1.2
257.12976	2.2
258.13419	0.4
259.14499	7.5
260.14844	0.3
262.07486	0.5
263.08054	0.6
264.08878	0.4
265.06216	2.0
265.09656	1.2
266.06946	3.7
266.10086	0.3
267.07730	4.4
267.11386	4.8
268.08557	1.6
268.11981	1.7
269.05652	0.3
269.09161	0.3
269.12930	1.1
271.10840	0.4
277.09845	1.2
278.10629	0.3
279.07779	4.9
279.11301	0.9
280.08505	12.8
281.09286	7.9
282.09900	1.1
283.10922	1.2
284.07980	0.7
284.12735	0.4
285.09250	0.4
285.12485	1.0
293.09341	1.1
294.10052	1.1
295.10876	33.6
296.11523	6.4
297.09070	0.4
297.12387	5.2
297.15793	0.3
298.09552	1.4
298.12491	0.4
299.10358	0.9
299.13812	0.4
300.11075	0.6
301.11948	1.3
302.12311	0.2
303.13501	47.8
304.13803	3.5
311.10251	1.4
312.07800	0.3
312.11163	0.5
313.12024	1.3
317.15131	1.0
321.08801	1.9
322.09531	1.5
323.10245	1.0
324.11154	0.3
325.11829	0.3
327.10165	0.3
327.13510	5.9
328.10648	0.7
328.14075	0.6
329.15186	0.2
339.09866	8.2
340.10257	1.0
341.11340	0.9
343.13199	0.4
345.14569	5.6
346.15244	0.5
351.11862	0.2
353.11520	0.3
362.15137	0.5
364.12918	0.4
371.12427	4.0
372.12988	0.5
373.13998	0.3
374.11023	0.3
376.16959	0.3
378.14676	0.4
388.12711	0.5
390.14288	1.3
392.12372	0.4
402.14594	0.6
403.15244	0.3
404.16211	1.8
405.16656	0.7
406.13770	1.2
407.14853	0.8
416.16159	0.6
417.16904	0.2
418.18048	0.3
420.15497	1.4
421.16190	0.2
430.14166	0.4
432.15469	0.5
434.17590	3.2
435.17773	0.8
436.18805	0.6
440.15955	0.3
444.15726	0.3
447.17914	0.4
448.15256	0.4
460.15131	0.5
461.15881	0.9
462.16632	0.5
464.14859	0.2
465.18744	1.8
478.16202	0.6
479.16888	0.4
480.17950	0.3
505.17776	0.2
507.19836	10.8
508.20016	1.1
511.18832	0.2
522.06885	0.2
537.25092	0.4
555.25677	0.3
563.23114	0.4
581.24164	2.4
582.24573	0.4
583.21863	0.3
599.25159	1.4
609.23285	0.4
613.26910	0.4
625.23218	3.7
626.24109	0.4
627.24121	0.6
631.27856	0.3
643.24500	0.4
649.35571	0.3
651.23859	0.3
657.25702	2.2
658.25647	0.3
667.23999	1.9
668.24829	0.5
669.25183	22.2
670.25543	2.8
705.21808	0.3
738.24762	0.3
847.30920	0.8
886.29443	0.7
918.32104	0.7
947.36035	0.5
965.36865	6.1
966.37036	1.6
967.34875	1.0
991.35095	1.1
992.35229	0.3
997.35596	0.4
999.37183	0.4
1009.35980	100.0
1010.36298	27.0
1023.38263	0.3
1041.38586	22.7
1042.38843	6.5
1067.55640	0.5
1085.58142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	1.0
85.02959	4.6
86.00078	0.6
87.00888	3.3
89.02439	3.5
94.06631	4.0
95.01392	1.9
97.02943	0.7
99.00906	1.7
101.02444	6.5
106.06641	27.6
107.06993	1.3
108.00922	2.0
108.04561	0.8
108.08201	1.3
110.02485	1.1
110.06100	0.6
113.02470	4.5
115.00403	0.9
118.06638	1.1
119.03515	1.2
120.04548	1.1
120.08215	0.7
122.06135	5.7
123.00894	1.1
124.07701	6.0
125.02452	1.0
130.06567	0.8
131.03525	2.9
132.04558	1.6
134.06140	6.3
134.09769	0.8
136.00398	0.6
136.04039	1.2
136.07648	1.1
137.02504	0.7
138.01964	0.8
138.05644	0.8
143.03539	1.1
144.04555	1.6
145.05363	2.7
145.07747	0.6
146.02507	0.9
146.06157	3.6
147.03322	0.9
147.04459	0.6
148.04045	1.4
148.07713	2.9
150.05627	14.6
152.07069	0.8
156.08174	0.7
157.05351	0.8
158.06096	3.3
158.09732	1.1
159.03127	0.8
160.02885	0.6
160.04080	3.3
160.07706	6.9
161.04654	5.0
162.02010	1.1
162.05624	5.8
164.07159	1.6
164.10771	1.1
165.00621	0.6
168.06709	0.8
170.06097	0.8
171.05611	0.9
172.04004	1.5
172.07669	2.5
173.04799	0.8
174.01944	0.9
174.05605	4.8
174.09227	1.2
175.02547	1.1
175.06363	1.0
176.03522	1.2
176.07190	4.5
176.10835	6.8
178.08723	1.2
179.05594	1.5
185.07224	0.8
186.05659	1.4
187.02692	1.0
187.05159	0.9
188.03575	1.4
188.05681	0.8
188.07179	5.1
189.06674	2.0
189.10437	0.7
190.05103	2.2
190.08749	1.2
191.11958	4.1
198.05591	1.4
199.05017	0.7
199.12508	0.8
200.03574	1.2
200.07245	4.3
201.04291	1.8
201.06721	1.7
201.10382	1.0
202.01434	2.0
202.05098	3.6
202.08722	1.7
203.08273	0.9
204.06761	2.9
211.04977	0.6
211.08646	0.6
212.05760	0.7
213.04466	1.0
213.06718	2.3
213.10190	0.6
213.13922	0.9
214.05292	0.8
215.04535	3.0
215.08258	1.2
215.11879	1.6
216.03148	1.1
216.06747	6.3
217.03867	0.9
217.07542	1.0
217.09821	2.0
218.08224	3.1
219.11391	1.6
221.06668	3.5
224.13033	0.6
225.06685	1.0
225.13942	1.4
226.05106	1.5
226.07378	1.5
227.08284	1.8
227.11885	1.2
228.06841	4.0
229.03792	1.7
229.06166	4.4
229.09763	0.7
229.13429	0.8
230.04613	18.6
230.06749	1.0
231.05179	1.5
231.07660	2.0
232.06247	0.8
232.88321	0.6
233.09267	0.7
234.07727	1.4
236.09500	0.8
237.10303	1.3
238.07393	0.6
238.10852	0.7
239.08321	1.1
239.11940	1.3
239.15552	4.4
240.08949	0.9
241.06154	2.1
241.09795	4.1
242.06775	0.8
243.04160	2.1
243.05481	0.7
243.07542	3.1
243.15053	1.2
244.06189	17.6
245.06895	8.7
246.07698	13.9
247.08034	0.9
249.10118	0.8
250.07544	0.7
251.08182	1.0
251.11884	0.7
253.06073	1.5
253.09811	2.5
253.13441	1.8
254.06935	1.7
254.10548	1.1
255.07744	1.9
255.11351	3.5
257.05658	7.9
257.12854	1.4
258.06308	2.5
259.07227	14.3
260.07809	1.8
260.84677	0.6
261.08752	9.5
263.08282	0.7
264.08908	0.8
265.06204	0.7
265.09827	1.4
266.06894	1.9
266.10062	0.9
267.07654	3.7
267.11435	2.8
268.04800	0.6
268.08441	1.5
269.09277	3.8
269.12909	1.7
271.07251	2.7
271.14612	0.8
273.08920	1.5
275.13971	1.2
277.09662	1.1
278.06976	0.7
279.07730	1.8
279.11276	1.2
280.08636	0.9
281.06332	0.7
281.09357	4.6
281.12103	0.7
282.10101	2.7
283.07568	1.0
283.10846	3.0
283.14127	0.7
285.08713	1.6
285.12387	0.9
286.09271	0.7
287.10367	1.7
287.13992	5.6
288.05136	13.5
290.06689	6.2
293.09348	1.7
293.16516	1.1
294.10034	1.5
295.10840	4.9
295.18161	1.5
296.07993	1.9
296.11133	0.7
297.08838	3.8
297.12442	14.4
298.12778	0.7
299.10303	1.6
301.04602	1.5
301.12051	0.7
303.06223	1.3
305.07687	3.8
308.07709	0.8
308.17676	2.2
309.08893	1.0
311.10464	3.0
313.08282	1.1
314.09088	1.0
315.09830	13.9
315.13477	0.9
316.10110	0.8
321.62921	0.6
323.10364	11.1
324.10941	0.9
327.09906	0.8
337.10461	0.9
339.17044	4.6
341.11487	1.4
349.08353	1.4
352.16745	1.3
354.18399	2.7
358.15549	1.1
359.08844	2.1
367.09515	2.6
370.15378	0.7
376.16516	0.8
381.18143	0.9
388.16580	1.1
399.12012	1.3
400.16681	1.1
402.18707	0.8
412.16733	0.7
416.16101	0.8
418.17664	2.8
428.16077	0.6
430.18018	0.6
434.17133	0.8
436.18628	0.8
439.15625	0.8
444.15891	0.6
471.18204	0.8
489.18576	0.7
501.22528	0.7
507.19562	0.7
519.24133	1.7
521.21704	0.8
537.25092	5.4
538.25208	0.7
543.23462	2.2
556.23486	1.3
563.22961	4.9
564.22461	0.6
581.24158	6.4
582.23523	0.9
599.25073	1.8
607.21979	2.0
613.26752	2.4
617.84613	0.6
625.23242	3.1
631.27765	1.2
639.25299	0.9
655.20923	0.6
657.25708	3.3
705.29224	7.2
706.29443	1.3
718.28552	1.5
720.29840	3.0
721.30603	0.8
839.19720	0.6
840.29108	1.2
841.28693	0.8
864.50385	0.7
879.33691	0.7
947.35559	3.6
948.35291	1.0
965.37177	30.6
966.37268	6.6
967.34802	2.0
981.38373	0.8
991.35284	4.4
997.39368	0.8
999.37231	1.7
1009.35992	100.0
1010.36139	22.7
1023.37183	1.8
1041.38599	50.7
1042.38660	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	1085.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05065	1.6
83.01394	0.7
85.02963	2.1
87.00890	1.8
89.02459	1.4
94.02991	0.9
94.06621	1.0
95.01449	0.4
97.02952	0.3
99.00880	0.3
101.02476	2.5
104.05074	0.4
106.06637	2.8
108.04559	1.4
108.08209	13.0
109.02943	0.4
109.08558	0.5
113.02489	1.9
115.00409	0.4
119.03550	0.3
120.08247	0.7
121.05363	0.5
122.02416	0.4
122.06146	2.6
124.04072	1.6
124.07701	0.4
131.03529	0.9
132.04572	3.5
132.44339	0.3
133.01456	0.6
134.06129	0.9
136.04059	2.7
137.34140	0.4
138.05605	1.3
144.04578	0.4
146.06149	0.4
147.05617	0.5
148.04073	0.7
148.07748	0.5
150.05635	1.6
150.09311	0.4
152.07195	4.5
159.02910	0.4
160.04065	0.6
161.04556	1.3
162.05562	0.5
166.05104	0.4
168.06660	1.8
174.05583	0.9
175.02510	1.0
176.07228	0.4
181.01433	1.2
189.06850	0.4
190.05101	1.1
192.06703	0.3
196.03786	1.4
201.10420	1.9
211.06134	2.3
211.08817	0.4
211.12303	0.4
213.10301	2.1
221.06766	0.6
223.08778	0.5
224.09406	0.4
225.10361	0.5
227.11925	1.1
229.09839	2.0
229.13431	1.2
229.54216	0.4
235.08723	0.7
237.10364	0.9
239.08176	0.5
239.11871	1.8
241.09808	1.3
243.11153	0.5
247.10802	0.4
249.10243	0.8
250.07512	0.6
251.08273	1.0
251.11981	0.6
253.09776	1.0
253.13440	0.7
255.11391	2.3
257.12930	0.8
262.07553	0.6
263.08133	1.2
264.08868	0.7
265.09802	1.9
267.07858	0.6
267.11426	1.0
269.09476	0.5
269.12888	0.8
271.10812	0.6
273.12408	0.7
275.08176	0.4
276.09003	1.2
277.09839	1.5
278.10565	0.9
279.11349	1.6
281.09238	1.0
281.12787	0.6
283.10855	2.0
285.12479	0.6
287.10959	0.4
291.11343	1.2
292.11899	0.4
293.09225	0.6
294.09927	0.4
295.07834	0.5
295.10898	1.9
295.13904	0.4
297.12662	0.7
300.11316	0.5
301.11844	4.2
302.12735	0.5
305.09308	0.5
309.12436	0.4
311.10693	0.5
311.14127	0.5
312.11279	0.4
314.12988	0.8
316.11142	0.4
319.13031	4.8
322.09705	0.4
323.10367	1.5
327.10135	0.4
328.10794	0.9
328.14270	0.7
329.12131	0.4
330.12561	0.6
337.11896	0.7
340.10666	0.8
341.11780	0.6
342.12421	0.9
342.16171	0.5
343.13187	0.8
344.10315	0.7
344.14035	1.3
345.14474	0.4
346.11957	0.6
354.12619	0.8
355.13232	0.9
356.10123	0.8
356.14014	1.3
358.12073	1.0
360.13464	0.7
368.10202	0.4
370.11774	1.7
370.15811	1.1
371.12674	0.9
372.09454	0.5
372.13492	1.8
372.17249	0.8
374.15073	4.1
382.11807	0.4
384.13431	0.7
384.17426	0.8
385.14264	0.5
386.15036	1.2
388.16650	0.4
390.14532	0.6
392.16153	1.3
398.15140	1.0
399.11807	0.7
400.12976	1.5
401.13766	0.5
403.15457	0.5
404.16241	0.6
412.12735	0.7
413.13742	0.5
414.14221	0.6
416.16116	1.8
417.17017	0.5
418.13876	1.0
418.18411	0.5
425.14249	0.5
426.18710	0.6
428.16122	0.8
430.13989	1.6
431.14801	1.6
432.15530	2.4
435.17560	0.4
441.17099	0.7
444.15552	1.4
446.17343	2.0
458.17297	0.6
459.18286	0.5
460.14801	0.5
465.19263	0.8
472.15149	1.9
473.15723	0.5
479.21094	0.8
480.21625	0.9
481.22113	0.7
495.24146	0.6
507.19983	0.4
508.21436	1.0
509.22031	0.5
511.23676	2.4
512.24341	0.7
513.25067	1.2
520.22290	0.5
521.22064	3.5
522.22485	0.8
523.23273	0.7
525.24805	0.7
535.23114	0.4
537.25397	2.0
538.22382	0.8
539.22900	4.9
540.23206	1.4
551.23004	1.1
553.24567	4.5
554.24902	0.7
555.26233	0.8
563.22955	2.6
564.23547	0.5
581.24115	27.1
582.24512	5.0
599.25055	3.8
600.25409	0.7
607.21912	1.1
625.23224	9.2
626.23572	1.2
657.25598	2.0
757.28601	0.4
847.31134	0.4
850.47040	0.4
886.31030	0.4
905.35138	0.4
947.36426	1.1
949.34357	0.8
965.36169	1.7
967.35510	0.7
991.35162	2.2
992.35968	1.0
999.36676	0.9
1009.36023	100.0
1010.36292	22.5
1010.57642	0.8
1023.38190	2.1
1024.36450	0.6
1041.38513	31.0
1042.38892	8.6
1053.37463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
77.68745	0.5
79.30966	0.4
83.01399	1.0
85.02954	2.6
85.06591	1.0
87.00878	2.4
89.02455	2.8
94.06645	0.6
95.01407	0.7
95.03746	0.4
95.05067	0.4
97.02968	0.4
99.00881	0.7
101.02454	5.2
106.06644	1.0
107.03805	0.7
108.04612	0.5
110.06175	0.7
113.02477	4.0
113.25658	0.4
115.00383	0.8
116.05085	0.5
118.06644	0.7
119.03538	1.2
120.08199	1.5
121.44981	0.5
122.06143	6.5
124.07679	2.6
130.06612	0.5
131.03549	2.3
134.06091	0.7
136.07655	0.7
144.04546	2.9
145.07750	2.2
146.06151	3.9
147.03262	0.5
148.04028	0.6
148.07614	0.5
150.05644	3.9
156.08197	1.1
158.06087	0.7
158.09811	2.0
159.03166	0.9
160.04031	1.0
160.07712	0.8
161.04617	3.8
162.05672	2.4
164.07175	1.2
168.06654	0.7
170.02425	0.6
171.03323	0.5
172.04066	2.8
174.05638	2.5
175.12537	0.8
176.07161	1.7
179.05711	0.8
185.10944	0.5
188.03552	0.5
188.07161	0.9
189.06696	6.4
190.05064	2.1
197.10828	0.5
198.04272	0.6
198.07814	0.5
199.08669	0.5
200.03502	1.1
201.10283	3.1
202.05098	1.6
204.06679	1.6
211.08771	1.3
212.10951	0.6
213.06596	0.6
213.10353	0.8
214.12425	1.7
216.03104	0.6
219.11357	2.4
221.06688	2.5
223.06747	0.5
223.08780	1.8
224.07304	0.6
224.09230	0.8
225.06705	1.3
225.10237	2.5
226.07448	1.9
226.10925	1.2
227.08157	1.0
227.11906	1.9
228.12529	0.4
229.13461	1.5
230.04654	0.7
231.07631	0.8
236.09576	1.4
237.06673	0.5
237.10350	1.5
238.07588	1.4
238.11075	1.4
239.08109	2.7
239.11827	1.0
240.09013	2.0
241.09750	2.2
241.13344	2.4
243.14967	1.4
246.07753	0.5
251.05890	0.7
251.08318	1.4
251.11929	3.0
252.09081	2.2
253.06134	1.0
253.09782	8.0
253.13417	3.6
254.06953	0.6
254.10471	1.5
254.11874	1.2
255.11401	4.9
256.12091	0.6
257.12955	2.8
258.11008	0.6
264.09027	1.3
265.06186	0.8
265.09827	0.6
266.06845	2.1
267.07709	6.2
267.11346	6.5
268.08533	1.0
268.12079	2.3
269.09323	1.6
269.12930	4.4
271.10846	0.7
275.14005	3.1
277.09854	1.1
279.07739	3.0
279.11356	4.1
280.08667	1.9
281.09344	7.1
281.12375	0.8
282.10062	8.4
283.10828	1.3
285.12512	2.1
286.12985	0.6
287.14005	3.9
290.06946	2.4
293.06296	0.5
293.09183	2.3
294.10095	5.0
295.07993	0.5
295.10886	11.8
296.11276	1.0
297.12445	38.5
298.12659	2.9
301.11703	1.4
305.09256	1.5
307.07312	0.8
308.07928	1.0
311.10220	0.9
314.09094	3.2
321.08841	1.5
323.10373	32.5
324.10718	2.7
326.12970	0.8
327.13489	0.6
329.15366	0.5
334.05942	0.5
340.13104	2.5
341.11414	2.8
342.11957	0.6
349.08258	3.9
352.20258	0.5
353.15005	1.5
355.13028	1.9
356.14151	0.8
367.09302	6.4
368.09628	0.6
373.14029	0.9
384.12555	0.7
387.12183	0.6
397.13910	0.6
399.11899	2.8
402.14621	0.7
411.15826	0.6
412.16467	1.2
416.16180	1.3
417.16351	0.5
437.23486	1.1
438.14899	0.6
439.15302	1.9
440.15741	0.9
444.19107	0.8
464.19284	0.7
465.19516	0.6
471.18106	1.5
479.20804	1.0
480.21463	0.6
481.22083	1.0
489.19461	1.0
493.25616	0.5
496.17294	0.6
506.19516	1.2
507.20572	1.5
519.23944	1.0
520.22729	0.6
521.21930	1.9
535.23724	2.2
536.23590	0.7
537.25104	10.1
538.25134	1.6
545.21625	0.7
548.20801	0.7
555.26227	1.0
563.22986	10.5
564.23053	1.9
581.24091	8.9
582.24579	1.0
595.25861	2.0
599.25140	2.8
600.26154	0.5
607.22107	4.6
608.22131	0.8
613.26978	2.6
625.23212	4.8
631.28351	0.9
639.24670	1.6
643.24829	0.6
657.16046	0.5
657.25952	4.2
667.23920	1.7
686.40741	0.5
743.30164	0.5
787.29114	1.0
803.32153	0.5
847.31165	1.5
947.36511	1.9
949.32953	0.7
965.37073	7.3
966.37244	1.8
967.35016	1.7
991.35474	3.7
992.35529	0.8
997.40344	4.3
998.40344	1.0
999.37030	1.1
1009.35986	100.0
1010.36316	25.6
1023.37500	0.9
1041.38525	29.0
1042.38757	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	1083.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05058	0.6
81.76546	0.5
83.01381	0.9
85.02952	2.8
87.00869	2.5
89.02469	1.9
94.06629	0.7
97.85775	0.5
99.00891	0.6
101.02462	4.1
106.06644	3.2
108.04572	1.6
113.02475	2.9
119.03500	0.7
122.06127	3.9
131.03566	1.7
132.04568	2.3
134.06148	0.8
136.07671	0.8
146.06128	0.7
148.04089	0.8
150.03169	0.6
150.05615	4.2
160.04063	6.2
161.04633	2.6
162.05598	1.6
174.05673	1.0
175.02562	1.5
188.03561	3.7
189.04141	0.7
190.05092	1.7
202.05008	0.6
204.03008	1.6
207.53836	0.5
211.08859	2.8
211.12457	1.0
212.07318	1.0
212.09171	0.6
213.06807	0.8
213.10335	3.3
215.11861	0.9
218.04614	2.1
221.06651	2.2
223.08789	0.8
224.07268	0.5
224.09470	1.5
225.06725	0.8
225.10335	1.4
226.07251	0.6
227.08246	1.4
227.11911	1.1
229.09729	0.9
237.10370	1.0
239.08255	2.9
239.11877	4.1
240.10320	1.1
241.09845	2.2
241.13414	1.0
242.10577	0.9
243.11343	3.3
245.09235	0.9
250.07452	0.6
251.08237	1.5
251.11752	0.6
253.06175	3.4
253.09792	1.9
254.06870	1.6
255.07751	1.9
255.11435	1.8
257.13000	1.4
265.06161	0.9
265.09802	2.8
266.07687	0.6
267.07745	2.2
267.11349	4.9
268.08624	1.1
269.09369	4.6
270.78854	0.5
277.09842	0.7
278.06833	0.5
279.07724	1.0
280.08163	0.5
281.05688	3.7
281.09268	3.1
282.10092	0.8
283.07532	0.7
283.10876	14.4
284.11328	0.9
285.12363	0.7
287.10239	0.9
292.08414	0.6
293.09323	2.2
294.06412	0.7
295.07242	1.9
295.10855	1.7
296.08051	2.4
296.11563	0.9
307.10901	1.1
309.08801	4.4
309.12302	1.1
311.10373	30.1
312.10574	1.7
321.08810	0.6
323.14066	1.0
327.09866	1.0
335.14145	0.8
337.08344	4.4
337.12097	1.0
353.15201	0.8
355.09439	5.0
387.11874	2.4
398.15445	0.6
410.14850	0.6
412.16815	0.9
459.89600	0.6
463.19479	0.7
464.20078	0.7
491.17694	0.9
493.22885	0.9
506.20563	1.3
520.21210	0.8
521.21747	1.4
523.23315	2.2
524.23401	0.8
531.19489	0.6
533.22107	1.0
535.23529	4.1
536.23004	1.4
537.21240	0.9
549.21545	2.7
553.24493	1.4
561.21411	1.7
579.22491	5.7
580.23303	0.9
597.23669	2.5
611.25537	1.2
623.21771	3.2
641.22382	0.8
655.24536	1.7
673.24872	0.6
963.35565	14.4
964.35901	4.3
965.32935	1.0
989.33301	2.4
1007.34485	100.0
1008.34668	24.0
1021.36603	0.9
1039.37000	21.8
1040.37366	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	1085.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05058	1.0
82.74168	0.7
83.01390	1.4
85.02962	5.7
87.00887	4.5
89.02467	4.2
94.06648	6.1
95.01405	1.4
96.95974	0.6
99.00881	1.8
101.02458	8.5
104.05080	1.0
106.06656	5.0
108.04592	0.7
113.02485	5.1
115.00361	0.9
119.03519	1.6
120.04649	0.7
120.08205	1.1
122.06151	8.8
124.07716	5.1
131.03535	3.2
134.06136	1.6
136.04161	0.8
136.07726	0.7
138.05653	1.2
143.03470	0.7
143.98720	0.6
146.06036	0.8
148.07709	1.0
150.05618	1.8
158.09831	0.7
160.04099	1.3
161.04605	4.8
162.05681	0.7
164.07179	0.6
168.06688	7.4
174.05545	0.7
175.02429	1.0
179.05623	1.3
180.06653	1.6
189.06721	1.3
190.05182	0.6
192.46161	0.6
201.10315	1.0
202.04784	0.8
204.06621	0.9
213.10336	0.7
219.11429	0.8
221.06660	4.1
223.08708	0.7
225.06577	0.7
225.10388	0.8
227.11833	1.3
228.61545	0.6
237.10327	1.2
238.11018	0.7
239.08195	1.5
239.11855	1.2
240.08891	0.8
241.09741	1.1
241.13376	0.7
251.08215	1.3
251.11722	0.8
252.09035	2.3
253.09811	7.9
253.12358	0.9
253.13445	0.9
254.10478	4.0
255.11351	5.3
257.12860	1.0
263.08084	1.0
264.09116	0.8
265.09839	7.5
266.10492	2.8
267.08148	1.2
267.11368	11.2
268.11942	2.4
269.12833	3.7
277.09793	0.9
278.07016	0.7
278.10306	1.0
279.07950	0.8
279.11276	1.4
281.09344	2.1
281.12903	1.3
283.10919	2.1
285.12399	2.0
287.14047	1.8
291.11423	1.5
293.09329	1.6
295.10907	2.6
297.12381	4.9
298.09686	5.6
300.11200	6.2
301.11887	1.4
305.12946	0.8
306.13760	0.8
307.14548	0.9
311.10385	1.3
317.12988	1.4
323.10416	7.6
324.10745	1.1
330.12512	0.8
331.14554	1.7
335.14124	0.7
342.12393	1.4
343.13293	0.9
344.13995	6.4
345.14792	2.0
346.15604	2.5
349.08221	0.8
355.13098	3.1
356.14029	2.3
358.15622	7.4
359.12186	1.2
359.16348	10.3
360.17108	8.8
361.17850	6.7
362.18793	0.8
367.09262	1.0
370.15662	1.4
371.16553	3.7
372.17233	1.3
373.17896	3.8
376.16684	1.9
388.16684	1.0
389.17480	16.4
390.18179	13.3
391.19220	3.6
392.19772	2.7
399.12045	1.8
400.16968	0.8
404.16281	0.8
405.17014	1.7
414.18359	0.8
415.19583	0.7
416.15787	1.0
417.16971	2.8
418.17700	1.6
433.16296	4.3
434.17062	3.6
435.17932	3.3
436.18637	2.0
441.16541	0.9
444.15714	0.7
461.15857	1.9
462.16452	1.0
479.16815	1.3
481.22412	1.8
511.23419	2.4
513.24725	0.8
521.21887	1.0
535.23761	0.9
537.24542	1.6
539.22833	1.2
563.22656	2.1
580.22552	0.8
581.23755	1.7
583.21948	2.6
601.22925	1.2
607.22339	1.0
613.27118	1.5
625.23041	2.0
631.27515	0.9
657.25690	1.7
695.23199	2.5
697.21332	0.7
801.29828	2.1
841.39655	0.7
843.32098	0.9
845.29126	10.8
846.29926	3.1
887.30023	3.3
888.30579	1.1
911.79144	0.7
923.36353	6.3
924.35645	1.3
925.34143	0.9
931.66052	0.6
941.37061	3.8
942.38544	0.8
948.36884	0.7
965.36957	6.0
966.36981	2.2
967.35052	100.0
968.35382	28.8
968.55585	1.2
991.34912	2.6
999.36707	1.4
1009.35907	43.1
1010.36279	13.6
1020.93054	0.8
1023.37592	0.9
1041.38354	34.7
1042.38916	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	108.0457
Annotation	4-Hydroxyaniline
Peak:m/z	Relative Intensity
50.00343	0.7
58.02964	1.3
65.01454	0.9
65.99888	0.9
66.03497	5.3
67.01879	1.2
67.03017	10.8
68.01392	1.0
68.47016	0.7
70.29198	3.6
76.79562	0.6
79.03026	2.0
80.05039	1.6
81.03456	2.6
82.02982	3.5
84.00309	0.6
91.01914	1.1
93.62099	0.7
97.89086	0.7
98.19959	1.1
102.51374	0.7
107.03790	4.0
108.02184	12.6
108.04568	100.0
109.02965	78.4
109.04112	9.1
109.04912	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	1081.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
80.39141	0.1
83.01413	0.2
85.02955	0.2
87.00873	0.2
89.02460	0.2
89.03944	0.2
91.01902	0.1
100.08084	0.1
101.02445	0.2
103.04060	0.1
107.01412	1.0
114.99638	0.1
115.00385	1.9
115.04018	0.1
115.05614	0.1
117.03498	0.6
119.01408	0.1
119.05030	0.1
124.01674	0.1
125.02462	0.3
131.05048	0.1
133.00432	0.2
133.01447	3.7
133.02979	0.2
134.03754	7.1
135.00897	0.3
135.04118	0.2
137.02423	0.2
143.03534	0.1
143.05032	0.2
145.02953	0.2
147.04553	0.1
149.02473	0.5
149.06099	0.6
151.00378	3.7
152.01019	0.1
155.05063	0.5
157.02946	0.1
158.58009	0.1
159.04500	0.5
160.01649	0.1
161.02460	0.8
163.00420	0.4
163.04012	0.1
163.06133	0.2
164.01180	2.5
165.01781	0.1
169.01460	0.1
171.04501	0.4
173.02498	0.2
175.04015	0.5
177.01926	0.3
178.02788	0.4
178.99902	0.5
179.03424	0.2
182.03680	0.2
183.04529	1.0
184.04739	0.1
185.02448	0.8
187.00386	0.5
187.03964	0.4
189.01982	0.5
191.03615	0.1
193.01385	0.3
193.05067	7.7
194.05385	0.4
198.03273	0.1
199.03999	1.8
200.04329	0.1
201.01945	5.8
202.02234	0.4
203.03520	3.5
204.03877	0.2
205.07149	0.1
211.03996	0.4
211.05887	0.1
213.01947	0.4
215.03539	0.5
217.01532	0.2
219.02896	0.1
227.03499	3.6
228.03796	0.2
229.01385	0.4
230.02164	0.3
231.02979	4.3
232.03410	0.3
243.02974	2.3
244.03375	0.2
253.01453	0.2
255.02971	3.0
256.03366	0.2
257.00845	0.3
271.02454	53.3
272.02792	4.1
281.00876	0.1
298.01166	0.4
299.01968	100.0
300.02310	8.2
300.05869	0.2
301.03394	0.6
309.06061	1.0
315.98849	0.1
316.02261	2.2
317.02847	0.3
327.08615	0.1
607.12799	0.2
755.20508	0.1
771.20197	10.3
772.20636	2.1
851.97858	0.1
898.45715	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	1081.344
Annotation	Unknow
Peak:m/z	Relative Intensity
75.98389	0.1
80.29231	0.1
81.88129	0.2
83.01391	0.5
91.01893	0.2
93.03463	0.2
101.02438	0.2
107.01405	1.3
108.02185	0.6
109.02983	0.7
119.01388	0.1
121.02967	1.0
125.02454	0.4
135.00897	0.3
143.04982	0.2
145.02997	0.2
148.01701	0.8
149.02397	0.2
151.00392	7.4
152.00739	0.2
153.01862	0.1
161.02454	0.1
163.00400	1.7
163.03987	0.2
164.01169	0.4
165.02014	0.2
169.01442	0.6
170.03732	0.2
178.99872	4.3
183.04591	0.2
187.04033	0.3
189.01772	0.2
190.99838	0.3
191.03563	0.1
192.00668	0.3
199.04015	0.4
201.01997	0.1
205.05096	0.1
211.03995	0.5
213.01878	0.1
215.03479	0.3
216.04312	0.4
221.06686	0.2
226.02737	0.7
227.03488	1.6
228.04082	0.3
229.05034	0.4
239.03622	0.2
243.02965	5.5
244.03564	0.5
245.04514	0.9
254.02197	1.4
255.02979	16.6
256.03311	1.3
257.04663	0.3
271.02466	35.2
272.02884	3.3
273.04001	0.6
283.02521	0.8
299.02103	0.8
300.02756	72.7
301.03467	29.6
302.03885	1.9
343.04565	0.6
355.08328	0.3
418.51489	0.2
427.19315	0.2
487.48618	0.1
608.13617	0.2
609.14752	100.0
610.15076	14.9
693.00171	0.1
741.59692	0.2
801.42822	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	1079.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
86.58886	0.1
87.00880	0.2
89.02448	0.7
89.03973	1.4
93.03462	0.3
106.04277	0.4
115.00387	21.0
116.00732	0.5
117.03480	3.7
118.76712	0.2
121.02966	2.3
121.54816	0.2
130.48897	0.2
132.02223	0.3
133.01454	43.9
134.03757	69.5
135.04053	2.1
137.02444	0.7
139.04022	0.3
147.04529	0.7
149.02464	12.2
149.06107	5.8
150.02815	0.4
150.06389	0.3
151.00331	0.8
152.01128	0.3
163.04037	0.3
164.04808	7.6
165.02031	0.2
165.05304	0.2
173.83365	0.1
178.02708	3.1
178.99893	0.2
179.07188	0.8
193.05070	100.0
194.05400	4.1
199.03966	0.4
208.03748	1.4
215.03604	0.2
223.06120	24.5
224.06471	1.1
227.03514	2.4
242.02240	0.3
243.03055	1.7
255.02965	4.1
256.03427	0.6
257.04474	0.3
270.01602	0.3
271.02466	2.3
272.02820	0.3
284.03256	5.5
285.04004	1.5
286.04559	0.3
291.73062	0.2
298.98550	0.2
299.01965	5.2
300.02527	1.1
309.06171	11.9
310.06497	1.0
314.04343	5.9
315.04935	1.5
339.07269	1.3
513.22430	0.2
521.66681	0.2
735.41241	0.2
739.21082	9.2
740.21155	1.7
769.22217	13.9
770.22754	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	1069.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
74.19776	0.1
78.03490	0.3
80.05061	1.3
83.01386	0.8
85.02960	2.8
86.00093	0.4
87.00884	2.3
89.02459	1.5
92.05106	0.4
94.06634	9.7
95.01412	0.7
99.00896	1.1
101.02460	3.5
101.03082	0.3
104.05099	0.4
106.06640	15.8
107.03783	0.9
107.06979	0.3
108.04589	0.3
108.08236	0.3
109.65839	0.2
113.02456	2.5
116.05027	0.2
118.06671	0.3
119.03527	0.6
120.04556	0.2
120.08203	4.1
121.05366	0.5
122.06139	10.9
123.06492	0.3
124.07697	7.2
125.02470	0.4
125.08045	0.2
130.06644	0.2
131.03511	1.4
132.04587	1.4
134.06171	1.3
136.04131	0.2
136.07726	0.9
138.05627	0.8
138.16470	0.1
143.03529	0.3
144.08223	0.2
146.06181	0.3
147.03264	0.3
148.04095	0.6
148.07721	0.4
150.05615	0.9
152.07219	0.6
158.02469	0.7
158.06148	0.6
159.03015	0.4
160.04088	0.9
161.04597	2.0
162.05675	0.3
164.07222	0.4
168.06676	10.1
169.06998	0.2
172.07672	0.4
173.04794	0.2
174.05647	0.7
174.09288	0.6
176.03572	0.3
179.05650	0.3
180.06679	1.2
182.08308	0.6
186.05667	0.4
188.07233	0.3
190.05115	2.6
192.06749	0.3
195.09351	0.2
197.10841	0.6
199.12373	0.2
200.07150	0.2
200.82680	0.2
203.05630	0.2
206.08394	0.2
209.10814	0.4
210.07892	0.3
211.08812	0.3
211.12479	0.5
213.10291	0.4
215.12032	0.2
219.09229	0.3
220.10046	0.4
221.06758	1.7
221.10851	3.9
222.07878	0.4
223.08798	3.1
223.12407	0.5
224.09401	0.8
225.10291	1.0
226.11017	0.3
227.11891	0.7
233.10860	0.4
234.08022	0.5
234.11667	0.2
235.08818	1.4
235.12302	0.8
236.05931	0.2
236.09428	0.9
237.06693	0.3
237.10329	3.6
237.13940	0.3
238.11154	1.1
239.08237	0.3
239.11879	3.3
240.08943	0.2
240.12383	0.3
241.03885	0.2
241.13467	2.1
243.15009	0.2
245.10999	0.2
247.08728	0.4
247.12495	0.3
248.09543	0.7
249.06702	1.9
249.10335	4.9
250.07368	0.8
250.11011	0.8
251.08264	2.9
251.11900	3.7
252.08743	0.4
252.12651	0.6
253.09885	0.5
253.13499	0.5
261.07443	0.2
261.10226	1.3
262.07468	1.6
262.11047	0.8
263.08264	7.0
263.11859	3.3
264.09012	7.0
264.12515	1.0
265.09793	5.9
265.13364	1.6
266.10358	0.6
267.11343	1.8
268.08728	0.2
269.12952	1.5
271.10895	0.6
273.10144	0.2
273.12723	0.2
274.11090	0.2
275.08304	1.8
275.11905	0.9
276.09021	3.3
276.12253	0.3
277.09830	11.1
277.13257	0.7
278.10529	3.4
278.14154	0.9
279.11389	10.9
279.14001	0.3
280.12122	3.0
281.09448	0.5
281.12952	1.3
283.11002	0.8
285.12439	0.8
287.14215	0.2
288.09061	0.3
288.14944	0.2
289.09888	1.7
289.13126	0.3
290.10565	2.3
291.11380	8.7
292.08740	0.3
292.12109	5.0
293.09555	0.3
293.12918	1.8
294.13681	0.2
295.10861	1.2
295.14047	0.3
296.08160	0.2
296.11566	0.3
297.12399	1.3
298.13089	0.2
303.07925	0.3
303.11395	1.4
304.08804	0.2
304.12051	0.9
305.09317	2.4
305.12997	2.1
306.10092	0.5
306.13632	3.3
307.10751	0.5
307.14337	0.5
309.12344	0.4
310.09796	0.2
310.13138	0.3
311.13919	0.4
312.11386	0.5
313.11966	0.2
314.13171	0.6
316.14688	0.3
317.09274	0.5
318.10272	0.4
318.16183	0.4
319.10828	0.4
323.10425	2.5
324.11166	2.8
325.11722	1.1
326.12885	1.0
327.13849	1.0
328.14703	0.9
328.18033	0.3
329.15347	1.0
330.12741	0.3
330.15933	0.8
331.10953	0.3
332.11517	0.2
336.11136	1.5
337.11945	0.7
339.09900	0.3
340.10812	0.3
340.14572	0.5
341.15555	0.4
342.12512	0.5
342.16156	4.8
342.20148	0.4
343.16763	0.8
344.14172	0.3
344.17719	1.7
345.18594	0.2
349.12024	0.6
350.12589	0.6
353.11511	0.6
354.12589	0.6
354.16425	0.4
355.13135	0.5
356.13998	0.9
356.17850	1.3
357.14752	0.4
357.18723	0.3
358.15527	0.7
358.19427	0.4
359.16330	0.8
360.17184	1.6
361.17688	0.3
367.13116	0.3
368.13974	2.3
368.17584	0.2
369.10754	0.2
369.14706	1.1
370.15576	5.8
370.19263	0.5
371.12366	0.5
371.16174	1.1
371.20154	0.7
372.13220	0.5
372.17245	1.1
373.13852	0.4
373.17929	0.4
374.15106	0.2
374.18854	2.1
375.19534	0.4
376.20142	0.5
382.11868	0.2
382.15808	1.6
383.16321	1.2
384.12744	0.3
384.17236	4.8
385.18237	0.9
386.14685	2.1
386.19714	1.1
387.15433	0.3
387.19751	0.3
387.39157	0.2
388.16437	1.2
396.17371	1.5
397.18048	1.9
398.19000	3.8
399.19659	4.4
400.16071	1.0
400.20685	0.5
401.17377	0.7
402.18420	2.0
403.18896	0.4
406.17447	0.2
410.15344	0.8
411.15518	0.2
412.16907	0.9
413.17438	0.6
414.18463	2.8
415.19269	1.1
416.20007	2.1
417.21091	0.8
418.17654	0.6
419.18356	0.6
420.19443	1.1
424.16708	1.1
425.17484	8.0
426.18066	2.3
428.15460	2.4
429.16846	0.5
430.17657	0.5
431.18445	1.4
433.19965	0.3
440.16183	0.5
442.17752	5.4
443.18494	32.2
444.19058	6.3
445.20090	0.3
446.16983	1.2
447.17352	0.2
454.18030	0.8
457.16620	0.3
458.17007	0.7
459.18146	0.2
460.18890	1.5
461.19562	9.1
462.20267	4.5
463.20667	0.5
464.18381	0.3
472.18686	0.4
474.20306	0.6
475.17133	0.3
479.24799	0.4
486.16751	0.6
487.17444	2.1
488.18021	0.5
492.21558	0.2
493.22455	0.6
497.25232	0.5
505.22733	0.4
506.19235	0.3
518.19208	1.0
521.25824	1.1
523.23328	0.5
537.20734	0.4
539.26593	0.3
547.23547	3.7
548.23755	0.5
565.24567	5.9
566.25122	0.5
569.24304	0.8
570.24371	0.2
583.25653	2.9
584.25909	0.5
597.27258	0.5
609.23657	12.6
610.24042	1.5
615.28308	1.0
627.24762	0.2
641.26233	3.3
642.26801	0.5
737.24017	0.3
742.28235	0.2
826.30829	0.6
830.30438	0.3
831.31555	0.7
863.34131	0.5
870.29889	3.0
871.30389	5.2
872.30811	0.7
902.32251	3.2
903.32446	1.2
949.38098	0.4
951.35205	0.5
975.35583	0.6
976.38678	0.2
983.37665	0.8
993.36536	100.0
994.36884	20.6
1025.39087	59.3
1026.39258	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	1067.367
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05068	1.3
85.02957	1.5
87.00892	1.4
89.02451	0.9
92.05079	0.4
94.06632	4.7
95.01405	0.3
96.04541	0.3
99.00892	0.5
101.02450	2.4
104.05040	0.6
106.06645	11.0
107.06968	0.4
108.04578	0.3
108.08180	0.3
113.02457	1.9
115.00388	1.0
120.08223	0.5
121.05369	0.6
122.06141	3.3
124.07700	3.2
131.03513	0.9
132.04576	3.0
133.01468	1.3
134.03741	0.5
134.06136	4.8
136.07718	0.5
138.05598	0.4
144.04504	0.4
148.04042	0.6
148.07719	0.4
149.04887	0.3
149.06046	0.3
150.05585	0.5
150.73677	0.3
152.07144	0.6
158.06136	1.0
159.03056	0.4
160.03998	0.7
160.06435	1.1
161.04564	1.1
165.01985	0.3
168.06683	4.8
172.07625	0.4
174.05548	0.5
175.02480	0.8
180.06749	0.5
190.05032	1.4
193.05066	0.3
197.10881	0.4
211.06160	0.4
211.08875	0.5
213.10345	6.1
221.06770	0.6
221.10719	0.3
223.06224	0.3
223.08772	1.0
224.09236	0.3
225.10329	1.0
226.11049	0.4
235.08829	0.5
236.09564	0.5
237.10303	1.1
239.03046	0.3
239.11897	8.1
241.13493	4.5
247.08829	0.6
249.10289	0.6
250.07619	0.4
251.08211	0.6
251.11845	2.0
253.09758	0.4
253.13467	0.4
257.13004	0.4
262.07336	0.5
263.08173	1.2
263.11679	0.7
264.09030	0.3
265.09738	2.1
265.13419	0.7
267.11371	6.3
268.11841	0.7
269.12906	0.3
275.08173	0.5
275.11444	0.4
277.09830	1.1
278.10532	1.0
279.11191	1.5
283.10895	0.9
285.12448	7.6
286.13034	0.3
289.09665	0.4
291.11365	0.8
293.09360	0.9
293.12946	1.4
295.10934	0.6
297.12482	1.1
300.11697	0.3
311.10660	0.5
312.11560	0.4
313.13263	0.9
316.14487	1.4
324.11365	1.2
325.12152	1.0
326.13388	0.5
327.10117	0.6
327.13931	0.7
328.10843	1.5
328.14578	1.1
329.11447	0.6
330.12411	0.3
332.65094	0.3
338.13202	0.5
339.14493	0.4
340.10776	1.2
340.14523	7.7
341.11530	1.0
341.15131	1.0
342.12390	1.4
342.16302	0.7
343.13416	1.5
344.13904	0.8
352.10883	0.6
353.11710	0.8
354.12427	4.0
354.16339	0.6
355.13174	1.4
356.14093	3.4
356.17886	0.3
357.14941	1.4
358.15610	3.4
359.16211	0.3
360.17374	0.3
366.12277	0.6
367.13321	0.8
368.09842	1.4
368.14276	2.2
369.10904	0.9
369.14859	2.2
370.11749	0.6
370.15561	3.0
371.12308	0.5
371.16452	0.5
372.17169	1.4
378.12051	0.4
379.13278	0.5
380.10086	0.5
380.14337	0.4
381.11182	0.9
382.11331	1.6
382.16183	1.9
383.12662	1.2
383.16599	0.8
384.13379	3.8
384.17325	3.9
385.13934	0.8
392.14078	0.5
394.11642	0.8
394.15689	0.9
395.12131	0.3
396.13242	2.6
397.14191	2.4
398.14572	3.3
398.19009	1.1
399.15500	0.5
400.16733	3.7
401.16977	0.5
408.17642	0.4
409.14276	0.8
410.15161	3.3
411.15613	0.6
412.16678	5.9
413.17166	0.5
424.16699	0.9
425.13998	0.5
426.13708	0.7
426.19281	2.1
433.16852	0.8
436.19464	0.4
438.14453	1.1
444.15656	1.0
445.16464	0.5
446.17365	0.5
447.18408	0.8
448.19131	0.6
449.19543	0.6
451.24927	0.4
452.16293	1.4
456.15665	0.6
460.18707	0.5
461.19919	0.9
462.20514	2.0
463.21280	1.7
470.17166	0.7
475.21564	1.7
476.22357	1.6
477.22940	3.3
478.22943	0.6
480.21548	0.5
488.18274	0.7
489.19012	0.4
490.19693	0.4
491.19699	1.8
492.23376	0.3
493.22513	0.9
494.23077	0.8
495.23965	1.6
501.22522	0.9
502.20215	0.6
503.20975	4.5
504.21484	1.1
517.22504	2.7
518.22345	0.4
519.24030	4.5
521.21985	1.5
535.23425	0.6
537.25031	1.0
545.21857	9.6
546.22101	1.6
563.23053	13.0
564.23444	1.7
567.22656	0.5
581.24084	4.4
607.21991	16.4
608.22205	2.1
613.25854	0.5
639.24609	2.3
737.24353	1.2
773.44275	0.4
829.29468	0.5
887.34235	0.4
905.34845	0.6
947.35712	1.9
948.37689	0.6
949.33429	0.6
973.34332	0.8
979.35950	1.0
981.36572	0.5
991.34991	100.0
992.35303	19.2
1023.37488	30.2
1024.37708	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	1067.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05066	1.1
83.01397	0.5
85.02956	1.9
87.00883	1.1
89.02435	0.8
92.05067	0.4
94.06635	4.7
95.01392	0.3
95.02020	0.2
97.02918	0.2
99.00906	0.3
101.02449	1.9
104.05066	0.2
106.06640	9.7
107.03748	0.2
107.65238	0.2
108.04585	0.3
113.02463	1.7
118.06641	0.2
120.04540	0.4
120.08214	0.3
121.05357	0.3
122.06152	3.1
124.07700	3.2
125.08011	0.2
130.06650	0.3
131.03534	0.7
132.04581	3.0
134.06134	4.7
136.07701	0.6
138.05656	0.5
146.06137	0.2
148.04037	0.4
148.07715	0.5
150.05579	0.3
152.07166	0.3
158.02443	0.4
158.03687	0.2
158.06117	1.0
159.05685	0.2
160.04030	0.7
160.06450	1.0
161.04599	1.2
168.06676	4.5
172.07770	0.2
174.05655	0.5
176.03537	0.3
180.06703	0.4
182.08270	0.4
186.05830	0.2
190.05087	1.4
192.06674	0.2
197.07146	0.3
198.12854	0.2
209.07091	0.2
211.08705	0.2
211.12381	0.2
213.10344	6.1
214.10608	0.4
221.06729	0.7
223.08766	0.9
223.12395	0.3
225.10355	0.9
226.11111	0.8
235.08705	0.7
236.09483	0.4
237.10292	1.0
239.11911	6.3
240.10191	0.2
240.12291	0.6
241.13431	4.1
242.13875	0.2
247.08891	0.4
249.10271	0.5
250.07388	0.2
251.08263	0.6
251.11867	2.3
253.09782	0.4
253.13470	0.4
262.07538	0.3
262.11053	0.3
263.08197	0.7
263.11844	0.6
265.09793	2.4
265.12869	0.3
266.10187	0.2
267.11383	4.5
268.11853	0.3
275.08459	0.4
275.11530	0.3
277.09814	0.9
278.10599	0.8
279.11377	1.4
281.09381	0.3
283.10880	0.7
285.12454	7.0
285.15665	0.4
286.13077	0.4
289.09598	0.3
291.11401	0.7
293.09317	0.8
293.12924	1.5
295.10907	0.6
297.12579	1.0
309.12704	0.2
311.10602	0.4
312.94974	0.2
313.13568	0.9
314.09540	0.3
314.13037	0.4
316.14572	1.5
324.11398	0.8
325.12067	1.0
326.13165	0.6
327.10199	0.4
327.13766	0.5
328.10922	1.7
328.14563	0.7
329.11487	0.5
329.15247	0.2
330.16104	0.5
338.12885	0.3
339.10056	0.5
339.14304	0.3
340.10867	1.0
340.14536	6.4
341.11584	0.9
341.15463	0.6
342.12381	1.2
342.16254	0.6
343.13156	1.7
344.13962	0.7
344.17627	0.3
350.12976	0.2
352.11041	0.5
353.11792	0.5
354.12469	3.3
354.16385	0.4
355.13202	1.4
356.09839	0.2
356.14047	3.9
356.17798	0.4
357.14972	1.4
358.15668	3.9
359.15823	0.4
360.17038	0.3
364.14838	0.2
365.15170	0.2
366.12497	0.7
367.13483	0.7
368.10266	1.3
368.14084	2.5
369.10867	0.8
369.14859	1.5
370.11774	0.7
370.15616	2.5
371.12323	0.4
371.16336	0.6
372.17224	1.2
378.12286	0.4
379.13519	0.3
380.10004	0.4
380.14111	0.6
381.10983	0.8
382.11234	1.3
382.16022	2.1
383.12085	0.9
383.16422	0.6
384.13376	4.1
384.17300	3.4
385.13812	0.4
385.18036	0.3
392.14090	0.4
393.14673	0.2
394.11328	0.9
394.15866	0.6
395.12357	0.4
396.13284	2.1
396.17850	0.3
397.14267	2.5
398.14587	2.8
398.19019	1.0
399.15326	0.9
400.16693	3.3
401.17197	0.4
408.12817	0.3
408.17322	0.6
409.14243	0.4
410.15112	2.6
411.15781	0.8
412.16617	5.2
413.17020	0.6
417.13596	0.2
420.16840	0.3
423.21835	0.3
424.16843	1.0
425.13718	0.3
426.14014	0.9
426.19208	2.1
427.18661	0.3
428.16202	0.2
431.14917	0.3
433.16678	0.9
438.14301	1.0
444.15802	1.1
445.16693	0.4
446.17459	0.3
447.18170	1.4
448.18649	0.4
449.19568	0.8
452.15909	1.4
456.15536	0.8
460.19412	0.5
461.19968	0.8
462.20456	1.8
463.21576	1.2
465.23135	0.2
466.20776	0.2
470.17365	0.7
472.19174	0.2
475.21780	1.3
476.22327	1.1
477.23010	3.4
478.23404	0.4
479.20731	0.3
480.21347	0.3
485.20520	0.3
488.18445	0.5
489.18689	0.4
490.19885	0.6
491.20844	1.7
491.25110	0.7
493.22687	1.1
494.23093	0.5
495.23932	1.3
501.23206	0.9
502.19995	0.6
503.20938	3.6
504.21265	0.8
509.26239	0.3
517.22388	2.5
518.22632	0.3
519.24054	4.2
520.23718	0.6
521.21692	1.3
522.22650	0.2
527.20789	0.3
533.22382	0.2
535.22919	0.7
537.25159	0.9
545.21881	8.9
546.22272	1.0
563.23065	12.0
564.23322	1.7
581.24146	3.7
582.24713	0.5
607.21973	12.1
608.22601	1.5
613.26837	0.5
625.23010	0.3
639.24792	2.1
737.24042	0.8
769.27002	0.2
829.30463	0.4
905.35291	0.5
931.32733	0.3
946.35980	0.2
947.36298	2.0
948.36743	0.3
949.33893	0.4
973.34308	0.8
981.36505	0.7
991.35004	100.0
992.35303	18.0
1023.37567	28.2
1024.37744	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	1067.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	0.3
89.02447	0.2
93.03451	0.2
98.20502	0.2
106.11879	0.1
107.01399	1.2
108.02226	0.2
109.02951	0.7
110.00093	0.2
111.00859	0.2
115.00386	4.2
116.00726	0.1
121.02953	0.6
122.68924	0.1
123.00915	0.1
124.01677	0.2
124.66278	0.1
125.02451	0.2
131.01317	0.1
133.01453	8.7
133.02908	1.0
134.01819	0.2
134.03673	0.3
135.00887	0.3
135.04547	3.1
136.01689	0.2
136.04880	0.1
137.02394	0.2
139.00356	0.4
145.02986	0.1
147.00909	0.2
147.04567	0.1
148.01656	0.1
149.02473	0.3
151.00385	6.4
152.00905	0.2
155.04941	0.1
159.04530	0.2
161.02473	0.3
163.00365	0.6
163.04097	0.1
164.01151	0.4
165.99077	0.4
166.99902	0.1
169.01489	0.5
171.04556	0.3
175.00400	0.7
175.04001	0.3
177.01837	0.5
178.99890	2.4
179.03508	2.1
180.03886	0.2
183.04501	0.3
185.02502	0.1
187.03992	0.4
189.01926	0.4
189.05551	0.1
190.99821	0.2
191.03421	0.2
192.00615	0.1
198.03336	0.2
199.04010	1.5
201.01962	0.8
201.05612	0.3
203.03561	0.7
211.03993	0.3
213.01894	0.2
214.02557	0.1
215.03494	0.9
216.04187	0.1
226.02713	0.4
227.03517	1.8
228.04005	0.2
229.01448	0.1
229.05022	0.4
231.02974	0.5
232.03647	0.1
239.10687	0.1
242.02260	0.3
243.02980	3.1
244.03534	0.2
245.04410	0.3
254.02321	0.5
255.02969	4.6
256.03436	0.3
259.02496	0.3
270.01648	0.3
271.02460	42.2
272.02811	3.3
273.04019	0.3
282.01581	0.2
283.02335	0.2
285.03961	0.3
287.01968	1.2
295.04593	0.7
297.03925	0.3
298.01025	0.2
299.01974	67.6
300.02673	25.8
301.03513	34.2
302.03897	2.6
313.03098	0.5
315.01379	0.2
315.05295	0.2
316.02231	3.0
317.02420	0.5
325.03836	0.1
327.08582	0.3
329.13635	0.1
342.03641	0.3
343.04623	1.3
344.04990	0.2
462.08026	16.1
463.08606	4.3
463.15247	0.2
609.14771	14.9
610.05933	0.1
610.15125	1.9
641.48444	0.1
748.46252	0.1
771.20148	100.0
772.20483	17.3
773.20453	0.2
873.06000	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	1065.348
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	2.8
84.28119	0.2
85.02944	1.4
87.00883	0.5
89.02451	2.6
93.03477	0.7
95.01387	0.5
97.02953	0.3
101.02458	9.0
107.01389	1.2
108.02094	0.2
109.02975	0.4
111.64708	0.2
113.02467	4.4
119.01443	0.2
119.03525	1.5
123.08216	0.5
124.24236	0.2
125.02477	0.6
131.03510	0.8
132.02209	0.4
135.00906	0.9
135.08165	0.3
143.03508	1.2
143.05023	0.6
145.02968	0.3
147.08246	0.4
149.04556	2.1
149.05547	0.2
151.00357	1.4
153.01933	0.3
153.09222	2.3
157.06523	0.3
159.04492	0.6
161.04584	3.8
163.00394	1.7
164.01199	0.2
165.01984	0.3
167.05077	0.3
169.06647	0.5
171.04521	0.6
178.99908	0.3
179.05647	0.2
183.04602	0.4
185.06053	1.6
187.03949	1.5
187.11278	0.6
189.05606	0.7
195.04538	0.4
197.06181	0.5
199.03993	0.7
200.04625	0.2
201.05598	0.3
203.05608	0.5
205.12343	3.8
211.03999	1.6
213.05562	1.6
214.02916	0.2
215.03247	0.2
221.06682	1.5
223.13379	0.6
227.03506	18.6
228.03902	1.1
229.05055	7.8
230.05333	0.4
239.03485	1.2
240.04263	0.7
241.05101	1.0
255.02979	31.8
256.03577	3.5
257.04544	4.2
258.04834	0.4
267.03012	0.6
269.04401	0.3
283.02509	0.4
284.03259	43.7
285.04028	61.0
286.04388	4.5
300.02682	0.3
327.05136	1.0
367.17615	4.8
368.17813	0.4
385.18652	3.0
427.19730	22.6
428.20117	2.2
557.74689	0.2
593.15131	100.0
594.15497	13.7
697.76892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01408	0.3
89.03999	0.2
90.66391	0.1
107.01407	1.1
108.02185	0.9
109.02941	0.1
115.00389	3.2
117.03497	0.7
121.02980	0.5
123.36886	0.1
124.01689	0.2
132.47603	0.1
133.01450	5.9
134.03760	11.8
135.00932	0.3
135.04121	0.4
137.02470	0.2
148.01665	1.0
149.06131	0.8
151.00389	3.8
152.00996	0.1
153.02014	0.2
163.00389	0.6
164.01219	0.2
169.01469	0.2
178.02684	0.7
178.99886	2.8
183.04503	0.1
187.04066	0.1
192.00600	0.2
193.05074	11.7
194.05394	0.7
199.04024	0.7
203.03568	0.2
211.03993	0.3
215.03459	0.6
216.04222	0.4
226.02745	0.9
227.03508	1.9
228.04047	0.2
243.02986	7.2
244.03450	0.8
254.02214	1.6
255.02972	18.6
256.03394	1.4
271.02463	45.3
272.02887	4.1
273.03897	0.2
281.04620	0.1
283.02411	0.1
299.01974	2.0
300.02753	83.9
301.03253	10.1
302.03674	0.3
309.06189	1.2
325.03226	0.2
342.03467	0.1
343.04538	0.4
451.31708	0.1
665.48047	0.2
755.20691	100.0
756.21063	17.3
757.20715	0.2
829.53644	0.1
842.76440	0.2
849.10968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02958	1.7
80.05051	0.5
83.01398	1.0
85.02956	3.1
86.00092	0.5
87.00883	2.5
89.02447	1.8
91.81243	0.2
94.06656	0.3
95.01395	0.8
97.02953	0.4
99.00900	0.7
101.02454	4.3
104.05100	0.3
105.05911	0.3
106.06645	3.9
107.03790	0.8
108.08207	28.6
109.08539	0.6
113.02453	3.1
114.34451	0.2
118.06660	0.2
119.03512	0.6
120.08213	3.4
121.05344	0.7
122.06142	8.3
125.02440	0.4
131.03525	2.0
132.04578	2.4
132.08195	0.4
134.06149	1.6
136.07686	1.7
143.03471	0.5
143.04599	0.3
146.06126	0.4
148.04083	0.5
148.07794	0.5
150.05673	0.3
150.09261	0.7
152.07190	16.1
153.07565	0.5
158.02480	0.6
159.03043	0.4
160.04063	0.8
161.04597	2.3
162.05692	0.3
162.09251	0.3
164.07124	1.0
164.98692	0.2
166.08749	0.7
174.01801	0.2
174.05650	0.5
176.07173	0.4
179.05670	0.4
190.05084	2.1
197.10822	0.6
207.09225	0.4
209.10837	0.3
213.10349	0.3
213.13933	0.4
221.06705	1.7
221.10852	3.3
222.07790	0.3
222.11224	0.3
223.08734	2.3
223.12325	0.4
224.09506	1.0
225.10338	0.8
227.11787	0.3
233.10765	0.3
234.07928	0.4
235.08810	1.5
235.12408	0.5
236.09464	1.7
237.06645	0.3
237.10350	3.6
238.11032	1.2
239.08214	0.4
239.11877	2.1
241.13461	0.7
247.08784	0.5
247.12556	0.3
248.09573	1.1
249.06641	2.2
249.10309	3.7
250.07500	0.9
250.10854	1.0
251.08226	2.0
251.11894	3.5
252.08641	0.4
252.12634	0.5
253.09778	0.4
253.13449	0.9
261.10342	1.8
262.07465	2.5
262.10968	0.9
263.08243	12.5
263.11795	2.6
264.09012	6.2
264.12204	0.5
265.09756	5.2
265.13171	0.5
266.10342	0.5
267.11435	0.9
268.08493	0.8
269.12930	1.9
271.10889	0.7
273.10361	0.6
274.10938	0.3
275.08237	1.6
275.11874	0.6
276.09027	5.7
277.09799	14.0
278.10501	4.2
279.11356	7.7
280.11902	1.8
281.09628	0.3
281.12906	1.4
282.10162	0.3
283.10873	0.4
285.12534	0.5
289.07059	0.2
289.09879	1.2
289.13559	0.6
290.10535	2.6
291.11395	10.7
292.12064	4.1
293.09781	0.3
293.12897	1.5
294.10370	0.3
294.13583	0.5
295.10928	0.7
295.14502	0.4
296.11557	0.3
297.12543	0.3
303.07822	0.3
304.08456	0.6
305.09286	4.0
306.09943	0.9
307.10941	0.3
310.09573	0.6
311.14032	0.7
312.11298	0.4
313.12607	0.3
314.12991	0.6
317.09314	1.1
318.10086	1.0
318.16150	0.6
319.10880	0.6
322.09671	0.4
323.10458	1.6
324.11111	1.5
325.11652	0.3
326.12646	0.3
328.14557	1.8
330.12360	0.2
330.16135	0.3
337.11874	1.7
342.12415	0.3
342.16138	4.2
343.13098	0.3
343.16739	1.3
344.17694	0.8
346.19406	0.3
355.13171	0.7
356.13864	0.9
356.17825	0.9
357.14697	0.5
357.18567	0.4
358.11874	0.3
358.15604	0.5
358.19284	2.6
359.19891	0.5
360.17133	0.6
360.20898	0.7
368.13849	0.5
369.15198	0.3
370.15564	4.0
370.19449	0.5
371.16306	1.7
371.20120	0.4
372.17099	3.2
372.21225	0.4
373.13715	0.3
373.21524	0.4
375.15878	0.4
382.19336	0.7
383.20065	0.6
384.13068	0.4
384.17239	4.8
385.14346	0.2
385.18008	2.5
386.14178	1.5
386.19290	2.7
387.19589	0.3
398.14893	0.8
398.19083	3.8
399.19659	6.1
399.24783	0.3
400.20456	3.3
401.21219	2.1
402.17688	1.0
402.22510	0.5
404.19852	0.8
408.17371	0.4
409.18323	0.3
412.16632	1.8
413.17352	0.5
414.13855	0.5
414.19009	1.2
416.15961	0.3
426.18207	6.9
427.19016	48.6
428.19724	9.0
429.20599	0.3
430.17838	1.1
431.18530	1.3
433.20053	0.8
439.25165	0.4
440.16345	0.6
442.17725	0.7
443.18347	1.0
444.19244	2.0
445.20071	9.5
446.20923	4.6
447.21014	0.3
448.18616	0.3
458.20764	0.7
459.17899	0.8
460.18137	0.3
470.17145	2.7
471.18021	4.4
472.18744	1.4
477.22653	0.3
479.24667	0.6
481.26154	0.5
490.19296	0.3
502.19788	0.7
505.26083	0.3
506.23514	0.4
507.24060	1.7
508.24414	0.3
521.26648	1.3
523.27209	0.4
549.25037	13.1
550.25385	1.8
553.24664	0.8
567.26196	2.5
568.26440	0.4
593.24097	14.2
594.24060	1.6
599.28735	0.4
611.25482	0.2
625.26630	3.0
626.27228	0.3
638.74878	0.3
648.26514	0.3
694.26257	0.3
810.30731	0.8
815.31158	0.6
847.34949	0.3
851.31909	0.2
854.30048	3.5
855.31146	6.0
856.31860	0.7
886.32721	2.8
887.33282	1.2
919.30902	0.3
933.38385	0.9
935.35950	0.6
959.36200	0.6
965.39722	0.3
967.38684	1.0
977.37085	100.0
978.37378	22.6
983.97296	0.3
1009.39618	51.4
1010.39880	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	1049.6814
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	15.6
96.96981	0.3
122.98538	0.4
152.99619	2.3
158.77118	0.1
168.04335	2.7
224.06926	8.6
225.07307	0.3
237.22125	0.1
242.07997	1.8
255.23286	100.0
256.23618	7.5
256.42432	0.1
318.43665	0.1
347.32898	0.1
358.52258	0.1
391.22696	0.2
480.30942	95.4
481.31284	10.0
495.27112	0.7
554.26099	0.3
554.34723	6.0
555.35217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
53.85554	1.0
57.42370	0.8
58.07836	1.0
59.01387	13.4
64.01926	2.3
64.55187	0.9
65.01437	2.2
71.56513	1.0
71.56841	1.6
72.99315	58.7
74.69929	1.1
75.00881	32.0
76.01244	1.1
87.92548	1.6
103.00406	1.5
104.92818	1.9
105.01953	100.0
105.04620	4.2
106.02334	1.9
106.04128	18.9
111.85828	1.1
123.94639	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	1051.26
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.2
73.02938	0.3
83.01374	0.4
85.02947	0.2
87.00883	0.3
87.04481	0.1
89.02438	0.2
95.01395	0.1
98.19861	0.3
101.02436	0.2
107.01395	1.0
108.02187	0.1
111.00798	0.1
115.00394	3.1
117.03470	0.2
119.05045	3.4
120.05376	0.2
123.00901	0.1
124.01673	0.2
125.02463	0.1
131.03522	0.1
131.05029	0.1
133.01451	7.0
133.03026	0.3
134.01807	0.2
134.03760	0.1
135.00908	0.3
135.04518	0.5
137.02518	0.1
141.03508	0.1
143.03540	0.2
143.04993	0.3
145.02988	0.1
147.00964	0.2
149.02507	0.4
151.00391	4.0
152.00931	0.2
155.05035	0.5
157.02975	0.2
159.04523	0.6
161.02454	0.9
163.00412	0.5
163.04025	3.6
163.06187	0.2
164.01176	2.6
164.04301	0.1
165.01685	0.1
165.05481	0.1
167.04976	0.1
169.01448	0.2
171.04500	0.4
173.02524	0.1
173.82521	0.1
175.04030	0.5
177.01967	0.3
178.99904	0.7
179.03531	0.5
183.04535	1.3
185.02446	0.7
187.00420	0.4
187.03993	0.4
188.00969	0.1
189.02045	0.4
192.00645	0.2
193.01422	0.2
193.05035	0.2
198.03174	0.1
199.04002	1.9
200.04300	0.2
201.01942	6.1
202.02208	0.4
203.03511	4.1
204.03839	0.2
210.07080	0.1
211.04008	0.5
213.01894	0.2
215.03540	0.5
217.01361	0.2
217.76108	0.1
218.02080	0.1
219.02922	0.2
225.02080	0.1
226.02689	0.1
227.03503	4.2
228.03853	0.2
229.01407	0.4
230.02197	0.3
231.02989	4.6
232.03502	0.4
242.02008	0.1
243.02982	2.6
244.03510	0.2
253.01480	0.2
254.02112	0.1
255.02982	4.2
256.03329	0.3
257.00916	0.3
271.02463	59.8
272.02814	4.2
272.05869	0.1
279.05124	0.4
281.00836	0.2
295.04620	0.3
298.01163	0.3
299.01978	100.0
300.02448	10.5
301.03448	0.9
316.02219	2.3
317.02783	0.3
327.08704	0.3
526.20996	0.1
607.13232	0.2
609.15186	0.1
668.51489	0.1
719.06097	0.1
755.20703	2.9
756.20935	0.6
771.20184	8.8
772.20410	1.6
891.27344	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	1035.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.4
89.02406	0.2
98.19888	0.5
107.01418	0.9
108.02196	1.1
115.00386	6.1
116.00690	0.2
118.87463	0.1
119.05044	5.1
121.02977	0.4
124.01697	0.2
133.01451	14.4
134.01787	0.4
135.00923	0.3
148.01666	0.9
149.02412	0.1
151.00389	4.2
152.00771	0.1
156.27013	0.1
163.00406	0.7
163.04019	4.0
164.01199	0.3
164.04454	0.2
169.01494	0.3
175.04120	0.2
177.62044	0.1
178.99887	2.7
190.99910	0.2
192.00706	0.2
199.03984	0.6
200.04755	0.2
201.01967	0.2
203.03587	0.2
211.03961	0.3
215.03578	0.4
216.04303	0.3
226.02690	1.0
227.03513	2.0
228.04099	0.2
229.68686	0.2
243.02977	7.6
244.03488	0.6
248.85838	0.2
254.02185	1.8
255.02975	20.2
256.03391	1.4
271.02463	44.7
272.02927	4.2
273.03860	0.3
279.05136	0.9
299.02014	2.0
300.02753	94.3
301.03238	12.2
302.03918	0.4
325.03372	0.3
343.04321	0.3
355.04102	0.2
591.13544	0.2
618.32483	0.2
755.20697	100.0
756.21045	21.2
1003.68390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	0.1
83.01373	0.1
87.77218	0.1
89.02486	0.1
89.03976	1.5
93.03515	0.2
100.80313	0.1
100.85994	0.1
106.04256	0.4
107.01418	0.3
115.00387	6.3
117.03474	4.7
118.03828	0.1
119.05090	0.1
121.02962	0.2
132.02232	0.1
133.01450	4.7
133.03011	0.3
134.03757	64.6
135.04089	2.2
137.02452	1.7
139.04034	0.5
149.06099	6.8
150.06380	0.2
151.00371	0.7
163.00412	0.2
175.94359	0.1
178.02725	6.3
178.99867	0.4
179.03020	0.2
183.04584	0.1
193.05067	100.0
194.05406	4.5
211.03978	0.3
213.05504	0.1
227.03496	7.3
228.03949	0.4
229.04985	0.3
239.03484	0.2
241.04866	0.1
255.02972	14.5
256.03500	1.5
257.04486	0.4
283.02487	0.4
284.03253	22.3
285.03915	3.9
286.04340	0.2
309.06180	7.1
310.06445	0.4
327.04898	0.3
513.48956	0.1
575.14240	0.2
739.21057	32.5
740.21332	4.9
777.05548	0.1
954.24133	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	1035.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73200	0.1
72.99287	0.3
79.04292	0.1
83.01412	0.5
85.02947	0.2
89.02425	0.3
93.03441	0.2
104.00776	0.1
107.01392	1.4
108.02174	0.9
108.08779	0.1
109.02952	0.3
109.63138	0.1
113.73934	0.1
115.00388	4.2
117.65266	0.1
119.05049	6.1
120.05342	0.2
121.02951	0.4
124.01604	0.2
127.09632	0.2
133.01453	8.1
134.01775	0.2
135.00926	0.5
135.04514	0.3
148.01692	1.0
149.02377	0.2
151.00385	4.7
152.01135	0.3
163.00360	0.6
163.04025	7.5
164.01183	0.5
164.04369	0.3
169.01448	0.5
171.04532	0.2
175.03966	0.2
178.99875	3.3
183.04507	0.2
186.65144	0.1
187.03957	0.3
191.03618	0.1
192.00606	0.2
199.04036	0.4
201.01988	0.3
203.03609	0.2
211.04016	0.5
211.05972	0.2
215.03525	0.7
216.04236	0.5
226.02762	1.3
227.03511	2.5
228.03931	0.2
229.01312	0.2
231.03201	0.1
243.02977	9.2
244.03424	1.0
251.07140	0.2
254.02228	2.1
255.02972	23.2
256.03354	1.7
257.04654	0.1
271.02460	51.1
272.02902	5.0
273.03732	0.4
279.05032	0.7
281.04407	0.2
284.03381	0.3
297.04059	0.4
299.01971	3.4
300.02756	98.5
301.03268	11.7
302.03922	0.5
325.03445	0.4
327.08575	0.2
343.04428	0.5
403.08154	0.3
446.06601	1.2
447.06915	0.2
489.10101	0.2
591.13782	0.3
625.14520	0.2
755.20703	100.0
756.21039	19.1
875.26184	0.3
901.24847	1.4
902.24701	0.4
919.26251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0562
Annotation	L-2-Aminobutyric acid
Peak:m/z	Relative Intensity
56.09225	0.8
57.03449	17.3
59.01379	10.6
71.72194	1.7
73.02948	3.9
84.04559	14.5
85.02957	7.7
101.02469	2.9
102.02744	1.6
102.05618	100.0
103.04009	6.3
103.05934	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	1025.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	6.9
73.02954	2.2
80.05080	1.3
81.03459	0.2
83.01412	0.9
83.72788	0.2
85.02962	3.9
86.00110	0.5
87.00875	3.1
89.02449	2.1
92.05061	0.3
92.98843	0.3
94.06636	12.1
95.01405	0.8
95.06937	0.2
97.02983	0.4
98.19872	0.5
99.00896	0.9
101.02455	5.1
101.03088	0.4
104.05098	0.5
105.05862	0.3
106.06640	17.3
107.03772	1.2
107.07006	0.7
108.04526	0.5
108.08206	0.4
113.02478	3.9
116.05051	0.3
118.06636	0.4
119.03529	0.9
120.04558	0.4
120.08203	5.1
121.05361	0.9
122.06139	14.7
123.06478	0.5
124.07703	7.9
125.02451	0.4
125.08030	0.3
130.02966	0.3
131.03529	2.1
132.04572	2.0
134.06128	2.4
136.07701	1.0
137.04822	0.3
138.05626	1.1
143.03502	0.5
144.04555	0.3
146.06155	0.4
148.04068	0.5
148.07684	1.1
150.05621	1.1
152.07227	0.7
158.02469	0.7
158.06139	1.0
159.03009	0.4
160.04050	1.0
160.07713	0.3
161.04614	2.4
162.05620	0.9
164.07265	0.4
166.08765	0.5
168.06679	12.9
169.07050	0.5
172.07675	0.5
173.91690	0.2
174.05591	0.8
174.09261	0.9
176.03488	0.4
179.05695	0.4
180.06726	1.4
182.08228	1.0
183.09290	0.3
186.05562	0.3
190.05096	3.2
191.05545	0.2
192.06644	0.3
193.03889	0.3
197.10889	0.8
207.09264	0.3
209.06853	0.2
209.10811	0.5
210.07884	0.6
211.08774	0.3
211.12393	0.3
213.10378	0.4
215.11977	0.2
216.06650	0.3
219.09242	0.3
220.10060	0.3
221.06671	1.7
221.10815	4.2
221.12744	0.2
222.07915	0.4
223.08797	2.8
223.12434	0.4
224.09354	1.1
225.10295	1.2
226.11119	0.2
227.11926	0.5
233.10947	0.5
234.07979	0.5
235.08644	1.4
235.12370	0.9
236.09515	1.2
237.06577	0.3
237.10347	4.0
238.11047	1.1
239.08189	0.3
239.11890	3.2
240.08966	0.3
241.13438	1.4
243.15045	0.5
247.08780	0.3
248.09512	0.8
249.06651	2.0
249.10315	5.1
250.07355	1.1
250.11006	1.0
251.08266	3.8
251.11882	4.3
252.08807	0.6
252.12547	1.1
252.97813	0.2
253.09752	0.9
253.13527	0.4
261.10324	1.7
262.07391	1.4
262.11081	0.6
263.06116	0.1
263.08240	7.4
263.11868	3.8
264.09009	7.6
264.12476	1.2
265.09778	6.9
265.13403	2.3
266.10385	0.8
266.13895	0.3
267.11429	1.9
268.08557	0.3
269.13046	2.0
271.10873	0.8
273.10172	0.3
274.11075	0.3
275.08264	1.9
275.11841	0.8
276.09033	4.4
277.09821	13.6
277.13251	0.8
278.10507	3.9
278.14145	0.9
279.11371	12.7
280.08887	0.4
280.12045	3.9
281.09427	0.4
281.12915	1.1
282.09915	0.3
283.10825	0.7
285.12375	1.4
289.09790	1.7
290.10559	2.9
291.08051	0.5
291.11392	9.7
292.08759	0.3
292.12109	5.7
293.09445	0.5
293.12878	1.5
294.09995	0.3
294.13412	0.5
295.10895	1.2
295.14331	0.5
296.11526	0.5
297.12451	1.3
302.10281	0.3
303.11304	1.7
304.08813	0.4
304.11996	1.2
305.09323	2.6
305.12973	3.1
306.10071	0.7
306.13666	4.6
307.10721	0.6
307.14276	0.6
309.12445	0.5
310.13391	0.4
311.10532	0.4
311.13901	0.4
312.11530	0.4
313.12225	0.4
314.13226	0.5
315.14175	0.3
317.09293	0.5
318.10138	0.7
319.10809	0.5
323.10312	3.1
324.11115	3.5
325.11865	1.2
326.12827	1.0
327.13718	1.0
328.14569	1.0
329.15308	0.6
330.12192	0.4
330.16037	0.6
332.11316	0.5
333.12540	0.3
335.10461	0.3
336.11243	2.0
337.11932	0.6
339.09900	0.5
339.13693	0.3
340.14581	0.7
341.11630	0.3
341.15393	0.7
342.12631	0.4
342.16159	5.5
343.16797	0.8
344.13937	0.5
344.17691	2.1
349.12036	0.9
350.12686	1.2
351.13422	0.3
353.11530	0.4
354.12207	0.7
354.16238	0.6
355.13306	0.6
356.14020	0.9
356.17950	1.2
357.14700	0.3
358.15475	1.1
358.19406	0.7
359.16452	1.1
360.17169	1.6
361.17731	0.4
366.12189	0.3
368.13934	2.2
368.17563	0.3
369.14899	1.1
370.15561	6.4
370.19269	0.5
371.12354	0.6
371.16269	1.5
371.20190	0.5
372.13089	0.4
372.17172	1.5
372.21140	0.3
373.13895	0.3
373.18057	0.4
374.15210	0.3
374.18829	2.8
375.19351	0.6
376.20200	0.7
381.14618	0.3
382.15637	1.8
383.16397	1.6
384.12741	0.4
384.17194	5.4
385.18021	1.1
386.14658	2.7
386.18893	1.2
387.15607	0.3
388.16544	1.8
396.17297	1.7
397.17813	2.5
398.18954	4.6
399.19745	4.8
400.15994	1.4
400.21121	0.3
401.17380	0.9
402.18195	2.1
410.14893	1.1
411.15906	0.3
412.16934	1.1
413.17136	0.7
414.18381	2.8
415.18860	1.0
416.20050	2.2
417.20886	1.4
418.17670	0.9
419.18256	0.4
420.19351	1.0
424.16702	1.2
425.17447	8.2
426.18130	2.3
428.15344	2.3
428.20627	0.7
429.16479	0.5
430.17636	0.9
431.18530	1.3
432.19223	0.3
440.16196	0.4
442.17749	6.4
443.18494	35.4
444.18982	6.5
446.17123	1.4
447.18445	0.3
454.17825	0.7
455.24567	0.4
458.17288	0.8
459.17746	0.6
460.18829	2.0
461.19574	11.4
462.20233	4.9
463.20828	0.5
464.18097	0.3
472.18866	0.5
474.20319	0.8
479.24765	0.3
486.16541	0.8
487.17343	2.3
488.18094	0.7
492.20871	0.5
493.22546	0.4
494.22867	0.3
497.25360	0.6
505.22305	0.7
506.19540	0.3
518.19244	1.1
519.24200	0.5
521.25458	1.5
523.23645	0.6
537.21045	0.4
547.23218	3.7
548.23840	0.7
565.24603	7.2
566.24890	0.9
569.24030	0.9
583.25470	4.1
584.26288	0.4
597.26288	0.4
609.23700	17.4
610.24011	2.5
610.45563	0.3
615.28583	1.1
641.26263	5.1
642.27039	0.8
659.28491	0.3
680.27368	0.2
710.25897	0.3
737.24194	0.3
753.28534	0.3
826.31030	0.8
830.29742	0.5
831.30750	0.7
863.34247	0.6
870.29578	3.3
871.30475	5.5
872.30389	0.7
902.32245	4.1
903.33356	1.3
933.33673	0.3
949.38470	0.5
957.34277	0.2
965.37689	0.4
975.36115	0.3
981.37061	2.1
982.36230	0.5
993.36542	100.0
994.36884	23.0
1025.39099	55.3
1026.39233	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	1019.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	10.8
72.01732	0.1
72.99314	1.9
83.01395	0.1
87.00886	0.2
89.02454	1.4
93.03474	0.3
98.20639	0.1
107.01406	0.2
115.00390	32.8
116.00723	0.6
117.03471	0.1
119.05044	25.2
120.05385	0.9
121.03023	0.1
132.02197	0.1
133.01451	100.0
134.01791	1.8
135.00937	0.1
145.02980	0.1
148.30058	0.1
151.00388	0.4
153.00618	0.0
163.04027	31.3
164.01382	0.1
164.04361	1.2
169.01433	0.1
178.99890	0.2
187.03932	0.1
189.05605	0.1
189.24411	0.1
200.04681	0.1
211.04012	0.2
227.03506	4.0
228.03880	0.3
229.05086	0.2
237.09131	0.1
239.10745	0.1
255.02980	8.5
256.03561	0.9
257.04483	0.2
279.05096	8.4
280.05420	0.4
283.02435	0.3
283.09772	0.2
284.03253	12.9
285.03903	2.7
286.04346	0.2
326.04175	0.1
327.05344	0.1
327.08755	1.6
328.09039	0.2
331.00198	0.1
443.09720	0.4
444.09921	0.1
559.10669	0.2
575.13745	0.1
739.21057	16.8
740.21313	3.0
792.08118	0.1
967.64722	0.1
1041.64124	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	1017.386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	9.5
71.71978	0.6
71.72386	0.5
73.02953	3.0
74.18021	0.5
74.28809	0.5
80.05060	1.8
82.02977	1.2
83.01382	1.7
83.86459	0.5
85.02951	5.1
86.00092	0.5
87.00871	3.6
89.02454	3.7
92.05047	0.6
94.02993	17.3
94.06632	18.3
95.01394	1.1
96.04559	2.1
97.02992	0.7
99.00882	1.2
101.02469	6.4
104.05058	1.0
106.06637	24.9
107.06986	1.2
108.04571	4.0
115.00380	0.7
119.03509	1.7
120.07384	0.6
120.08214	10.1
122.06126	3.9
124.04067	0.8
124.07710	13.2
124.08621	0.7
125.02544	0.5
131.03516	2.8
132.04567	2.3
134.06139	1.4
136.04050	3.7
136.07732	0.5
137.04810	1.1
138.05632	8.7
143.03548	0.8
146.06148	0.7
147.24731	0.6
148.04095	0.8
148.07715	0.9
150.05606	3.2
152.07169	1.5
158.02492	1.3
158.06113	0.9
159.03043	0.9
160.04057	1.2
161.04601	4.1
164.07124	1.1
168.06680	21.9
169.06949	0.7
174.05615	1.6
174.09308	0.8
176.03534	0.9
179.05626	0.7
180.06688	2.8
182.08281	1.2
186.05711	0.6
190.05104	4.7
195.09236	0.7
196.03778	1.3
197.10867	1.1
197.65611	0.5
200.14325	0.6
210.07782	0.8
211.06075	1.4
213.10283	1.3
214.08525	0.6
215.11835	1.8
217.13538	0.8
221.06660	3.1
221.10823	4.1
223.08762	4.6
223.12456	0.6
224.09514	1.5
225.10315	1.0
227.11952	0.8
235.08745	2.2
235.12416	1.6
236.09439	1.7
237.10329	6.2
238.10973	2.6
239.08485	0.6
239.11884	5.1
241.09941	1.0
241.13390	1.0
243.11334	1.9
248.09523	1.2
249.06639	2.9
249.10307	6.2
250.07393	1.7
250.11005	1.3
251.08197	4.6
251.11862	6.2
252.08739	0.8
252.12523	1.2
253.09821	1.2
253.13402	0.7
255.02956	1.3
257.12885	1.6
261.10269	1.8
262.07407	2.6
262.11011	0.6
263.08221	10.1
263.11761	4.4
264.08975	11.3
264.12494	2.0
265.09756	7.9
265.13406	3.0
266.10156	1.1
267.11411	3.3
269.13004	0.8
271.10895	1.5
275.08139	2.5
275.11829	1.4
276.09076	5.7
277.09833	17.3
277.13019	1.1
278.10492	6.6
278.13931	1.2
279.11368	20.9
280.12103	5.4
281.09314	1.1
281.12714	1.5
283.10840	1.6
284.03241	1.6
285.04016	2.2
285.12469	2.7
289.09808	2.4
290.10565	3.0
291.11389	15.7
292.12045	8.5
293.09689	0.6
293.12805	3.1
295.10870	2.3
295.14035	0.7
296.11407	0.8
297.12451	2.6
301.12064	1.2
303.11374	2.0
304.12100	1.6
305.09344	4.7
305.12964	4.4
306.10129	1.2
306.13608	5.3
307.14117	0.8
311.14017	0.7
314.12997	1.9
316.14554	2.0
317.09451	0.9
318.09912	0.9
323.10403	3.6
324.11249	5.4
325.11905	1.8
326.12946	1.0
327.13535	2.0
328.14774	1.3
329.15335	1.0
330.16168	1.3
332.11368	0.8
334.15781	1.0
336.11185	3.3
337.11905	1.5
340.14462	1.2
342.12350	0.6
342.16238	2.9
344.14008	0.9
344.17755	2.3
346.15680	1.1
349.11938	1.0
350.12598	1.6
353.11523	1.2
354.11987	1.0
354.15976	0.7
355.13184	1.1
356.13821	0.9
356.17688	2.0
358.15662	2.7
358.19452	0.9
359.16501	1.0
360.13367	1.8
360.17142	1.3
368.14017	2.1
369.14716	2.2
370.11469	0.8
370.15598	7.7
370.19537	0.7
371.12216	0.6
371.16129	1.4
371.20126	0.9
372.13080	0.8
372.17133	1.4
374.18817	2.9
375.19342	0.7
376.16476	1.7
376.20639	1.0
381.14868	0.6
382.15674	1.9
383.16150	1.6
384.13058	0.5
384.17227	6.6
385.17862	1.7
386.15027	1.5
386.19162	0.8
387.15604	0.9
388.16605	3.3
389.17108	0.6
396.17206	2.3
397.17694	2.3
398.18863	7.4
399.19534	7.8
400.16669	1.9
401.17477	1.0
402.13818	1.1
402.18277	2.3
410.14905	0.7
412.16794	0.9
414.18256	2.4
415.18961	1.7
416.20139	5.5
417.20572	3.1
418.17401	1.3
420.19348	1.3
424.16617	3.1
425.17493	12.5
426.18314	2.6
428.16171	2.4
429.16177	0.7
430.17834	1.5
431.18289	2.3
441.17395	0.7
442.17661	11.0
443.18488	64.5
444.19043	12.0
446.17120	1.0
460.18768	4.4
461.19556	31.6
462.20337	8.9
464.17850	0.6
471.23834	0.7
486.16647	1.2
487.17337	2.5
488.18042	0.9
495.24008	1.8
497.22385	0.8
509.22177	0.6
513.25220	1.0
518.19537	0.9
521.21808	4.0
522.22565	1.0
537.24646	0.7
538.22083	0.9
539.22955	7.9
540.23657	1.0
557.24084	3.4
558.24292	0.8
563.23254	2.3
564.22864	0.6
581.24066	4.7
582.24402	0.7
583.21960	2.4
589.26538	0.8
593.15125	2.3
594.15564	1.6
595.16034	1.1
599.25299	6.7
600.25299	0.8
615.24628	3.0
617.26172	4.7
625.23462	2.8
631.27924	1.1
643.24237	9.4
644.24597	1.7
649.28998	1.4
657.25372	0.7
675.26349	2.9
784.30591	1.2
828.28271	2.3
829.28937	1.7
860.31171	5.0
861.31274	1.3
925.33643	13.1
926.34259	3.7
957.36700	25.6
958.36707	7.6
967.35022	13.6
968.35529	3.8
984.35211	0.9
985.36053	100.0
986.36298	27.5
999.37708	16.8
1000.37506	5.0
1017.38568	79.6
1018.38788	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	1009.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.8
71.49769	0.1
71.50084	0.1
83.01392	0.6
83.05051	0.2
85.02974	0.3
89.02457	0.6
91.01937	0.2
93.03478	0.2
93.07127	0.2
95.01376	0.1
96.87527	0.1
101.02454	0.6
107.01409	1.4
108.02188	0.7
109.02950	0.6
113.02451	0.2
116.14876	0.1
121.02959	0.9
125.02483	0.3
133.10254	0.1
135.00894	0.2
145.06613	0.3
148.01666	0.5
149.02409	0.2
151.00392	6.0
152.00700	0.1
153.01915	0.1
157.06638	0.1
157.10112	0.1
159.04518	0.2
159.08183	0.3
160.07712	0.2
160.08969	2.8
161.09258	0.2
163.00386	1.3
164.01157	0.3
167.99120	0.1
169.01433	0.5
173.09764	0.4
175.11299	4.2
176.11658	0.3
178.99883	3.2
180.00232	0.1
183.04504	0.1
190.02776	0.2
190.99947	0.2
193.01392	0.2
198.03276	0.1
199.04012	0.3
199.22835	0.1
201.05627	0.2
203.03517	0.3
211.04039	0.5
213.01906	0.2
216.04274	0.3
219.10260	1.9
226.02734	0.7
227.03534	1.5
229.05016	0.3
231.02969	0.1
241.04793	0.1
243.02986	4.5
244.03571	0.5
245.04462	0.8
251.39331	0.1
254.02174	1.1
255.02982	14.1
256.03357	1.0
257.04596	0.2
266.02167	0.2
271.02466	28.8
272.02914	2.7
273.03989	0.7
283.02393	0.7
299.02084	0.7
300.02759	62.0
301.03470	26.3
302.03845	1.6
305.19714	0.1
313.03442	0.1
343.04587	0.4
355.13605	0.1
399.16614	6.0
400.16748	0.6
609.14740	100.0
610.15076	14.5
964.97656	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	1007.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.2
71.66093	1.1
71.66444	1.3
72.00905	1.5
73.02934	1.1
73.04068	1.3
74.02478	10.2
80.05050	1.1
85.02956	1.0
87.05646	11.1
101.02475	1.5
108.08135	0.9
110.02488	2.9
113.02373	1.2
113.07224	23.0
114.05640	1.9
116.05081	23.4
121.93375	0.8
123.15604	0.7
125.07231	2.1
126.09270	1.5
129.05803	1.3
129.06723	18.3
129.10361	14.0
130.08768	1.2
135.05583	0.9
136.04070	1.1
139.08754	2.0
140.07224	4.0
141.10376	0.9
142.06630	7.2
142.89029	0.8
143.11926	5.4
144.07791	2.7
151.07712	0.9
151.08788	3.8
152.07159	1.2
152.08305	1.8
153.06708	9.7
153.10304	1.1
155.08282	6.5
155.11937	1.8
159.09288	8.9
166.34148	0.8
168.07806	1.5
168.11447	2.9
169.06210	1.6
169.09880	3.1
170.09349	4.6
171.07758	1.1
181.13472	2.7
186.05534	1.1
186.08862	1.6
186.12503	1.2
187.10878	3.4
195.15010	1.0
196.14543	2.3
203.08267	28.7
204.08635	1.3
207.08884	0.9
207.15015	3.4
208.13293	1.7
209.12973	5.7
215.12929	0.9
222.16110	0.8
224.17662	1.6
225.16029	1.9
226.15544	5.0
238.15588	2.6
239.15234	1.7
242.18712	3.1
248.14125	0.9
249.13553	9.2
250.11980	2.9
256.20236	2.9
265.16888	1.1
266.14987	0.8
267.14642	4.3
272.17603	7.1
278.22324	0.9
281.16055	2.4
283.17606	0.9
296.85803	0.9
298.15149	0.9
299.17200	3.4
316.16653	3.2
321.22754	4.3
322.15253	1.2
353.25797	5.5
362.22162	0.9
365.25809	0.9
376.63251	0.8
385.26019	3.6
396.22415	1.0
397.24435	3.0
408.91718	0.8
482.31375	8.8
526.30682	5.3
532.28735	1.4
550.29889	7.0
680.38098	2.6
921.57635	1.2
963.33813	2.3
963.53424	43.8
964.53833	10.9
1007.56000	100.0
1008.56360	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	996.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	9.9
69.07055	45.3
69.31321	9.8
70.06581	6.3
71.04975	3.2
71.08616	3.5
73.02923	4.1
73.06541	1.5
78.72971	0.8
79.05489	1.7
81.03408	13.0
81.07037	11.5
83.04963	2.3
83.08602	96.7
84.04494	1.0
84.08134	1.8
85.02891	20.6
85.06523	1.4
86.09689	3.6
87.00821	6.4
87.04451	19.7
89.06012	100.0
93.07024	2.0
95.04958	3.6
95.08591	9.9
97.02875	8.4
97.10151	42.4
99.04456	4.7
99.08080	2.3
101.06003	1.3
103.07593	2.3
105.01842	5.7
105.87116	0.9
107.07038	3.0
109.02855	11.8
109.10136	7.3
111.04428	1.6
111.11685	3.5
113.06026	1.6
113.09692	0.9
117.09109	5.9
120.08081	1.3
121.06527	1.0
123.11660	4.2
125.13243	4.5
127.03884	12.5
129.10222	1.0
130.08603	2.1
131.03459	0.9
131.07022	8.3
133.08577	91.0
137.13252	2.9
139.14786	2.4
145.04939	2.4
155.14290	1.0
157.15810	1.4
159.02921	4.3
161.11714	1.3
167.07011	1.5
175.09630	10.3
177.11192	48.7
178.11501	1.0
179.12843	1.5
179.17958	3.1
197.19009	3.3
201.18445	3.6
211.20346	1.1
215.20024	13.0
219.12204	5.2
221.13805	13.2
223.15347	1.4
231.04953	2.5
237.13257	1.3
239.14902	4.0
241.21609	1.3
255.23189	6.1
257.07602	0.8
259.22668	7.0
263.14587	0.9
265.16403	2.4
273.24280	3.1
283.17401	7.3
289.09097	4.0
299.25656	1.5
303.76581	1.0
309.19067	3.9
311.20517	0.9
327.20123	5.6
339.04523	0.9
353.21506	4.3
371.22635	3.7
397.24353	4.0
405.31866	1.0
415.25296	9.2
417.08179	0.9
441.26764	5.0
447.30908	1.0
449.34976	1.0
455.28381	1.9
459.27924	27.4
460.28369	1.2
473.29449	2.4
485.29224	1.3
499.31061	10.8
503.30573	11.4
517.32062	6.5
543.33740	4.9
557.35211	4.5
713.50378	17.6
714.50641	1.1
731.51239	7.5
981.63959	1.2
996.59229	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	997.6235
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06552	0.2
71.06984	0.1
71.07365	2.0
71.60763	0.2
77.03452	0.1
81.07041	0.4
83.08574	0.1
86.09692	25.8
87.10030	0.2
91.05456	0.1
93.07045	0.1
95.08599	0.2
98.98439	1.9
98.99030	0.1
104.10726	2.5
105.07011	0.1
106.77565	0.1
124.99982	16.6
143.01006	0.2
166.02621	0.2
184.07310	100.0
185.07634	0.7
240.96597	0.1
258.10980	0.2
309.23572	0.1
337.27380	0.2
502.32877	1.8
520.33905	27.5
521.34296	1.1
592.36395	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	1001.392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01038	1.1
71.01399	13.7
72.99323	0.9
73.02954	4.3
78.95907	3.2
79.95728	1.3
80.05056	1.0
82.02982	1.2
83.01395	1.5
85.02953	6.4
86.00115	1.1
87.00908	4.1
89.02454	4.7
94.02995	16.0
94.06609	0.8
95.01410	1.4
96.04533	1.6
96.96021	13.7
96.96967	2.9
97.86861	0.6
99.00881	1.7
101.02450	9.3
104.05025	1.1
106.06647	6.7
108.04549	2.3
108.08206	43.2
109.08572	1.2
113.02464	7.4
113.86726	0.7
115.00392	1.1
119.03559	1.0
120.08200	7.6
122.06129	1.6
125.03580	0.6
128.03534	1.3
131.03499	2.7
132.04579	2.1
133.01437	1.0
134.06110	1.6
135.04515	1.0
136.04027	2.3
136.07690	1.9
138.05618	5.5
143.03629	0.8
144.65723	0.8
146.06120	1.2
148.07695	1.2
149.04576	0.9
150.05676	0.9
150.09187	0.9
152.07191	26.8
153.07576	0.7
159.02997	1.0
160.04085	1.3
161.04614	4.6
161.42235	0.8
164.07103	2.0
165.02055	0.6
166.08698	2.1
174.05640	0.9
175.02542	1.4
179.03503	0.8
190.05074	4.6
213.10336	1.1
215.11887	1.1
221.06538	3.5
221.10860	3.1
223.08771	3.4
224.09570	1.0
225.10254	1.4
228.05713	0.7
235.08777	2.3
235.12268	0.9
236.09512	2.0
237.10303	5.1
238.11098	1.6
239.11838	4.0
241.09827	0.8
243.11353	2.1
246.72755	0.7
248.09579	1.7
249.06642	3.0
249.10345	5.9
250.07335	1.0
250.11046	1.4
251.08250	2.3
251.11882	5.6
253.09634	0.8
253.13437	1.1
257.12970	1.3
259.10886	1.3
261.10272	2.4
262.07449	3.0
262.10834	0.8
263.08206	15.5
263.11786	4.1
264.08994	9.1
265.09793	7.8
265.13361	1.1
266.10602	1.0
267.11374	1.9
268.08484	1.5
269.12878	1.7
271.10818	1.4
275.08264	1.8
276.08984	8.0
277.09793	19.7
278.10446	6.5
279.11365	11.9
280.12009	2.9
281.12854	1.8
283.10822	0.9
285.12402	2.1
289.09814	1.9
290.07349	0.9
290.10580	3.8
291.11380	15.7
292.12036	4.5
293.12872	2.9
295.10822	1.3
305.09329	5.2
307.10931	0.9
310.09628	1.3
311.10492	0.9
311.13980	1.5
314.12811	1.6
316.14444	2.0
317.09363	1.5
318.09988	1.1
320.09396	0.9
323.10461	1.7
324.11160	2.0
328.14362	2.0
337.11880	2.5
337.42004	0.8
341.11102	0.8
342.16293	1.4
343.16833	1.0
344.17685	1.7
355.13000	1.0
356.13895	1.6
356.17783	1.7
358.15521	2.4
358.19266	4.5
359.20044	1.0
360.13528	1.6
360.20569	1.0
370.15445	5.3
370.19290	1.3
371.16287	2.1
372.17267	3.7
373.13867	1.1
376.16629	1.2
382.19406	0.9
383.16318	0.8
384.17203	5.8
385.17923	2.7
386.18704	3.1
398.18872	6.3
399.19504	8.5
400.20383	6.9
401.21188	4.3
402.14053	0.8
404.19507	1.5
412.16522	1.6
414.18643	1.3
426.18265	14.6
427.18985	67.7
428.19565	11.4
430.00278	0.7
430.17670	0.7
431.18106	1.4
442.17694	0.8
443.18726	1.2
444.19370	4.1
445.20041	25.8
446.20822	7.1
447.20651	0.7
448.18567	0.8
455.24121	0.9
456.15906	0.8
458.20807	1.2
459.17935	1.5
470.17374	4.6
471.17969	5.2
472.18875	1.6
479.24741	1.0
481.22498	1.5
495.23679	1.4
497.25641	0.7
523.23462	15.2
524.23901	2.1
527.23199	0.9
528.24365	0.9
537.24548	1.0
541.24225	1.9
547.23712	1.0
565.24811	9.2
566.24835	1.3
567.22296	3.7
583.25726	6.1
584.25885	1.0
599.25177	2.2
601.26843	4.7
602.27045	0.8
609.23425	3.6
615.28412	1.4
627.24658	11.1
628.25098	2.1
659.27301	2.7
812.29132	3.2
813.30890	1.9
844.31860	3.9
909.34277	13.5
910.34912	3.3
925.37177	1.6
941.37030	22.6
942.37091	5.5
951.35553	14.5
952.35962	3.1
969.36566	100.0
970.36884	22.8
983.38000	16.8
984.38739	3.0
1001.39069	56.9
1002.39355	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	985.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42525	0.6
69.03407	3.8
69.07061	0.6
70.06586	2.9
79.05467	2.4
80.04979	0.8
81.03396	1.9
81.07022	0.8
82.06552	0.8
85.02882	8.9
86.09673	0.9
91.05458	2.7
93.05765	0.8
93.07033	3.1
94.06545	6.8
94.43444	0.6
95.04946	1.1
95.07333	3.9
95.08563	0.8
96.04454	0.7
96.08105	9.0
97.02888	4.2
97.06510	0.6
103.05455	0.7
106.06534	2.6
107.07316	1.6
108.08098	13.7
109.02891	0.8
109.08858	0.7
110.09660	13.2
113.49861	0.6
118.06496	1.4
120.08086	12.4
122.05994	5.4
122.09621	2.0
124.07554	5.8
127.03871	2.1
128.71529	0.6
132.08046	1.9
134.05992	5.3
136.07550	18.5
138.09114	85.7
144.04414	2.1
145.04962	1.2
146.05988	9.3
146.09555	0.8
148.07555	10.7
150.05482	2.1
150.09135	3.5
152.07033	25.2
158.05963	0.6
160.03975	0.9
160.07518	1.1
162.05463	2.4
162.09125	0.6
164.07043	17.3
165.07829	0.9
166.08623	10.8
172.03903	12.0
172.07515	0.7
174.05498	1.6
174.09128	1.6
176.07030	5.4
178.08621	0.8
178.88853	0.6
180.10185	0.8
182.08119	6.1
182.09583	1.1
185.57329	0.7
190.04955	8.2
190.08543	0.9
192.06499	1.0
194.08125	2.2
197.10672	1.1
198.11400	1.2
204.06529	16.3
209.10712	2.5
210.11479	19.3
211.12175	4.0
212.09297	1.2
213.10141	1.3
218.08176	3.1
221.10793	1.9
222.11392	1.1
223.12154	4.4
224.09380	1.9
224.12976	1.1
225.10204	6.9
225.13770	1.5
226.10971	2.2
227.11717	4.6
227.41263	0.7
229.13246	0.9
235.08510	0.7
235.12192	2.9
236.09424	1.3
236.12975	1.3
237.10167	10.3
237.13835	2.3
238.10959	9.0
238.17802	1.1
239.08118	1.4
239.11743	9.0
239.15456	0.7
240.12498	0.8
240.19888	0.7
241.09755	1.8
241.13315	1.2
243.11145	0.6
245.12842	1.3
246.07635	0.9
247.12091	1.0
248.09436	3.4
249.10204	5.8
250.10844	7.7
251.08182	1.4
251.11757	12.9
252.08871	1.2
252.12566	4.3
253.09703	2.1
253.13324	5.6
255.11328	3.2
256.12112	0.8
257.12729	1.5
261.10141	0.9
262.10989	2.9
263.07761	1.0
263.08719	1.1
263.11752	19.6
264.08835	3.1
264.12442	4.1
265.09723	8.2
265.13342	10.4
266.10446	3.8
266.13864	0.8
267.11218	15.3
267.13962	1.1
268.11975	3.5
269.12799	19.2
270.13339	1.4
271.10812	5.1
271.14240	5.8
273.98914	0.7
275.11639	1.3
277.09726	3.3
277.13290	2.7
278.10428	4.9
279.11230	51.0
280.11938	4.3
281.12842	6.9
282.09933	1.8
282.13586	5.7
283.10724	4.7
283.14069	1.2
284.11523	10.6
285.12299	16.6
287.14203	1.0
289.15482	2.5
291.11237	7.9
292.12054	1.4
293.09122	6.2
293.12802	7.4
294.09912	1.3
294.13455	2.3
295.10745	4.1
295.14240	1.5
296.11530	7.1
297.12280	84.6
298.13013	4.0
299.13812	3.3
300.14523	0.9
303.11084	0.8
304.12094	0.8
305.12741	0.8
307.10690	2.8
308.11276	0.7
309.12286	44.8
310.12973	13.2
311.10184	7.3
311.13837	4.8
312.10651	0.9
312.14227	0.7
313.11676	3.0
315.13397	4.3
316.14258	1.2
319.10562	4.3
320.11475	1.4
321.12292	18.2
322.12808	1.0
323.10257	6.9
323.13803	1.4
324.10883	1.2
325.11774	10.3
326.12570	1.2
327.13397	5.3
328.14359	1.8
328.17920	0.7
329.14883	5.1
330.16101	1.1
335.13525	0.8
337.11722	24.9
338.12509	11.2
338.16376	1.1
339.13324	18.7
340.14117	1.7
341.11340	2.5
341.15085	1.0
342.16083	1.7
344.13748	0.9
351.13467	1.0
355.12958	1.8
356.13635	0.8
357.14548	5.8
358.15344	2.7
359.16257	1.1
360.16891	2.1
362.18579	0.9
363.13412	0.7
364.14127	0.9
369.14377	52.7
370.15149	6.7
371.15948	20.7
372.16763	1.9
372.20679	1.7
373.13870	2.7
374.18707	1.6
381.14670	0.7
384.17084	1.3
386.18716	1.0
388.16330	3.3
389.17462	0.9
390.18152	1.2
392.19339	2.8
399.16077	0.8
400.16467	4.9
401.17447	0.9
402.17902	2.8
404.19705	2.8
406.17465	1.4
408.19107	1.1
412.16296	1.8
413.17191	0.8
414.18082	2.0
416.19904	5.5
418.17328	5.2
421.19928	8.2
422.20642	8.0
424.16632	1.7
430.17529	7.0
432.19077	3.3
434.16183	0.8
442.17496	5.1
444.19147	4.0
446.20703	6.6
447.17349	3.0
448.18604	36.4
449.19302	3.6
450.20294	3.3
460.18588	57.1
461.18936	2.2
462.20151	4.6
463.20901	3.2
464.21695	0.9
465.18860	0.8
466.19577	2.8
470.17047	2.4
472.18579	3.9
474.16473	2.1
477.36685	0.7
478.19412	3.0
480.21231	32.3
481.21719	1.0
488.17920	2.5
490.19586	1.7
491.20667	0.8
492.21222	100.0
493.21671	3.1
494.23080	6.1
495.23593	5.3
506.19159	2.1
507.19736	0.7
508.21005	0.9
520.20752	2.0
538.21686	2.6
539.21814	0.9
567.25983	10.5
585.26971	52.0
586.26941	2.2
593.23511	2.0
599.28503	1.0
611.24963	16.6
612.24744	0.7
617.29620	24.3
618.29773	1.3
622.23450	1.0
629.25977	19.4
643.27368	8.3
644.27924	0.8
661.29144	4.0
711.30951	0.7
747.32385	0.9
755.29858	1.0
773.30383	3.1
784.28802	1.9
791.30676	1.4
812.28534	1.4
813.28503	0.8
823.33411	0.8
830.29980	0.9
831.30566	0.9
935.34821	2.4
953.35254	1.7
985.37976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03369	0.7
69.07032	0.8
70.06577	2.3
70.47042	1.5
71.04923	0.7
72.08117	0.4
79.05450	0.5
81.03364	0.6
81.07036	2.8
82.06510	0.5
84.04436	0.6
84.08099	0.4
85.02885	2.4
85.06490	0.4
86.09644	0.9
87.04406	0.4
89.06026	1.7
91.05402	0.7
93.05739	0.4
93.07045	1.6
94.06552	2.9
95.04912	0.5
95.07283	1.4
95.08585	4.0
96.08117	3.0
97.02863	0.8
103.05437	0.3
105.06931	0.5
106.06450	0.9
107.07296	0.6
107.08572	0.3
108.08095	5.5
109.02800	0.5
109.10077	1.2
110.09657	4.7
116.04900	0.8
117.09059	0.3
118.06471	0.5
119.08491	0.4
120.04443	0.8
120.07362	0.4
120.08072	4.5
122.05989	2.9
124.07591	3.0
127.03870	0.8
129.10187	0.4
133.08507	1.4
134.05911	1.0
136.07538	1.7
138.09111	32.7
144.04416	1.6
145.04962	0.5
145.06262	0.3
146.05984	2.9
148.07463	1.0
150.05318	0.3
152.06979	1.2
155.14240	1.2
158.09496	0.4
160.03931	1.6
162.05414	1.5
164.06992	1.7
167.06995	0.4
169.15775	1.4
172.03896	9.5
172.07474	0.4
174.05438	1.2
175.06151	0.5
176.07048	3.4
177.11157	0.6
178.04880	0.4
182.08092	0.7
183.09128	0.5
190.04945	4.5
196.09830	0.7
197.10619	0.8
199.08615	0.9
199.12222	0.5
204.06523	17.4
209.10690	0.7
210.09114	0.7
210.11374	0.4
211.08617	2.6
212.09325	0.8
213.10124	1.3
221.10735	0.3
222.07623	0.5
223.08560	1.0
223.12173	0.4
224.09254	0.9
225.10159	4.7
226.10767	0.6
227.11731	4.0
235.08649	0.4
236.09430	1.0
237.10176	2.3
238.10956	1.4
239.11777	5.0
241.09753	1.5
241.13223	0.7
248.09033	0.4
249.10320	1.7
251.08075	0.8
251.11722	2.7
252.08647	0.7
253.09653	2.9
253.13344	0.5
254.10391	0.5
255.11134	0.8
261.10233	0.5
262.08591	0.5
263.08105	1.0
263.11716	0.4
264.08890	1.3
265.07211	0.5
265.09689	2.4
265.12814	0.3
266.10483	0.7
267.11301	2.7
269.09540	0.6
269.12802	5.2
271.10675	2.6
277.09628	2.1
278.10608	0.6
279.11160	3.2
281.09317	0.6
281.12549	0.5
283.10727	7.8
284.11469	5.2
285.12268	2.7
286.13126	1.3
287.13852	4.6
289.09686	0.5
289.13235	1.3
291.11203	0.9
293.12756	0.5
295.10706	2.2
297.12292	12.5
298.12991	0.4
299.13998	1.0
300.11340	0.5
300.14673	0.4
301.12347	0.6
305.09119	0.8
309.12189	0.4
310.13290	0.6
311.10208	0.5
311.13928	1.0
312.14954	2.8
313.12289	1.0
314.12808	1.8
315.13577	2.0
316.10849	0.5
316.14383	1.4
319.10654	0.7
321.08630	2.2
323.10184	3.6
325.11697	0.6
326.12943	0.6
326.16455	2.7
327.13989	0.9
327.17252	2.2
328.10703	1.4
328.14429	2.4
329.11298	0.4
329.15042	5.5
330.12399	0.5
330.15714	2.6
331.16669	0.7
337.11655	1.1
338.12939	0.7
340.14362	1.0
341.11423	2.2
342.12396	5.6
342.16071	1.0
343.13049	1.7
343.16705	0.7
344.13797	1.2
344.17557	1.8
352.14316	1.0
353.12668	0.6
354.12451	1.5
354.16278	0.7
355.13016	2.0
356.13858	7.5
356.17035	0.4
357.14685	3.4
358.15439	7.5
360.17264	0.4
366.16040	1.1
368.13870	0.6
368.17636	0.7
369.10840	0.6
369.15231	1.2
370.11551	1.2
370.15466	5.6
371.16446	2.5
372.17072	2.1
373.13788	2.1
374.18488	1.2
380.13870	0.8
382.11649	4.8
383.12582	3.6
384.13293	8.4
384.17386	0.6
385.13974	3.8
386.14755	1.2
386.18796	7.4
387.15384	0.5
388.16919	0.5
390.18069	1.0
394.15424	1.5
396.12729	0.6
396.17133	1.0
397.14471	1.6
398.10583	0.5
398.14914	25.7
399.15692	51.5
400.16223	2.5
401.13565	0.6
402.13763	0.7
402.18774	1.7
404.16156	2.4
412.16565	3.0
414.13593	0.4
414.18259	4.9
415.15967	1.2
415.24924	0.6
416.15927	7.5
417.16730	1.6
418.17404	0.3
422.14786	1.6
428.15970	0.9
430.17572	6.8
431.18234	2.1
440.15976	7.1
441.15411	0.4
443.14761	0.6
446.17004	6.5
447.17844	0.4
457.16110	0.4
458.17029	71.3
459.17303	2.0
472.18600	2.2
477.36520	0.7
478.19687	9.3
490.19629	100.0
491.19986	2.5
499.23459	0.5
541.24115	0.4
565.24481	1.9
567.22406	0.4
583.25409	44.0
584.25800	1.4
597.26953	0.8
609.22968	2.1
615.28009	15.9
627.24048	0.6
641.25745	3.2
659.27026	1.0
933.33575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99767	0.9
69.03423	9.6
69.07058	58.7
70.06573	6.2
71.04989	3.0
71.08620	2.3
72.08141	1.1
73.02892	1.3
73.06528	4.0
75.37670	0.8
79.05473	1.1
81.03403	7.9
81.07040	10.1
83.04978	1.3
83.08606	68.5
84.04485	1.8
84.08125	2.9
85.02892	14.0
85.06531	1.9
86.09697	3.5
87.00832	4.8
87.04455	20.7
89.06017	100.0
90.06439	0.9
91.05485	1.3
91.07542	0.9
95.04984	1.6
95.08588	6.6
97.02879	5.3
97.10150	14.3
99.04440	2.7
99.08102	1.2
103.03898	0.9
103.07555	1.7
105.01856	3.4
107.07061	3.7
108.08042	0.7
109.02868	8.8
109.10154	5.1
111.04406	1.5
111.11733	0.9
113.05970	1.4
117.01808	1.3
117.09077	4.8
119.08566	0.9
120.08094	2.1
123.11689	4.3
125.13235	6.8
127.03918	7.8
129.01785	1.1
129.10191	1.4
130.08627	4.2
131.07031	8.2
133.08583	87.8
134.08954	0.8
135.10196	1.1
136.07605	1.2
141.12723	0.9
143.14328	2.3
145.04980	1.8
147.02888	1.0
157.08510	1.1
159.02896	2.4
159.10069	0.8
161.11711	2.3
161.23654	0.9
165.16368	1.3
175.09660	10.5
177.11200	47.6
179.12756	0.9
179.17963	1.1
183.17456	2.2
195.12234	1.1
197.18903	1.3
201.18491	7.1
219.12207	4.2
221.13814	12.6
231.04900	1.8
237.13358	1.3
239.14883	4.1
240.19435	1.1
241.21608	7.7
259.10425	0.8
259.22699	2.7
263.14944	1.2
265.16461	3.4
283.17514	7.9
285.24081	0.8
289.09048	2.6
290.04120	0.9
309.19083	4.6
311.20605	1.1
327.20114	5.1
347.27780	1.0
351.20160	1.0
353.21667	5.7
371.22693	3.7
397.24365	3.9
415.25391	3.8
423.90088	1.0
441.27136	4.2
459.27948	19.1
485.29510	3.1
499.31146	5.9
503.30579	21.2
517.32379	4.0
543.33716	9.9
557.35217	2.2
561.34625	1.6
641.25452	0.9
659.26300	1.1
699.48834	23.6
700.48669	1.1
717.49561	5.7
982.57843	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	978.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04977	0.6
69.03398	0.4
69.07059	2.2
70.06584	3.2
71.04978	2.2
71.69817	0.2
72.89793	0.2
76.02216	1.6
76.03944	0.2
79.05479	2.3
80.05003	0.7
81.05761	0.3
81.07040	2.0
82.06567	1.9
83.04973	1.8
83.07297	0.6
83.08560	0.6
84.04501	0.8
84.08132	0.7
85.02896	3.0
86.09670	0.2
88.03909	0.2
90.04708	0.1
91.05469	4.1
92.05740	0.5
93.05735	0.4
93.06483	0.1
93.07023	2.1
94.06551	4.4
95.04965	0.7
95.07328	0.3
95.08582	1.4
97.02881	0.2
97.06455	0.3
97.08849	0.3
97.10133	0.3
98.05999	0.3
98.09652	0.3
99.05547	0.2
99.10378	0.1
105.07030	1.2
106.06525	0.3
107.07321	2.9
107.08538	1.3
108.08097	4.7
109.06441	0.4
109.08910	1.0
109.10091	0.3
110.05961	0.2
110.09667	1.9
111.04421	1.1
111.08018	0.2
112.07587	1.0
116.01611	0.6
117.06951	0.6
119.08572	1.2
120.08089	2.0
121.02824	0.2
121.06478	0.2
121.08824	0.3
121.10139	0.3
122.09656	5.2
123.08044	0.2
123.10386	0.5
124.11240	1.1
126.09132	0.2
127.03837	0.3
127.09917	7.7
129.05424	0.5
130.04958	0.2
131.08511	0.4
132.08035	0.2
133.10043	0.4
134.09644	0.8
135.10368	0.4
135.11647	0.5
136.07487	0.4
136.11214	0.9
138.09099	0.3
140.10669	3.9
141.11440	0.2
143.08495	0.4
144.01070	0.3
145.06039	0.5
145.10085	0.8
146.09607	0.2
148.11140	0.3
150.12735	0.5
152.14311	0.2
153.01762	0.3
153.06497	0.4
154.12224	0.4
159.11646	0.2
162.02190	0.8
162.12759	0.2
163.11127	0.3
164.14328	0.3
165.01784	0.2
168.13750	0.3
170.11668	0.3
173.64723	0.1
174.12753	0.3
176.10692	0.2
176.14281	0.5
178.15869	0.3
179.04877	0.8
180.13707	0.2
185.13248	0.3
190.15849	0.5
192.13779	0.5
192.17439	1.5
196.17026	0.2
199.07121	0.5
200.07317	0.1
202.15906	1.2
208.16841	0.2
211.19263	0.3
218.15366	1.7
220.16928	33.0
221.00386	0.2
221.15332	0.2
221.17339	0.6
225.05168	0.7
225.78983	0.1
226.05359	0.2
227.04655	0.2
235.92511	0.1
236.16376	1.9
238.17981	35.4
239.18315	0.9
240.19525	0.2
254.17305	0.2
256.19040	12.8
257.19519	0.2
262.18152	0.3
278.17474	0.2
280.19055	3.3
287.05453	20.6
288.05801	0.5
292.18951	0.2
298.20059	4.9
308.18341	0.2
310.20062	0.6
311.05157	0.6
322.20108	1.8
326.19482	0.4
328.07721	1.1
329.08047	0.4
336.28232	0.1
340.21054	0.2
348.21652	3.3
366.22708	21.5
367.23001	0.7
382.09253	0.2
384.23743	100.0
385.24088	2.3
402.24741	0.2
449.10788	0.5
457.11963	1.4
458.12259	1.1
530.29523	1.3
546.28955	5.0
547.29517	0.2
692.34729	4.3
832.18188	0.3
832.33777	5.7
833.33533	0.2
978.39526	17.3
979.40076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.9
69.07054	0.5
70.43787	1.6
71.01366	0.4
73.02908	2.5
73.85667	0.3
79.05489	2.6
81.03408	1.6
81.07042	1.9
83.08616	0.4
85.02892	4.5
87.04462	0.4
91.03940	2.5
91.05458	1.6
93.07034	2.4
95.04992	0.5
95.08611	1.6
97.02888	4.1
99.04469	0.9
101.02370	2.0
105.07041	1.3
105.28539	0.3
107.08598	1.3
109.02918	0.3
109.10154	0.8
119.08578	1.0
121.10177	1.1
127.03951	1.1
127.96837	0.3
129.05482	0.5
131.08560	0.7
133.10155	1.0
135.11688	0.7
145.04985	0.6
145.10091	0.5
161.13310	0.5
185.04309	1.2
200.81752	0.3
201.03796	0.4
203.05357	0.9
243.08392	2.1
259.08124	0.4
347.09473	3.2
363.09131	0.7
365.10742	1.4
405.13721	6.4
405.18954	0.2
425.22256	0.5
519.29144	4.1
535.28644	3.5
545.69806	0.3
681.34485	5.0
681.45074	0.5
697.34045	4.1
813.51324	0.7
975.56342	100.0
976.56543	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	978.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	13.0
69.25207	0.7
69.84578	4.7
70.06578	10.9
71.04954	2.1
71.41185	0.8
72.08162	1.4
73.02905	1.4
79.05493	2.0
80.05037	1.0
81.03411	11.4
81.07054	1.6
84.04497	2.4
84.08136	4.3
85.02891	21.9
86.09702	6.1
87.00804	4.4
91.05466	2.9
93.07037	2.9
94.06547	4.8
95.04947	1.8
95.07348	1.2
96.08120	5.7
97.02869	13.2
98.21635	0.7
99.04436	4.7
103.05434	1.2
105.01859	3.5
105.07059	0.9
106.06525	1.1
106.39185	0.8
107.07335	0.9
108.08093	9.8
109.02857	9.9
110.07150	1.3
110.09666	10.4
111.04413	1.1
117.01775	1.0
120.04414	4.0
120.08085	11.4
122.06023	2.2
122.09637	3.0
124.07577	2.1
127.03891	13.1
129.01796	1.7
129.10201	4.9
132.08008	0.9
136.07553	7.9
137.05978	1.8
138.05489	1.9
138.09113	25.3
145.04935	2.5
146.05968	3.9
149.05997	0.8
150.05478	2.7
150.09094	1.0
152.07033	11.7
156.04335	0.7
159.02870	3.1
159.09190	1.0
162.05479	1.1
164.07054	11.5
166.08627	2.5
170.05888	0.8
172.03926	2.0
178.04950	1.0
180.06538	1.8
182.08112	23.1
182.09749	1.2
188.07053	1.9
190.04980	3.6
192.10220	0.9
194.08127	3.5
197.10706	1.3
197.86154	0.8
204.06538	4.1
206.08020	0.9
208.09996	0.9
209.10721	1.1
211.12349	1.0
212.09328	0.8
220.16908	2.7
221.10811	0.9
222.07884	1.2
223.12347	1.9
225.10184	3.4
226.11118	0.8
227.11722	3.0
232.05933	1.2
235.08513	2.6
236.09360	2.8
237.10172	12.2
238.10890	2.5
238.18040	5.0
239.08170	2.3
239.11737	3.3
239.18573	1.2
240.19458	2.4
243.11160	0.9
245.12860	1.6
248.09277	1.9
249.10193	13.1
250.10965	4.7
251.08093	3.3
251.11797	8.1
252.08818	1.3
252.12442	1.5
252.19450	0.8
253.09657	5.5
255.11130	1.5
261.10126	5.3
262.10965	3.2
263.08279	4.3
263.11734	6.0
264.08902	1.6
265.09689	18.2
265.12466	0.6
266.10294	3.9
267.11288	7.4
269.09116	1.7
269.12781	1.7
271.10782	5.1
273.12491	0.9
275.11755	0.9
276.08655	0.9
277.09702	5.3
278.07220	1.2
278.10425	9.9
279.07742	2.8
279.11176	16.8
280.11942	4.5
281.09247	2.4
281.12860	5.3
282.13599	1.0
283.10757	4.8
283.13763	1.1
285.12436	1.3
289.09555	9.3
289.12061	1.1
290.10443	1.2
291.11365	3.8
293.09180	9.2
293.12820	15.8
294.09930	4.3
294.13367	1.7
295.10742	6.5
295.13904	1.6
296.11301	4.2
297.12241	3.8
298.09534	1.1
299.10223	1.5
302.13113	0.8
305.09146	2.8
305.12537	1.7
306.09790	2.4
307.10669	6.1
308.11395	2.8
309.09003	1.3
309.12241	6.7
310.13098	1.2
311.10178	7.2
311.13855	3.8
312.11102	2.0
313.11765	3.8
314.12552	1.6
315.13443	1.5
316.14429	1.1
317.09079	2.4
319.10608	1.1
321.12177	5.3
322.09448	1.4
323.10229	3.3
323.13864	4.1
324.11023	3.1
325.11761	6.0
326.12683	4.9
327.13303	8.2
329.11530	1.2
333.08304	0.9
335.10172	24.8
336.10770	1.3
337.11777	8.2
339.13336	100.0
340.10324	1.8
340.13928	4.3
341.11310	12.0
341.15182	1.5
344.17761	0.9
348.17239	1.0
349.11755	6.5
353.11270	18.3
353.14954	1.0
354.12091	4.3
355.12836	12.3
356.13611	1.6
358.15375	1.4
367.12823	71.1
368.13330	2.6
369.14481	1.4
370.15433	2.2
372.17090	1.5
373.13956	2.5
374.14877	2.1
375.15396	1.0
377.11176	1.2
379.12344	1.0
384.23715	2.0
386.14633	1.2
388.16263	2.5
399.15424	4.2
400.16263	1.8
402.13788	1.3
402.18298	1.9
416.15881	2.5
418.17477	1.3
432.19199	2.2
434.16788	4.9
440.15903	2.1
442.17435	3.9
444.19745	1.3
445.16351	1.5
446.20700	2.4
451.20914	1.1
456.19485	1.8
458.17075	2.7
459.17783	1.4
460.18747	8.3
462.16327	3.6
462.21051	1.4
468.15411	1.6
472.18683	3.4
474.20212	6.8
475.35342	2.2
476.35025	1.3
477.18802	5.0
477.36737	1.8
478.19620	13.4
486.16464	5.5
487.35565	1.8
490.19635	9.4
492.21194	20.0
494.19412	1.3
500.18011	5.3
502.20035	1.0
503.34775	1.2
504.17535	24.4
506.19016	3.3
508.20483	1.1
518.19189	33.6
519.19507	1.5
522.18652	64.7
523.18738	3.0
524.23938	1.7
528.17212	1.1
536.20233	43.4
537.20459	1.4
546.18787	8.6
547.18762	1.0
550.21918	6.7
554.21021	1.2
568.22876	9.9
648.21722	1.9
666.23169	4.5
708.23285	1.9
752.22992	4.8
784.24841	5.3
870.28564	2.2
896.27197	1.8
902.31897	1.4
914.28137	47.5
915.27533	3.4
928.28534	0.9
946.30621	26.3
947.31311	1.9
978.33783	10.2
978.52759	1.7
979.31506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	2.7
69.07050	0.6
69.91582	1.1
69.92004	0.6
71.01353	0.6
73.02903	2.9
79.05477	1.4
81.03421	1.0
81.07035	2.0
83.04962	0.2
85.02898	4.3
91.03939	2.8
91.05465	1.6
93.07037	2.0
95.04976	0.4
95.08587	1.6
97.02883	4.9
97.10166	0.3
98.21493	0.3
99.04443	0.6
101.02361	1.5
105.07032	0.9
107.08597	1.1
109.02906	0.7
109.10209	0.5
115.03964	0.4
118.03936	0.3
119.08591	0.8
121.10136	0.8
127.03904	1.4
131.08612	0.3
133.10179	0.4
135.11723	0.8
145.10086	0.3
185.04292	0.8
203.05235	0.5
212.03377	0.3
243.08470	1.2
245.03435	0.2
282.42239	0.3
317.20941	0.4
335.25806	0.3
347.09439	3.9
363.09100	0.6
365.10461	1.4
373.23941	0.3
405.13596	6.9
405.18359	0.5
406.14337	0.4
519.29230	3.0
535.28693	2.8
681.34485	6.8
682.35211	0.4
697.34009	5.1
769.62823	0.3
813.51190	0.9
975.56335	100.0
976.56494	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	970.6079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.9
69.06673	0.7
69.07053	12.6
71.04620	0.5
71.04973	2.8
73.02899	3.1
77.03895	0.7
77.41285	0.4
78.08308	0.4
79.05476	36.8
80.05827	0.4
81.03408	2.5
81.07037	52.4
83.04966	2.7
83.08606	7.5
85.02892	13.5
85.06518	3.3
87.04447	0.7
91.03941	7.7
91.05457	33.1
93.07024	49.4
95.04952	6.2
95.08587	43.0
96.08940	0.6
97.02283	0.8
97.02865	6.6
97.06506	3.2
97.10152	3.3
98.20712	1.0
99.04423	0.9
99.08071	2.0
101.02325	0.9
105.04501	1.2
105.07008	27.1
106.07304	0.5
107.04947	0.7
107.08569	28.6
109.02845	0.8
109.06499	2.9
109.10133	16.8
111.08060	2.9
111.11672	0.6
113.09577	0.5
115.05411	1.1
117.06995	10.0
119.08557	21.9
121.06458	0.9
121.10119	23.3
123.08024	1.9
123.11674	5.6
125.09601	1.8
127.03894	3.4
128.06213	0.9
129.05467	0.6
129.06982	3.8
130.07736	0.6
131.07047	0.6
131.08537	14.8
133.10104	19.1
134.10532	0.4
135.05309	0.5
135.07994	1.4
135.11662	15.0
137.09592	1.7
137.13223	1.7
139.11124	1.1
141.06937	0.7
143.08530	4.3
145.04933	2.9
145.10089	13.2
147.08020	0.5
147.11665	14.0
149.09573	1.8
149.13222	8.9
151.11153	2.0
155.08516	0.9
157.10112	3.2
159.11662	10.4
161.11966	0.3
161.13222	8.9
163.05978	2.4
163.11139	1.2
163.14789	3.3
165.12703	0.7
169.08577	0.5
169.10054	1.3
171.11653	4.4
173.13234	7.2
175.14767	4.1
177.12750	1.2
177.16426	0.8
179.14265	0.5
181.10117	0.5
183.11658	1.0
185.13211	3.6
187.11053	0.6
187.14769	5.7
189.12683	0.6
189.16342	0.8
195.13721	0.4
197.13318	0.5
199.14882	2.7
201.16370	1.6
203.17838	1.1
205.15833	2.1
213.16408	1.0
215.17900	1.1
217.15820	0.6
217.19554	0.5
219.17365	0.9
221.18993	1.0
223.14734	0.6
231.20995	1.1
239.17868	1.1
241.19498	6.1
243.20956	2.1
245.19017	0.6
257.18951	2.3
259.20529	16.0
261.22073	6.3
275.20056	1.3
277.18475	0.8
277.21555	12.8
293.21078	2.1
295.22559	1.1
299.23663	0.6
301.85788	0.5
315.23093	1.2
317.24734	1.3
327.26761	0.7
331.22647	1.0
333.24182	15.2
334.24405	0.4
335.25735	100.0
336.26056	2.0
337.27316	1.9
351.25220	32.5
352.25708	0.6
367.22711	0.6
387.25021	0.5
403.24435	0.7
477.28351	1.0
489.35803	0.9
519.41693	1.3
529.38831	3.8
537.42682	0.8
553.42676	1.2
557.41974	0.7
571.43323	1.9
593.45636	3.5
611.46558	50.2
612.46759	1.9
629.47693	2.2
673.42804	0.6
687.57019	0.5
719.48273	0.7
737.49701	0.9
755.50891	0.9
773.52045	1.0
855.66492	0.6
970.56781	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	970.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	4.2
69.07057	20.3
69.60381	8.9
71.04976	3.3
71.08614	1.4
73.02903	5.9
77.03934	2.6
79.05481	60.3
81.03410	3.0
81.07042	76.8
82.97464	1.2
83.04958	2.7
83.08602	11.3
84.83691	0.9
85.02886	19.2
85.06533	3.1
91.03947	12.6
91.05463	60.8
93.07029	78.7
94.07418	1.2
95.04951	10.2
95.08590	58.5
97.02871	9.0
97.06504	4.9
97.10139	5.1
98.20695	1.0
99.04411	1.3
99.08081	2.4
100.09118	0.9
103.05444	1.8
105.07014	69.7
106.07349	0.9
107.08577	43.7
109.02844	0.9
109.06508	4.3
109.09373	1.4
109.10130	26.2
111.08078	2.4
113.09637	1.5
115.05421	1.6
117.07001	22.2
119.08562	54.7
120.08868	1.0
121.06479	1.6
121.10126	32.6
123.08046	2.1
123.11694	7.4
125.09622	1.8
127.03905	4.2
128.06216	3.6
129.06995	11.4
130.07756	1.6
131.08543	33.0
131.09514	2.0
133.10109	52.7
135.08057	2.2
135.11662	23.0
137.09598	1.5
137.13266	1.1
139.11212	1.2
141.06990	3.0
142.07735	1.7
143.08514	11.0
144.09311	1.0
145.04979	5.6
145.06485	0.9
145.10100	27.8
147.07921	1.0
147.10490	1.8
147.11662	38.3
149.09627	2.6
149.13232	14.0
151.11180	1.1
155.08595	2.2
157.10110	13.3
159.11667	28.7
161.13220	24.7
163.05983	9.1
163.11113	2.2
163.14784	5.5
167.08524	1.6
169.10132	4.1
171.11668	14.1
173.13237	17.4
175.11176	1.7
175.14806	9.6
177.12788	1.8
177.16330	1.9
181.10104	2.1
183.11650	4.8
185.13196	12.2
186.88841	0.9
187.14763	7.1
189.12729	1.1
189.16357	2.5
195.11725	1.2
197.13208	3.2
199.14731	7.3
201.16400	3.6
203.14313	1.7
203.17989	1.4
209.13266	1.6
211.14810	1.3
213.16370	1.9
215.17886	1.8
231.21053	4.5
239.17995	3.2
241.19513	21.6
243.21149	4.1
257.18988	9.5
259.20538	63.1
261.22067	12.0
275.20074	1.4
277.21661	2.6
290.03766	1.1
297.21906	1.3
301.21619	1.8
313.25143	1.4
315.23022	4.5
317.24698	1.8
325.21603	1.2
331.22607	4.3
333.24191	56.6
334.24380	1.8
335.25745	77.2
336.26208	2.1
337.27133	6.3
338.01221	1.0
351.25323	1.9
353.28320	1.5
367.22632	2.8
368.53238	1.3
403.24329	1.6
420.96564	1.2
431.32568	1.1
449.33832	1.1
489.35004	1.4
495.29547	1.3
501.41125	1.8
503.37210	2.2
515.37134	1.3
519.41785	6.6
523.37805	1.1
529.39044	1.3
537.42639	3.0
541.38727	2.2
593.45593	20.6
609.45135	1.8
611.46594	100.0
612.47382	5.2
623.46698	1.8
635.46368	1.6
677.47546	1.4
689.46564	2.1
701.46924	3.4
719.47784	2.8
737.49646	4.2
755.50732	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	966.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	5.8
68.99780	2.0
69.03424	13.7
69.07058	45.8
70.06583	7.0
71.04997	5.2
71.08630	5.5
71.29947	2.0
72.74278	0.9
73.02914	2.7
73.06535	1.1
75.01183	1.0
79.05473	1.5
81.03406	16.5
81.07037	16.2
83.04987	1.7
83.08605	100.0
84.04482	2.5
84.08130	1.8
85.02886	24.1
85.06507	2.4
86.09701	3.7
87.00811	10.4
87.04463	12.3
89.06016	70.8
91.03954	0.9
91.05486	1.7
93.07051	2.1
95.04943	2.7
95.08596	13.7
97.02882	9.8
97.10151	61.6
99.04443	5.3
99.08082	3.3
101.09652	1.2
102.05496	1.1
103.03927	1.3
103.07549	1.8
105.01855	5.9
107.07057	3.9
109.02856	14.7
109.10132	9.2
111.04453	2.8
111.11694	9.5
117.09125	7.9
120.08089	2.3
121.06475	2.1
121.08632	1.2
121.98985	0.9
123.11701	6.1
124.04056	1.1
125.13244	2.5
127.03915	16.5
129.01866	1.6
129.10176	1.1
130.08627	3.5
131.07027	6.0
131.08624	1.3
133.08582	63.9
135.10126	2.9
137.13228	4.2
139.14746	2.3
145.04938	4.3
147.10146	1.2
153.16339	1.2
155.14253	1.8
157.15923	2.2
159.02879	3.9
167.07074	2.3
175.09668	5.3
177.09651	1.7
177.11205	32.8
179.17892	2.3
185.08099	1.5
191.12741	1.4
193.19629	1.4
197.18958	3.5
201.18480	1.6
201.79387	1.1
211.20549	2.7
213.03883	2.6
215.20042	13.2
219.12318	2.7
221.13756	8.4
229.21582	9.4
231.04976	3.4
239.14861	3.0
255.23109	6.8
259.22693	2.6
263.14792	1.3
265.16486	2.3
266.58768	1.0
269.24689	2.7
271.08093	1.3
273.24225	17.2
283.17438	8.3
289.09152	4.2
298.44891	1.0
309.18948	1.9
317.26950	2.5
327.20026	7.6
353.21774	4.3
367.23270	1.4
371.22717	20.4
372.23090	1.1
385.24228	1.6
391.39667	1.0
397.24362	2.3
411.25803	3.8
415.25305	16.6
429.26913	7.3
455.28491	6.0
469.30191	3.7
473.29620	4.7
487.30798	2.1
513.32764	3.2
527.34576	1.4
683.49133	8.4
701.50391	7.2
786.64203	1.1
951.35645	1.2
966.58228	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	959.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95948	0.2
70.02950	1.8
70.06570	2.0
71.59148	0.6
71.99088	0.4
72.08126	0.3
73.07693	0.3
76.02213	72.1
76.03980	5.6
79.18752	0.3
80.05007	0.8
82.06532	0.4
83.06095	2.2
84.04486	18.2
84.08117	0.6
85.02894	0.4
86.09690	0.9
86.99032	3.6
88.02195	1.4
88.03972	0.7
91.05460	99.9
92.05796	0.9
98.00612	0.4
99.05553	14.7
99.18874	0.3
101.01698	0.5
102.05524	0.5
107.06061	5.5
108.04436	0.7
108.08093	16.8
109.07607	0.5
110.07156	0.3
114.03713	0.6
116.01653	19.6
117.61521	0.3
117.97814	2.8
120.08073	0.3
123.02586	1.5
124.02158	0.5
127.05006	2.8
129.06610	1.6
130.04976	10.6
130.65398	0.3
135.05492	2.1
136.03906	1.1
137.04283	0.3
141.04774	1.3
142.03185	8.1
144.01123	11.3
145.06050	19.7
149.04216	0.3
152.98245	3.7
153.06552	19.0
154.04916	0.6
155.08134	0.5
162.02170	37.2
163.02469	0.3
164.05264	8.0
165.05537	0.4
166.06825	1.4
170.02684	3.7
174.99896	0.6
179.04814	34.8
181.06055	4.3
182.00902	2.1
184.02470	8.6
184.04051	0.5
187.05330	2.4
191.06316	2.2
199.05452	0.9
199.07092	24.4
200.07433	0.5
202.99541	0.4
208.02496	0.7
210.08736	0.3
211.07130	0.4
215.04861	1.4
216.03302	0.3
221.00446	11.1
225.05095	39.3
226.05287	0.4
227.04843	0.5
233.05867	5.8
239.06517	0.5
242.81419	0.3
245.05896	2.8
252.06810	1.0
253.04596	5.5
254.02995	1.3
256.09189	1.9
257.07758	1.3
274.10281	2.7
275.01413	0.6
291.06436	0.4
294.08997	7.2
308.09048	5.6
311.05121	22.5
328.07764	67.5
329.07999	0.9
382.08826	11.2
439.10944	1.1
440.09235	0.4
457.12024	100.0
458.12167	2.0
603.66968	0.4
633.96027	0.3
658.90741	0.3
959.50000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	84.6
69.03405	3.2
69.07056	32.8
70.06217	2.9
70.06647	2.7
71.04966	2.6
71.08606	2.7
73.02901	6.5
77.03877	1.0
79.05477	44.8
80.54623	0.8
81.03396	1.7
81.07040	96.2
82.07363	1.8
83.04951	3.1
83.08607	17.2
85.02888	29.6
85.06516	2.6
91.03396	1.6
91.03938	19.2
91.05463	26.6
93.07026	54.3
94.07343	1.3
95.04970	4.3
95.08589	78.7
96.04493	1.0
96.08892	1.1
97.02869	16.3
97.06515	5.4
97.10149	8.5
99.04428	1.9
99.08078	2.6
105.06303	1.4
105.07014	23.4
107.08573	33.9
109.02814	1.4
109.06481	1.4
109.10135	32.7
111.08022	2.6
111.11683	3.0
113.09602	1.4
115.05389	0.9
117.07004	5.3
119.08565	19.6
121.10120	28.3
123.08083	2.1
123.11687	14.2
125.09585	1.7
127.03902	8.7
129.06982	2.0
131.08539	11.0
133.10109	17.0
135.08075	1.2
135.11668	18.2
137.09586	2.2
137.13235	4.5
139.11176	1.8
143.08495	1.8
145.04945	8.2
145.10095	10.0
147.11673	11.6
149.13237	11.9
151.11102	1.7
151.14749	2.4
157.10114	1.6
159.11642	8.7
161.13234	11.9
163.05994	15.6
163.07347	1.0
163.14803	7.3
165.16338	1.4
169.10141	0.8
171.11642	2.9
173.13231	6.8
175.14780	5.1
175.28658	1.0
177.12657	1.0
177.16371	3.4
183.11586	0.9
185.13187	2.4
187.14847	4.7
189.16350	2.3
197.13306	1.1
199.14697	1.2
201.16380	2.0
205.19447	1.1
217.19530	1.0
219.20944	1.0
231.20952	1.0
233.22647	2.5
241.19620	1.1
243.21016	10.2
245.22652	3.6
259.20432	6.4
261.22089	24.3
263.23618	4.8
266.34732	1.0
278.19650	0.8
301.25113	0.8
315.22937	1.0
317.24731	5.6
333.24280	6.8
335.25739	92.6
336.26022	3.6
337.27307	100.0
338.27536	1.2
339.28961	9.3
349.27121	1.2
388.91953	1.0
453.36624	0.9
487.37637	1.3
505.38257	1.8
517.38757	1.5
519.40912	1.0
523.45087	4.4
541.45685	2.7
597.38812	1.4
597.48706	47.3
615.49731	74.0
616.50104	2.3
673.29535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93235	0.3
67.05492	52.8
68.05831	0.3
69.03416	2.3
69.07057	12.6
70.22182	1.4
71.04969	1.7
71.08634	0.7
73.02903	4.3
77.03918	0.4
79.05479	32.9
80.05818	0.4
81.03414	1.7
81.07040	54.7
82.07396	0.3
83.04970	1.3
83.08601	7.1
85.02888	18.4
85.06538	1.2
87.04456	0.4
89.60484	0.3
89.65865	0.3
91.03938	12.9
91.05462	20.3
93.06401	0.7
93.06590	0.6
93.07026	38.9
95.04954	3.8
95.08588	47.1
96.04466	0.6
96.08903	0.4
97.02875	10.8
97.06503	2.5
97.10146	3.3
99.04441	1.1
99.08067	1.2
103.05501	0.5
105.04506	0.7
105.06290	0.7
105.07009	17.3
107.08572	23.1
109.02865	0.8
109.06517	1.3
109.10135	20.7
111.08069	1.1
111.11714	0.5
113.09634	0.5
115.03908	1.0
115.05416	0.5
116.06202	0.3
117.06994	6.4
118.83060	0.3
119.08559	14.9
120.22099	0.3
121.06506	0.3
121.10122	21.4
123.08057	1.4
123.11682	8.1
125.09608	0.6
127.03876	5.8
128.06219	0.4
129.06937	1.9
131.08548	10.8
133.10106	13.4
135.08076	0.5
135.11667	15.1
137.09622	0.8
137.13210	2.8
139.11113	0.5
141.07104	0.5
143.08516	1.7
144.06570	0.4
145.04933	6.5
145.10100	9.5
147.11665	9.5
149.09636	1.0
149.13228	9.5
151.11136	0.5
151.14810	1.3
153.12794	0.4
155.08554	0.7
157.10085	1.8
159.11659	8.7
161.13216	6.4
163.05991	9.7
163.11124	0.7
163.14812	5.8
165.12764	0.6
165.16386	0.5
169.10130	0.5
171.11642	2.1
173.13235	7.3
175.14798	4.0
177.12750	0.8
177.16373	1.6
178.68158	0.3
179.14305	0.6
180.08690	0.4
183.11717	0.9
185.13239	2.6
187.14778	3.0
189.16383	1.2
191.17909	0.5
193.40126	0.3
197.13242	0.6
199.14798	1.1
201.16344	2.1
203.17938	0.9
205.15919	0.9
213.16483	0.8
215.17892	0.9
217.15915	0.3
217.19597	0.6
219.17407	0.7
225.16273	0.3
227.18082	0.6
229.19545	0.4
231.21078	0.9
233.22667	0.8
239.17865	0.5
241.17668	0.4
241.19556	4.7
243.21075	6.1
245.22638	1.2
247.20631	0.4
257.18927	0.6
259.18369	0.3
259.20520	10.4
261.22092	18.7
262.22266	0.5
263.23636	2.3
273.22040	0.6
275.23706	0.5
277.21530	0.7
279.23187	1.0
285.22083	0.4
287.23709	0.4
291.23251	0.6
295.22751	0.5
299.23685	1.3
301.25098	0.4
303.23074	0.4
305.24713	0.3
313.25287	0.6
315.23203	1.1
317.24722	3.6
321.24393	0.4
323.25845	0.7
333.24188	10.5
335.25732	100.0
336.26160	2.8
337.23257	0.7
337.27304	14.6
341.28391	0.5
347.25574	0.4
351.25800	0.4
353.27042	0.6
355.30164	0.5
355.34592	0.3
405.25946	0.4
415.32181	0.4
430.12665	0.4
437.33868	0.5
451.35114	0.5
489.35864	0.9
491.37277	0.6
503.36972	1.3
503.43073	0.7
505.38388	0.4
515.36926	0.6
517.38580	0.7
521.43317	2.9
529.39172	0.6
531.40387	0.7
539.44275	1.2
543.40192	1.4
557.41718	0.5
595.47119	19.5
596.47345	1.3
613.48151	29.6
614.48535	1.8
671.37738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	6.7
68.99788	0.9
69.03416	12.1
69.07058	58.9
70.06580	5.3
71.04970	3.3
71.08618	5.3
71.69878	0.8
72.08150	1.9
73.02900	1.9
73.06545	3.0
79.05489	1.7
81.03409	12.4
81.07040	13.8
83.04971	2.0
83.08607	100.0
84.04507	0.8
84.08096	1.0
85.02892	20.5
85.06535	2.3
86.09693	2.1
87.00809	7.8
87.04459	16.5
89.02374	0.9
89.06019	90.9
91.05499	0.9
93.07028	2.2
95.04950	2.6
95.08601	11.0
96.08089	0.7
97.02872	7.5
97.10155	36.3
99.04441	2.9
99.08074	2.1
101.05982	1.5
101.09673	0.8
103.03964	0.8
103.07561	2.1
104.05358	0.9
105.01847	5.8
105.07005	0.6
107.07053	5.1
109.02867	10.4
109.10138	6.6
111.04424	1.6
111.11692	2.9
113.05994	1.5
115.03920	0.8
115.07494	1.0
117.01801	1.5
117.09113	5.7
119.08509	0.7
120.08157	1.2
121.06448	1.3
123.11672	4.4
124.11234	0.8
125.05962	0.7
125.13249	5.5
127.03907	12.5
129.01779	1.2
129.10168	0.8
130.08606	2.7
131.07022	5.2
133.08582	72.6
135.10104	0.8
137.13196	2.5
137.15866	0.7
139.14796	4.7
143.14287	1.8
145.04927	2.2
147.02838	0.9
147.10191	1.0
157.15840	2.3
159.02818	2.9
161.11693	1.4
165.16388	0.7
167.07040	1.2
175.09630	6.2
177.11201	42.0
178.11436	0.9
179.12810	1.2
179.17854	2.9
183.17325	1.4
193.10582	0.8
197.18924	2.3
201.18462	4.3
211.20309	0.8
213.03885	1.2
215.20029	11.2
219.12233	3.5
221.13803	12.2
231.04999	1.7
235.15308	0.9
237.13155	1.4
239.14967	4.3
241.21588	1.7
255.23210	6.0
259.22665	6.1
263.14691	1.5
265.16336	3.3
267.17914	0.9
273.24060	1.9
283.17471	7.3
289.09158	4.2
299.25476	0.8
309.18777	2.5
327.20129	7.2
353.21729	3.9
371.22757	10.8
385.24091	0.8
397.24292	4.4
411.25571	2.8
415.25317	24.3
429.26541	3.1
441.26746	1.7
455.28397	9.5
459.27957	10.2
473.29770	5.6
499.31247	4.4
513.32819	4.0
669.47827	15.4
687.48895	6.1
732.35004	0.9
790.81091	0.8
952.56561	5.7
977.41772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.6
69.07044	0.5
69.55581	2.4
71.07364	4.3
71.08290	0.3
71.08626	1.7
74.93429	0.2
75.25433	0.2
81.07041	0.5
83.08629	0.4
85.10171	1.0
86.09695	41.6
95.08584	0.8
97.10133	0.3
98.21561	0.3
98.98457	1.8
104.10730	87.8
105.11045	0.5
109.10129	0.6
124.99990	21.6
135.96368	0.2
143.01028	0.6
163.01532	0.6
166.02582	0.4
181.02626	0.4
184.07318	92.9
185.07645	0.6
252.12482	0.3
258.11011	0.7
313.27310	2.4
314.75839	0.3
419.25766	0.5
478.32852	7.7
479.33011	0.4
496.33923	100.0
497.34201	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	947.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	55.0
67.34547	0.4
68.05836	0.6
69.03439	0.9
69.07058	10.2
69.94502	2.9
70.06566	0.6
71.04974	1.6
71.08603	1.0
73.02893	0.6
75.04472	1.4
77.03951	0.6
79.05484	35.0
81.03436	0.5
81.07047	63.0
82.07403	0.5
83.04977	1.2
83.08607	6.9
85.02903	0.8
85.06522	2.4
91.03960	0.8
91.05469	17.5
93.07034	48.5
95.04964	3.6
95.08594	51.1
97.02908	1.2
97.06522	3.4
97.10148	2.9
98.98454	42.5
99.08098	1.7
105.04502	0.5
105.07018	16.9
107.04955	0.5
107.08582	31.6
109.06519	2.0
109.10144	23.5
111.08070	2.0
113.09614	0.8
115.05416	0.6
116.99496	1.5
117.06998	7.2
119.05994	0.4
119.08574	14.1
119.09431	0.8
121.10131	28.2
123.08045	1.7
123.11696	11.8
125.09621	1.7
127.11187	0.6
129.05495	0.6
129.06967	0.6
131.08549	14.7
133.10106	12.6
135.08029	0.6
135.11679	22.8
137.09610	1.6
137.13231	4.5
139.11185	1.6
140.01054	0.9
145.10106	10.9
147.11664	9.9
149.09628	1.0
149.13235	17.5
151.11156	1.7
151.14838	1.7
153.12741	1.0
155.01010	12.2
157.10156	0.5
159.11678	9.7
161.13240	8.6
163.11143	1.5
163.14793	13.9
165.12752	1.9
171.11694	0.8
173.02084	7.3
173.13252	11.3
175.14848	3.8
177.12744	1.2
177.16356	4.9
179.14359	1.4
187.14806	6.3
189.16380	1.1
191.14378	1.1
201.16391	2.5
205.15869	1.8
215.17979	1.2
217.73915	0.4
219.17397	0.8
233.18933	0.6
233.22577	2.6
243.21069	30.4
245.22659	0.5
261.22113	89.4
262.22421	1.6
263.23752	0.9
279.23175	1.5
299.23730	0.7
317.24750	4.8
335.25766	100.0
336.26068	2.1
344.51813	0.5
353.26834	21.6
354.26868	0.4
415.22476	5.6
433.23502	1.6
497.31055	6.5
554.32355	0.5
608.38953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89011	0.4
69.81800	0.5
70.02946	1.7
70.06587	4.5
73.01151	0.6
76.02219	70.7
76.03989	6.2
83.06095	2.7
84.04493	17.3
86.00572	0.6
86.09696	2.4
86.99057	3.7
88.02235	0.8
88.03997	1.2
91.05467	100.0
92.05806	1.3
99.05561	14.4
101.07154	0.6
107.06062	5.0
108.08105	17.2
114.03790	0.7
116.01661	20.9
117.97816	1.6
120.08067	0.9
123.02599	1.2
127.05028	2.2
129.06586	2.9
130.04994	9.5
133.10103	0.6
135.02574	0.7
135.05528	1.8
136.03891	1.0
141.04826	0.7
142.03201	8.2
144.01115	11.5
145.06064	18.1
152.98271	3.9
153.06567	18.9
154.04990	0.7
155.08176	0.9
162.02179	34.3
164.05270	8.0
166.06876	0.8
170.02696	3.9
174.99973	0.7
179.04831	33.6
181.06061	4.0
182.00949	2.0
184.02499	8.1
187.05318	2.8
191.06329	1.9
199.07115	25.8
200.07260	0.5
208.02496	0.6
215.04857	1.2
221.00462	11.7
225.05121	40.3
228.26753	0.5
233.05943	5.1
239.06577	0.7
240.19495	1.0
245.05855	2.8
252.06772	0.8
253.04581	5.9
254.02957	1.2
256.09363	2.3
257.07611	1.0
273.75833	0.6
274.10300	2.8
291.06418	0.9
294.09021	6.3
308.09122	5.0
311.05139	20.2
328.07803	65.8
329.08051	2.0
382.08881	11.4
439.11002	1.6
457.12064	83.5
458.12436	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	940.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	83.7
69.03407	2.4
69.07054	20.3
69.46078	22.8
70.06911	2.2
71.65211	2.1
73.02908	8.0
76.97275	1.9
79.05479	61.7
81.07044	100.0
83.08594	13.0
84.56493	1.8
85.02889	32.8
85.06513	3.0
85.32066	1.9
91.03950	21.5
91.05458	35.1
93.06446	4.1
93.07030	78.5
94.16552	1.9
95.04948	6.2
95.08591	83.5
97.02872	17.7
97.06545	4.6
97.10158	5.6
97.41998	2.0
99.04433	2.1
105.07013	36.1
107.08572	42.4
109.06522	4.9
109.10139	38.6
111.08006	2.7
117.07010	12.7
117.07743	1.9
119.08552	33.8
121.10125	36.4
123.08057	2.3
123.11692	11.4
125.09556	2.5
127.03882	11.6
129.06973	3.6
131.08546	23.5
133.10112	26.1
135.11690	23.8
135.47043	2.0
137.09666	2.3
137.13229	3.1
139.11247	2.0
143.08516	3.8
145.04918	9.6
145.10107	25.5
147.11667	21.0
149.13222	14.2
157.10120	3.7
159.11684	19.9
161.13239	11.7
163.05928	13.0
163.14838	7.4
171.11655	3.6
173.13223	12.7
175.14796	5.0
185.13251	4.7
187.14825	4.7
227.17896	4.9
229.19550	5.7
241.19627	2.2
243.21237	5.2
245.18971	7.7
247.20573	12.0
259.20599	8.0
261.22125	18.3
317.24792	3.9
319.22678	8.8
321.24197	87.0
323.25772	12.7
333.24121	9.5
335.25739	83.6
337.27414	9.2
366.99878	2.5
507.41739	5.8
525.42932	2.5
581.45465	35.4
599.46606	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.1
69.03417	3.4
69.07066	1.1
70.79070	0.5
71.01356	0.8
71.04985	0.5
71.08633	1.2
71.53719	0.5
71.54075	0.4
73.02908	3.5
77.40208	0.4
79.05493	1.6
79.28654	0.4
81.03413	1.3
81.07042	2.6
83.08602	0.9
85.02898	6.6
85.10154	0.4
87.04443	0.5
91.03952	4.0
91.05486	0.5
93.07050	1.6
95.08599	2.2
97.02878	6.1
99.04471	0.9
101.02386	1.9
103.03923	0.9
107.08572	0.5
109.02885	1.1
109.10146	1.1
115.03928	1.0
119.08517	0.5
121.10168	0.7
127.03937	1.9
145.04915	0.7
149.13231	0.4
185.04192	1.3
192.01131	0.4
201.03688	0.7
203.05356	0.9
215.76132	0.5
239.44362	0.5
243.08353	2.2
248.62469	0.4
313.27539	0.9
335.25964	0.9
347.09277	3.7
363.08954	0.7
365.10596	1.4
405.13672	7.3
497.30725	6.3
519.29248	7.6
603.15491	0.5
659.36194	6.5
681.34467	7.0
731.81519	0.5
775.53070	1.7
937.58429	100.0
938.58356	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	938.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	5.7
68.75367	0.5
69.03419	6.8
69.07056	46.3
70.06568	3.0
70.30550	0.5
71.04979	1.7
71.08617	2.0
72.08131	0.9
73.02905	1.9
73.06547	3.1
79.05478	1.1
81.03410	7.9
81.07048	9.3
83.04984	0.8
83.08604	69.8
84.04471	0.6
84.08138	1.1
84.08942	0.6
85.02892	14.1
85.06542	1.5
86.09690	1.3
87.00819	6.0
87.04453	16.5
87.04974	1.1
89.06015	100.0
90.06315	0.5
90.72910	0.5
91.07568	1.1
93.07050	0.5
95.04954	1.3
95.08594	6.5
96.41653	0.5
97.02884	4.9
97.10152	18.2
99.04434	3.1
99.08076	1.4
103.07547	1.7
105.01817	2.9
105.06928	0.6
107.07044	4.1
109.02862	6.7
109.06508	0.7
109.10132	4.9
111.04410	0.9
111.11706	1.1
113.05970	0.6
113.09651	0.7
117.01855	0.9
117.09115	3.2
123.11679	3.4
125.13243	5.8
127.03906	6.9
129.01801	0.9
129.09099	0.5
130.08604	3.3
131.03377	0.6
131.07030	6.5
133.08580	80.3
134.08951	0.7
135.11778	0.6
137.13225	1.9
139.14774	1.2
141.12643	0.7
143.14270	1.3
145.04962	1.9
147.10257	0.6
147.11575	0.7
147.69704	0.5
150.72505	0.6
151.09641	0.9
159.02878	2.3
161.11725	1.3
165.09076	0.7
165.16370	1.2
175.09633	6.5
175.13252	0.6
177.11197	41.1
179.12799	0.8
179.17841	0.7
183.17442	1.7
191.12692	0.6
193.10672	0.6
195.12318	1.0
197.19031	2.3
201.18428	4.7
213.03915	0.8
215.20058	0.9
219.12190	4.4
221.13815	11.6
223.15291	1.2
231.04900	0.7
235.15010	0.6
237.13240	1.2
239.14772	2.5
241.21588	5.3
259.22607	1.4
265.16415	2.7
267.17856	1.4
281.19327	0.7
283.17432	6.0
285.24179	1.2
289.08945	1.1
309.19107	3.3
325.22180	0.7
327.20157	5.6
353.21634	4.3
371.22821	4.6
397.24182	3.5
415.25327	12.3
431.31458	0.6
435.33121	0.7
441.26978	4.5
455.28448	4.0
459.27936	26.7
460.28333	1.0
473.29401	2.1
475.34192	0.9
499.31073	11.6
513.32465	1.4
517.31744	1.6
531.95721	0.6
568.48712	0.5
655.46143	25.1
656.45813	1.7
673.47229	5.3
839.81580	0.6
938.56165	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	936.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	2.2
69.07044	2.2
69.51139	6.2
70.06575	0.9
71.08620	10.2
81.07043	4.0
83.08608	3.8
85.10148	4.8
86.09699	0.7
93.06988	0.7
93.49957	0.7
95.08595	6.8
97.10173	1.6
98.98448	4.4
109.10137	3.0
123.11644	1.3
128.99896	0.6
137.13254	0.6
142.02632	1.3
152.88266	0.7
155.00987	4.9
173.02002	0.9
198.05273	1.8
216.06349	1.8
229.28841	0.7
238.17873	0.7
239.23602	1.8
243.46606	0.7
245.22185	0.6
257.24844	0.9
278.83664	0.7
282.27884	12.5
313.27316	100.0
314.27557	3.9
393.23938	8.9
436.28156	35.7
454.29221	44.8
455.29755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57522	0.2
67.05497	1.6
69.03423	3.1
69.07067	0.7
70.06575	0.2
70.37273	1.1
70.37658	0.3
71.01357	0.5
71.04974	0.4
71.08625	0.8
73.02901	2.8
79.05472	1.1
81.03417	1.3
81.07044	2.1
83.08612	0.5
85.02896	5.3
85.07649	0.6
85.10184	0.8
87.04464	0.4
88.84476	0.2
89.83408	0.2
91.03941	3.2
91.05495	0.6
93.07035	1.4
93.12051	0.3
95.04993	0.3
95.08592	1.8
97.02873	4.7
97.10121	0.3
98.21441	0.3
99.04463	0.7
101.02357	1.6
103.03940	0.3
104.99258	2.8
105.07054	0.3
107.08595	0.7
107.96703	0.3
109.02870	0.7
109.10165	0.8
110.07147	0.3
115.03928	0.5
117.07082	0.3
119.08588	0.5
121.10170	0.5
123.11726	0.5
124.93730	0.2
127.03896	1.5
129.05539	0.3
133.10133	0.3
135.11667	0.4
142.94806	0.3
145.04936	0.4
145.10222	0.3
148.40598	0.2
156.94876	0.3
158.43082	0.2
173.13370	0.2
184.18733	0.3
185.04301	1.0
186.99464	1.5
192.44611	0.2
198.97343	0.3
203.05312	0.2
239.23859	0.3
243.08426	1.7
243.10667	0.2
264.33218	0.2
268.99988	1.0
271.97375	0.3
286.99008	3.3
287.99463	0.2
305.00174	0.3
313.27518	0.7
335.25870	0.3
347.09396	2.1
363.09055	0.3
365.10721	1.0
405.13550	5.3
405.18384	0.3
433.00839	0.3
461.20529	0.3
497.30786	4.7
519.29236	4.6
659.36023	4.5
681.34357	5.1
775.53308	1.3
877.47675	1.8
878.47546	0.4
879.48657	1.3
937.58466	100.0
938.59106	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03888	1.0
66.09543	0.3
67.05492	32.4
69.03415	2.1
69.07053	10.6
70.34304	1.6
71.04945	1.1
71.08618	18.8
72.07919	0.4
73.02901	3.1
79.05476	17.0
81.03358	1.5
81.07040	39.5
83.04950	0.7
83.08605	10.3
85.02890	16.4
85.06498	1.3
85.10166	11.9
89.05972	1.3
91.03939	10.5
91.05462	8.6
93.07025	23.2
95.04956	1.9
95.08588	38.4
96.04454	0.6
96.08936	0.4
97.02876	8.0
97.06474	1.4
97.10153	5.3
98.20863	0.4
99.04398	0.8
99.08016	1.1
99.11653	0.5
103.03914	0.4
103.05410	0.4
103.07523	1.4
105.07013	6.3
107.08571	14.7
109.02808	0.6
109.06449	1.1
109.10139	19.5
111.08024	0.9
111.11648	1.3
113.09573	0.5
115.03863	0.6
117.06980	3.1
119.07792	0.5
119.08566	7.0
121.10120	13.1
123.08062	0.4
123.11679	7.0
125.13190	0.4
127.03904	4.3
129.06898	0.4
131.08537	5.9
131.10568	0.3
133.09262	0.5
133.10120	6.1
135.11670	9.8
137.09549	0.9
137.13240	2.2
145.04944	5.2
145.10097	5.3
147.11671	4.4
149.09520	0.5
149.12048	0.4
149.13225	7.3
151.14767	0.8
159.11662	3.8
161.13234	3.3
163.05986	7.7
163.11159	0.4
163.14799	4.2
173.13243	4.7
175.14758	1.1
177.12704	0.4
177.16322	1.6
179.14244	0.5
180.08592	0.7
181.02632	0.3
181.04956	0.3
185.13148	0.4
187.14784	2.4
191.14180	0.4
201.16283	1.0
211.18776	0.4
233.22534	1.3
239.23631	3.1
243.21063	9.2
257.24796	1.8
261.22092	33.5
262.22321	0.7
279.23044	0.8
298.27408	0.6
299.23712	0.5
313.27304	100.0
314.27573	1.5
317.24646	4.6
335.25732	77.2
336.26053	1.6
450.96048	0.3
481.44092	0.4
499.45038	1.0
573.48676	44.4
574.49164	0.9
591.49780	12.3
886.84180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.8
66.48405	0.6
66.60509	0.7
67.05496	49.2
69.03410	2.6
69.07058	28.5
70.87727	1.5
70.88123	1.5
71.04974	2.1
71.08614	3.0
71.91383	0.7
73.02917	3.6
79.05481	27.9
79.15089	0.8
81.03414	1.3
81.07045	57.3
83.04980	1.6
83.08607	19.9
85.02891	21.1
85.06529	2.5
85.10159	1.4
87.04464	0.8
91.03942	11.9
91.04940	1.1
91.05466	13.5
93.07030	38.4
95.04953	3.4
95.08592	43.6
97.02875	9.5
97.06507	3.1
97.10146	9.8
99.04427	1.3
99.08070	1.7
102.05463	0.7
105.07017	9.6
107.08577	23.4
109.02886	1.1
109.10144	18.9
111.08064	2.6
111.11698	2.3
115.03947	1.4
117.06981	2.9
119.08572	7.2
121.09283	1.6
121.10126	23.7
123.11714	8.9
125.09604	1.8
127.03909	4.3
131.08542	8.8
133.10094	7.9
135.11674	19.0
137.13242	4.7
139.11150	2.1
145.04961	7.6
145.10101	7.1
147.11693	5.2
149.13237	9.7
151.11198	1.2
151.14835	0.9
153.12773	1.0
159.11668	5.6
161.13249	4.1
163.05983	8.8
163.14755	5.7
173.13258	5.5
175.14850	1.4
177.16409	2.2
187.14885	2.4
209.15138	0.9
219.20999	2.1
233.22716	1.4
237.22060	4.5
243.21051	9.5
252.80965	0.7
261.22104	37.9
279.23029	1.0
299.23544	1.5
301.58810	0.7
309.24182	2.3
311.25763	100.0
312.26163	2.1
317.24710	5.8
321.24393	0.8
323.25497	1.1
335.25751	90.1
336.26062	2.3
337.27283	2.3
383.11917	0.8
434.49969	0.8
439.44772	0.8
497.43353	2.6
515.44586	0.8
571.47150	49.0
572.47437	2.7
589.48193	28.9
790.73846	1.2
791.48547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.7021
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	0.1
67.05488	1.3
68.05016	0.3
69.07053	1.4
70.06577	2.9
71.04972	0.2
71.69547	0.1
71.69941	0.1
72.08133	0.2
74.06024	0.1
79.05475	1.4
80.04997	0.3
81.05740	0.1
81.07034	2.0
82.06110	0.1
82.06561	0.7
83.04949	0.1
83.08604	0.6
84.04482	0.3
84.08131	0.5
85.02877	0.1
85.06508	0.1
86.09702	0.2
91.04959	0.1
91.05462	0.6
91.59073	0.0
93.05743	0.1
93.06474	0.1
93.07023	1.3
94.06544	1.4
94.91401	0.0
95.04917	0.1
95.07339	0.2
95.08586	1.7
96.08109	2.7
97.06491	0.1
97.08871	0.1
97.10147	0.4
98.06014	0.1
98.09091	0.0
98.09672	0.7
100.07566	0.1
100.11239	1.1
105.07013	0.7
106.06512	0.1
107.07330	0.6
107.08564	0.9
108.08092	2.9
109.06478	0.2
109.08921	0.4
109.10125	0.5
110.05981	0.1
110.09654	1.1
111.04400	0.1
111.08023	0.1
112.07610	0.1
112.11230	0.1
117.06992	0.2
119.08545	0.5
120.08088	0.6
121.06474	0.1
121.08828	0.1
121.10115	0.5
122.09641	1.7
123.07969	0.1
123.10418	0.3
123.11696	0.1
124.07552	0.1
124.11211	0.7
125.11503	0.1
126.09089	0.1
127.03873	0.1
128.07065	0.1
129.10197	0.1
131.08536	0.2
132.08051	0.1
133.08908	0.1
133.10081	0.2
134.09631	0.3
135.08054	0.0
135.10397	0.1
135.11642	0.2
136.07542	0.2
136.11203	0.3
137.05928	0.1
137.09521	0.1
138.09114	0.1
138.12732	0.1
139.08638	0.0
140.10648	0.1
143.08508	0.2
145.10095	0.4
146.09586	0.1
147.10529	0.1
147.11650	0.2
148.11139	0.1
149.09557	0.1
150.12726	0.1
152.10648	0.1
154.12209	0.1
159.11635	0.1
160.11145	0.1
161.13193	0.1
162.12732	0.1
163.11121	0.2
164.14284	0.1
166.15799	0.1
170.11758	0.3
174.12755	0.1
175.14839	0.1
176.14232	0.2
178.12294	0.1
182.15332	0.4
185.13168	0.2
187.14798	0.1
190.15829	0.3
192.13875	0.3
192.17419	0.7
194.15436	0.1
194.18942	0.2
200.14282	0.0
202.15834	0.8
203.14203	0.1
204.06694	0.1
209.16452	0.6
210.14876	0.7
212.16418	0.2
218.15356	0.8
220.16916	18.1
221.17232	0.4
222.18480	7.4
223.18732	0.1
226.19070	0.1
228.15831	0.1
236.16440	0.5
238.17961	43.0
239.18353	0.9
240.19524	32.6
241.19861	0.5
256.19028	1.9
258.20642	0.4
266.21231	0.0
287.05487	0.1
290.24487	0.1
326.27805	0.1
336.22653	0.1
406.29269	0.1
409.30688	0.2
435.33450	0.4
453.34280	4.0
454.34546	0.2
459.35776	0.6
460.34204	0.2
475.35309	0.2
476.35632	0.2
477.36761	100.0
478.37112	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	929.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	0.4
69.03424	0.5
69.07051	0.3
69.66932	1.5
70.06582	100.0
71.04950	0.2
71.06912	0.8
72.07742	0.2
72.08145	4.6
74.06068	4.2
74.83353	0.2
75.11846	0.2
78.31271	0.2
83.06091	0.6
84.04492	9.1
84.08122	0.4
85.02901	0.6
85.04871	0.2
85.65643	0.2
86.06049	0.3
86.09700	1.4
89.06022	0.4
91.05451	0.2
95.08582	0.2
98.06041	7.2
98.20779	0.2
99.09204	0.2
101.07130	5.5
102.05519	0.4
105.07010	0.2
108.08097	0.3
109.07634	0.2
110.07166	0.3
112.03970	0.4
113.07177	0.2
114.05502	0.3
115.08682	0.5
116.07079	1.0
117.03733	1.0
118.06858	87.4
119.07186	0.4
120.08046	0.4
126.05500	5.6
126.09115	0.4
127.03981	0.3
127.08660	0.9
129.06570	3.7
129.10194	0.2
130.06506	5.0
132.04774	0.4
132.08083	1.3
133.08574	0.3
136.07573	0.5
137.06013	0.3
138.09081	1.0
139.08635	0.3
144.08105	0.5
150.05501	0.2
151.12335	0.2
153.10242	0.4
155.08151	0.3
155.11812	0.7
157.06049	2.3
159.07687	1.5
159.09138	8.6
160.07544	0.3
161.05948	0.5
163.08980	12.6
167.08229	0.3
167.11778	1.7
169.07602	0.4
170.05971	2.6
171.09120	0.3
171.09729	0.3
171.11270	5.7
171.12720	0.4
174.05804	1.0
175.07498	0.2
177.08670	6.6
177.10187	0.4
178.05014	0.6
181.09785	1.1
182.08409	0.4
182.12859	1.1
183.09665	0.3
183.11255	2.7
183.14943	0.5
185.10663	0.3
187.07123	0.8
187.08754	0.7
187.10857	0.2
193.09796	0.2
195.11281	2.7
196.11197	0.3
199.10759	8.2
200.13931	2.8
201.10632	0.2
209.10916	0.3
210.12352	0.7
211.10596	0.2
211.12311	0.8
211.14240	0.2
213.13893	0.3
217.11920	0.2
220.17024	0.3
223.12259	3.2
225.13861	1.3
226.05319	0.4
228.13431	1.3
230.11349	0.4
238.18115	0.3
239.11746	2.1
240.15005	0.2
240.19603	0.2
242.16640	0.4
243.07922	2.1
243.11780	0.3
246.12685	9.4
248.92850	0.2
251.11940	0.3
252.13463	0.5
256.12921	1.2
256.14987	0.4
257.09601	0.4
267.11401	0.3
274.12207	19.5
274.14359	8.9
275.14709	0.3
278.14853	0.2
284.14078	1.2
285.12299	0.3
286.15399	0.5
290.16708	0.2
296.16006	1.1
297.12549	0.3
300.19150	0.3
321.07501	0.2
328.16837	0.4
332.14380	0.3
333.07550	0.2
335.18939	0.2
344.09317	0.3
345.07642	0.2
345.19577	0.5
346.14838	0.2
351.18030	0.3
353.18158	1.1
370.22534	0.5
371.19205	96.9
372.19534	1.6
373.18991	16.4
381.18829	0.2
383.20493	0.3
397.18491	0.3
410.20334	0.4
414.21268	0.2
429.19702	0.5
430.21191	0.4
442.20947	0.3
475.35107	0.3
515.28040	2.9
527.26404	0.5
531.27411	7.2
539.25928	1.1
540.24194	1.1
557.27155	9.1
559.26917	20.4
560.27332	0.7
628.31415	0.3
656.32220	6.4
784.39954	0.3
836.40167	0.3
854.42261	0.6
871.02826	0.2
911.43329	0.2
929.45367	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	926.5819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	86.1
69.03421	5.3
69.07058	19.0
71.03191	3.0
71.04984	2.1
73.02910	7.3
74.11221	1.0
79.05479	57.6
81.03407	2.7
81.07040	86.2
83.04955	2.6
83.08601	9.3
85.02888	34.4
85.06557	2.1
87.04429	2.0
91.03939	23.2
91.04890	1.7
91.05464	40.0
93.07029	74.0
95.04941	8.1
95.08590	73.1
96.08907	1.0
97.02874	15.9
97.06501	3.6
97.07095	1.0
97.10165	4.8
99.04412	1.3
99.08074	2.9
105.04511	1.5
105.06300	1.8
105.07010	30.3
105.07683	2.2
107.08576	38.2
109.06500	2.8
109.10139	29.9
109.10902	1.2
111.08051	2.2
115.03876	2.0
116.06152	1.4
117.07007	10.8
119.08562	25.1
121.06507	1.0
121.10126	33.3
123.08070	1.9
123.11696	12.4
125.09612	1.7
127.03889	11.2
129.06982	3.6
131.08545	20.3
133.10117	25.2
135.10678	1.8
135.11671	24.5
135.12691	1.5
137.09595	1.2
137.13243	3.3
143.08549	3.5
145.04932	12.1
145.10104	17.7
147.11659	15.9
149.09634	1.4
149.13229	12.6
151.11214	1.6
157.10106	4.4
159.11671	13.1
161.13232	8.7
163.05992	15.8
163.14827	5.8
169.10205	1.2
171.11642	4.5
173.13196	10.2
175.14807	4.5
177.16341	1.6
183.11681	1.2
185.13272	4.1
187.14755	6.4
189.16304	3.1
199.14885	1.5
201.16405	2.5
203.17862	1.3
213.16319	4.6
215.17847	8.2
217.19582	1.3
231.17554	5.3
233.18944	6.4
233.22473	1.3
241.19534	3.1
243.20985	6.2
259.20557	7.1
261.22092	28.7
263.23557	1.2
277.21548	2.1
279.23209	1.3
287.23596	1.5
299.23758	1.4
301.25189	1.4
305.21143	3.7
307.22623	99.8
308.22955	1.6
309.24258	8.4
313.25272	1.6
317.24664	3.2
327.26721	1.6
333.24179	6.5
335.25751	100.0
336.26028	2.5
337.27380	7.6
361.27551	1.1
437.33957	1.1
446.00253	1.2
475.34070	1.7
493.40442	7.3
511.41507	3.6
515.37488	1.4
543.40021	2.5
567.43970	42.6
568.44037	1.6
585.45068	43.2
586.45184	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	922.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.9
67.05495	7.3
69.03419	12.8
69.07055	45.8
70.06574	4.7
70.23435	1.9
70.23833	3.0
71.04958	3.7
71.08617	7.3
72.08130	1.3
73.02908	3.1
73.06564	1.2
79.05451	1.4
81.03404	15.8
81.07038	14.6
83.04981	2.9
83.08604	100.0
84.08136	1.1
85.02888	24.1
85.06523	2.0
86.09696	2.2
87.00812	10.0
87.04465	9.4
89.06015	62.6
91.03944	1.2
91.05500	1.2
93.07040	2.4
95.04958	4.1
95.08593	14.0
97.02882	9.1
97.10156	63.6
98.12260	1.0
99.04424	4.9
99.08081	3.1
101.06023	1.5
101.09667	2.7
103.03916	1.3
103.07614	1.2
105.01851	8.2
107.07059	2.1
109.02873	13.9
109.10134	6.6
111.04432	3.2
111.11681	8.8
117.01875	2.1
117.09106	7.2
120.08105	1.8
121.06449	1.3
123.11703	6.3
125.13290	2.8
127.03893	16.7
130.08618	1.8
131.07011	3.9
133.08583	52.0
135.10172	3.2
137.05959	1.6
137.13239	3.8
139.14813	4.6
143.08597	1.0
145.04941	3.1
147.02792	1.3
151.14810	1.4
151.32635	1.1
153.16374	1.4
157.15903	1.5
159.02875	3.9
167.06978	2.2
171.17378	1.3
173.21294	1.1
175.09630	3.9
177.11197	30.9
179.17964	2.2
185.08170	1.7
189.03987	1.3
191.12769	1.2
193.19463	1.5
197.19017	3.3
201.18437	1.3
211.20537	2.5
213.03954	2.0
215.19997	10.0
219.12337	2.1
221.13823	7.6
229.21590	10.6
231.04958	2.4
239.14787	2.3
249.05997	1.4
255.23184	6.9
259.22693	2.6
265.16486	1.3
269.24725	4.5
273.24225	15.7
283.17444	5.7
287.25848	2.2
289.09052	5.6
309.18900	2.3
317.26706	1.9
327.20084	20.5
341.21509	2.4
353.21524	3.4
367.23163	3.0
371.22745	20.0
385.24298	11.1
411.25757	4.8
425.27200	1.7
429.26852	6.5
443.28195	2.9
469.29803	3.0
639.46564	9.7
657.48041	7.5
922.57019	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	921.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03890	0.7
66.58009	0.2
67.05451	0.5
69.03420	1.2
69.07027	0.3
70.06580	1.7
70.39916	0.7
72.08103	0.2
74.05981	0.2
79.52847	0.2
81.03392	1.2
81.07014	0.3
81.08985	0.2
83.54543	0.2
84.04464	0.5
84.08077	0.6
85.02896	1.6
86.09652	0.7
87.00753	0.6
91.05435	0.3
92.04984	1.0
93.07004	0.3
94.06554	2.1
95.08542	0.4
97.02808	0.6
98.20708	0.3
99.04388	0.4
102.05491	0.2
103.05436	0.2
104.04928	0.3
105.01793	0.4
105.06976	0.3
106.06492	0.3
108.04398	0.6
109.02788	0.8
109.10119	0.3
110.05988	0.2
110.07114	0.3
117.01833	0.3
119.08533	0.3
120.04379	0.3
120.08028	0.9
122.05945	0.7
122.09557	0.2
127.03923	1.0
129.10144	0.3
130.02831	0.3
130.93301	0.2
132.04382	0.8
132.84503	0.2
133.10027	0.2
134.05934	0.5
136.07555	2.2
138.05481	8.6
138.09093	2.0
146.05952	0.3
148.03783	0.2
150.05426	0.4
150.09085	0.3
152.03383	0.4
154.08466	0.3
157.10036	0.2
158.09554	0.2
159.02859	0.4
159.11613	0.4
160.03905	5.8
162.05396	0.8
163.04942	0.5
164.06952	0.2
165.09023	0.4
166.04968	3.5
166.06277	0.4
167.07146	0.3
168.06708	0.2
168.08011	0.5
171.10387	0.4
176.03345	0.3
178.04962	1.7
180.06534	0.7
180.08014	0.2
181.07481	0.3
182.06015	0.2
183.09140	0.7
184.11125	0.5
185.10684	0.6
186.01799	0.3
186.11256	0.2
186.12738	0.4
187.11000	0.3
190.04893	0.3
192.06516	0.9
195.09061	0.6
196.06238	1.5
196.09792	0.4
197.06956	0.3
197.10698	0.6
198.07660	0.3
199.08514	0.3
201.10161	0.5
204.02870	2.0
206.04388	0.3
207.09129	0.3
208.06041	0.6
209.07008	0.5
209.10690	0.3
210.07690	0.4
211.08635	1.2
211.12193	0.6
212.08952	0.3
212.10895	1.2
212.16428	0.4
213.10143	0.7
213.13808	0.6
214.12360	1.9
215.11719	0.3
220.16692	0.2
221.07007	0.8
222.01826	0.3
222.03925	4.2
222.07658	0.4
223.08607	1.7
224.05710	0.6
224.09363	0.3
225.10258	1.7
227.08119	0.5
227.11723	0.5
228.08711	0.4
229.09637	0.9
229.13348	1.6
230.11780	1.5
235.08691	1.1
235.10724	0.2
236.05508	5.0
236.09361	0.6
237.06538	1.5
237.10123	1.7
238.07266	1.6
238.18004	0.5
239.08167	2.0
239.11812	1.5
240.10080	0.8
240.12437	0.3
241.05949	0.3
241.09444	1.0
241.13330	0.4
242.06795	0.4
242.11980	1.3
243.11246	2.6
244.09712	0.4
247.08519	0.3
249.06575	0.4
250.07298	0.4
251.08080	3.1
252.08925	0.8
253.06084	0.5
253.09773	1.5
255.07465	0.5
255.11284	1.3
256.08444	0.3
256.12067	0.4
256.19022	0.4
257.09036	1.0
257.12808	3.9
259.14352	1.5
263.08090	1.3
264.05432	1.2
264.08884	2.1
265.06027	0.6
265.09610	1.5
266.07114	1.5
266.10379	2.3
267.07550	2.7
267.11203	2.2
269.09158	2.0
269.11978	0.3
271.10739	2.1
272.08188	0.5
272.11502	8.5
273.08630	0.4
273.12064	0.3
274.09293	0.2
277.05994	0.8
278.06796	0.3
279.07608	5.0
281.08994	0.6
282.06418	0.7
283.07098	1.2
283.10703	0.8
285.05026	0.9
285.12286	11.6
286.12915	0.3
291.07605	4.2
292.04755	3.0
293.09128	2.0
294.06302	0.7
295.07056	1.8
295.10696	0.7
296.07730	0.8
297.05206	0.3
297.08652	4.7
297.11923	0.2
298.09293	0.7
299.10327	0.3
299.13586	0.5
300.10938	0.7
301.11755	5.1
303.13345	6.8
305.05487	3.2
307.07007	0.5
309.08566	2.5
310.05750	4.0
310.09406	5.0
311.10196	11.8
313.08395	0.4
313.11847	0.5
315.09720	0.8
317.14783	0.4
319.07092	1.6
321.08615	1.3
323.06558	7.6
324.07300	0.2
327.09689	0.3
333.04910	0.3
337.08121	39.9
338.08374	0.8
339.09692	7.9
340.06885	0.6
341.07568	1.7
342.08264	1.0
347.06589	0.7
355.09180	63.4
356.09668	1.2
357.10645	1.9
365.07587	5.8
371.12244	0.8
378.18100	0.8
380.10172	0.3
383.08679	49.0
384.08963	0.9
385.09033	0.2
389.13531	0.3
394.11542	0.3
397.10388	0.2
398.11227	0.3
401.09735	11.0
415.71201	0.2
418.17557	0.2
420.19232	1.7
432.15680	0.3
438.20218	2.3
440.12399	0.4
464.17773	0.3
476.14435	0.3
505.24307	0.3
527.22858	0.3
537.21362	0.3
563.18677	0.3
595.22089	0.5
597.23462	4.0
605.20404	0.6
623.21240	4.3
627.24304	0.3
629.25983	2.2
637.22406	0.4
641.22327	49.9
642.22174	1.0
655.23883	4.6
673.24921	100.0
674.25073	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	919.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95488	0.1
67.05476	0.1
68.99781	0.2
69.03419	1.2
69.62435	0.6
70.06574	0.4
71.01342	0.2
71.04979	10.0
72.05305	0.1
72.08151	0.1
73.02905	0.7
75.04464	0.6
81.03403	0.5
83.01304	0.1
83.04964	1.7
84.04465	0.1
84.08141	0.2
85.02888	15.2
86.03231	0.1
86.09662	0.1
87.04453	0.4
88.18532	0.1
91.03975	0.1
91.05486	0.1
93.03380	0.1
95.04942	0.5
97.02875	0.9
97.06499	0.1
99.04454	0.5
101.05991	0.1
109.02859	0.6
110.07144	0.1
111.00787	0.6
111.04426	1.4
117.05471	0.3
121.02843	0.4
123.04411	0.1
125.05914	0.1
127.03890	0.9
129.05452	4.1
129.10184	0.1
135.04372	0.1
136.07568	0.1
136.54462	0.1
137.02312	1.9
137.05830	0.1
141.05527	0.1
145.04912	0.5
147.06493	1.4
149.02315	0.3
153.01790	1.7
153.05505	0.4
157.05028	0.1
159.04372	0.1
159.06445	0.1
161.05968	0.3
163.03899	0.4
163.06012	0.5
165.01797	1.2
166.02589	0.1
167.03297	0.1
171.06541	0.2
173.05907	0.1
177.05515	0.1
183.02911	0.5
187.03915	0.1
191.03360	0.1
195.02936	0.2
201.05432	0.7
201.07309	0.1
201.41338	0.1
205.05092	0.1
207.02707	0.1
213.05432	0.1
219.02924	0.1
219.06520	0.1
229.04921	2.3
237.07619	0.1
239.03273	0.1
239.09073	0.6
247.05988	0.6
257.04370	2.0
257.10156	0.2
273.09650	0.1
274.04700	0.6
275.05344	0.3
275.08557	0.1
275.11267	0.3
285.03827	0.9
293.12207	0.1
302.03998	0.1
303.04919	100.0
304.05249	2.2
315.04828	0.5
327.04987	0.2
345.05984	1.3
353.06396	0.1
355.59424	0.1
362.66885	0.1
369.05923	0.3
395.07455	0.2
413.08688	0.5
429.08405	0.1
431.09656	0.3
447.09119	0.2
449.10666	1.1
465.10205	38.2
466.10455	0.8
507.11008	0.1
593.14606	0.1
611.16040	1.1
627.15460	2.0
919.45313	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05186	0.2
67.05497	2.8
69.07055	17.8
70.08245	0.9
71.08243	0.3
71.08619	5.4
73.02900	0.3
77.17886	0.2
79.05468	1.4
81.07034	4.0
83.04955	0.6
83.08601	16.9
85.06527	0.3
85.10165	2.5
93.07022	2.0
95.04961	0.2
95.08580	2.9
97.06516	1.8
97.10149	12.8
98.98444	6.4
101.05981	0.3
107.08564	1.4
109.10145	1.0
111.08045	0.9
111.11697	3.6
119.18629	0.2
121.10100	2.5
123.11651	0.6
125.09623	0.6
125.13241	0.8
130.94038	0.2
135.11653	1.7
136.99973	0.3
137.13232	0.4
139.11153	0.3
149.13228	0.9
155.01007	3.0
163.14807	0.7
173.02029	1.0
177.16299	0.3
210.23378	0.2
219.21095	0.6
229.04742	0.5
237.22096	0.9
247.05708	0.7
260.96603	0.2
263.23639	0.3
280.19141	0.2
311.25729	100.0
312.26022	3.0
337.27344	1.6
391.22427	0.3
447.19250	0.4
447.25021	5.3
492.76382	0.2
546.78082	0.2
613.53009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.1
69.03405	4.4
69.44003	8.9
69.44418	4.8
70.06583	7.3
79.05476	3.1
81.03400	5.6
81.07027	2.0
85.02888	5.0
86.09679	3.2
87.00780	2.5
91.05473	4.8
93.05793	1.5
93.07020	3.6
93.56108	1.5
94.06569	8.0
95.07327	3.7
96.08121	10.3
97.02870	3.3
99.04459	2.3
106.06527	3.7
107.07362	2.6
108.08101	19.4
109.02847	5.7
110.09645	18.3
116.04974	2.0
117.27869	1.5
120.08076	15.8
122.06008	9.7
122.09658	5.6
124.07575	9.7
127.03848	4.2
132.08073	4.1
134.05991	7.7
136.07565	19.3
138.09108	91.1
144.04428	4.7
146.05971	18.2
148.07564	18.3
150.05476	4.1
150.09113	6.1
152.07028	38.3
160.07564	1.9
162.05481	4.2
164.07033	35.4
166.08543	10.6
172.03912	25.5
172.05273	2.5
173.32159	1.6
174.05519	3.3
174.09123	4.7
176.07051	4.9
182.08116	16.9
190.04950	11.9
192.06505	1.8
192.10161	2.0
204.06505	45.4
209.10736	3.2
210.11467	21.5
211.12187	5.2
212.09235	2.0
213.10091	1.7
218.08099	4.8
221.10748	2.5
223.08691	2.2
223.12215	5.7
225.10201	9.9
225.13757	1.6
226.10953	2.7
227.11705	5.7
228.76559	1.6
229.13353	2.5
235.12193	4.7
236.09419	2.5
237.10220	11.2
237.13858	2.7
238.10919	10.5
239.11778	15.7
241.09566	2.5
241.13251	1.9
247.12306	1.7
248.09297	2.6
249.10187	7.7
250.10948	5.8
251.08188	1.8
251.09103	1.8
251.11714	16.5
252.08975	2.6
252.12457	4.4
253.09639	2.4
253.13329	8.8
255.11252	5.4
257.12811	2.4
262.10867	3.9
263.11719	24.0
264.08847	3.0
264.12521	4.7
265.09689	14.2
265.13257	12.4
266.10498	5.6
267.11237	23.8
268.11954	3.1
269.12769	24.5
271.11108	9.5
271.14288	13.3
276.12619	1.7
277.09659	5.5
277.13190	2.1
278.10385	5.8
279.11240	61.6
280.11984	6.0
281.12762	9.2
282.10074	2.5
282.13589	4.4
283.10770	6.3
284.11465	12.9
285.12308	22.8
287.14005	2.0
291.11279	11.9
292.12051	3.6
293.09204	6.3
293.12805	10.7
294.09747	1.8
295.10663	6.9
296.11493	8.8
297.12280	100.0
298.12915	4.6
299.13745	4.8
303.11069	1.8
307.10635	4.7
309.12253	41.6
310.13034	12.6
311.10178	7.5
311.13840	4.6
313.11755	2.9
313.15414	2.1
315.13199	3.0
316.14297	2.0
319.10654	9.1
321.12311	16.5
322.12827	2.3
323.10187	15.4
324.10748	2.3
325.11755	17.2
326.12253	3.0
327.13281	6.3
328.14456	2.3
329.14935	5.5
330.15973	2.4
331.23846	1.6
337.11758	37.6
338.12424	10.7
339.13330	22.3
341.11264	10.1
342.16113	2.3
345.76837	1.8
355.12949	4.1
357.14359	5.7
359.12155	3.9
360.16751	4.3
369.14398	41.7
370.15137	5.9
371.15939	20.4
372.16959	3.6
373.13812	12.6
373.18069	2.1
374.18719	2.4
385.14069	2.0
386.14581	5.3
387.15625	1.8
388.16376	7.7
390.17816	2.3
392.19595	3.0
400.16354	7.5
401.16928	2.7
402.18195	4.7
404.19672	3.3
412.16516	2.2
414.17706	4.1
416.19901	7.2
418.17413	8.0
421.19702	6.8
422.20581	6.8
430.17770	14.4
432.18930	4.1
434.16675	1.8
442.17572	7.8
444.19107	11.7
446.20679	6.9
447.17609	7.5
448.18600	52.8
449.18820	3.6
450.19885	2.2
460.18567	58.6
461.18942	4.9
462.20462	9.3
463.20786	3.0
465.18793	2.5
466.19565	4.4
470.17099	9.3
472.18567	14.2
474.16461	6.8
476.17148	2.4
478.19598	2.5
480.21231	27.4
488.17844	19.3
489.18576	2.3
490.19482	4.6
492.21240	77.7
493.21573	3.2
494.23499	2.4
495.23438	2.9
506.18991	4.7
520.20746	16.7
538.21576	4.3
545.17432	2.1
567.25909	14.6
585.26971	48.8
589.16699	3.3
593.23816	17.2
611.24890	82.6
612.24817	4.6
617.29584	27.5
625.26385	3.1
629.25903	43.1
643.17017	2.9
643.27435	42.0
661.29675	3.5
708.23212	2.0
714.24701	4.0
736.22797	4.7
754.23944	6.0
755.24908	1.9
786.27094	4.9
787.27002	2.8
833.31024	2.5
859.29688	5.0
877.30664	9.3
909.33282	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	908.541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	5.0
68.53428	0.5
68.99757	1.1
69.03419	10.5
69.07055	46.4
69.91254	3.4
70.06577	3.8
71.04988	2.9
71.08617	4.8
72.08141	1.3
73.02900	1.8
73.06537	1.7
77.03915	0.5
79.05463	1.3
81.03403	10.9
81.07041	13.7
83.04972	2.1
83.08604	100.0
84.04469	0.7
84.08918	1.1
85.02891	18.0
85.06529	1.2
85.10162	1.3
85.89899	0.5
86.09695	2.4
87.00805	8.1
87.04455	12.9
89.06013	81.1
90.06316	0.7
91.05482	0.7
93.07031	1.0
95.04951	2.1
95.08595	10.5
97.02882	6.3
97.10151	39.2
99.04450	4.4
99.08073	2.1
101.06039	0.8
101.09616	0.6
103.03929	1.0
103.07545	2.3
105.01848	5.0
107.07071	3.5
109.02859	10.0
109.10133	7.9
111.04411	1.4
111.11710	3.4
113.05962	1.5
113.09671	0.5
115.03890	0.6
117.01808	1.1
117.09116	3.9
120.08080	1.0
123.11679	4.1
125.06000	0.7
125.13261	3.4
127.03893	12.6
129.01845	1.4
129.09073	0.6
130.08646	3.0
131.03371	0.7
131.07019	5.8
131.10625	0.8
133.08580	65.2
135.10118	1.2
137.13252	3.0
139.14798	4.4
143.14296	0.9
145.04900	2.8
147.10094	1.1
149.05942	0.8
157.15816	1.5
159.02875	3.7
165.09052	2.2
165.16328	1.2
167.06990	1.2
171.02859	0.6
174.72949	0.6
175.09650	5.1
177.11192	36.1
178.11487	0.7
179.12805	0.8
179.17851	2.0
183.17369	1.1
185.07982	0.7
189.03862	1.0
191.12659	0.9
195.12257	0.7
197.18965	3.0
201.18501	2.6
208.98506	0.6
211.20467	1.0
213.03813	1.7
215.20035	12.0
219.12225	2.3
221.13805	9.5
223.15324	0.8
231.04831	2.0
235.15311	0.7
237.13229	0.7
237.16925	0.7
239.14799	3.0
255.23166	6.9
259.22620	3.6
265.16266	2.5
267.17868	0.7
273.24039	2.0
281.19373	1.1
283.17313	6.2
289.09177	2.7
299.13745	0.8
299.25662	1.0
300.13947	0.6
309.18958	3.2
327.20010	8.8
353.21652	4.5
367.22824	1.7
371.22702	27.5
385.23788	2.0
397.23932	2.0
411.25882	7.8
415.25327	9.5
429.26883	8.4
455.28323	4.1
469.30307	4.4
487.30731	0.9
625.45038	21.6
626.44574	1.1
629.71124	0.6
643.46002	7.7
645.07855	0.6
908.51135	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	900.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88002	0.1
65.03924	0.2
67.05488	0.3
68.05001	0.6
69.03407	0.4
69.07051	0.4
69.39307	1.2
70.02948	0.7
70.06578	100.0
71.06068	0.1
71.06902	0.8
72.08140	0.3
74.02406	0.1
79.05475	0.3
80.05000	0.1
81.07030	0.2
82.06567	0.3
83.04961	0.2
84.04467	0.4
84.08124	0.5
85.02889	0.3
85.03997	0.3
86.09689	12.8
87.09992	0.1
88.03971	1.6
89.03925	0.1
91.05463	6.7
93.07018	0.2
94.06534	0.1
95.04947	0.5
95.06079	0.4
96.08083	0.2
97.04000	0.5
97.07630	1.1
98.02395	0.3
98.06035	0.7
98.28899	0.1
101.07119	0.1
103.05434	1.0
105.03371	0.6
105.07059	0.2
106.06535	1.1
107.04922	2.2
107.08558	0.1
109.07613	0.7
110.02428	0.1
110.06016	0.1
110.07100	0.2
111.04287	0.7
112.07581	0.5
113.07104	0.1
115.05406	0.2
115.08675	0.7
116.04961	0.2
116.09041	0.1
117.05733	0.6
117.06991	0.2
118.06518	14.8
118.69337	0.1
119.04931	1.5
119.07370	0.9
120.08078	4.7
121.02832	0.2
121.06485	0.3
121.08441	0.2
122.05995	0.3
123.04404	0.5
124.07612	0.1
124.08681	0.3
125.03450	0.2
125.07102	1.5
126.05455	0.5
127.03899	0.2
127.08621	0.2
128.07076	0.1
129.10196	0.3
130.06496	1.2
131.04900	0.5
132.04442	0.3
132.08064	0.5
133.06427	0.2
134.05984	5.4
135.04396	0.2
135.06790	0.9
136.07561	6.0
136.08640	0.3
137.07068	5.6
138.07870	1.3
139.08630	1.3
140.07036	0.2
141.10211	0.4
143.04489	0.7
144.04416	0.1
144.08025	0.6
145.06482	0.3
145.07538	0.2
146.05980	32.9
147.04411	0.3
147.06317	0.5
148.07542	0.8
149.07047	0.2
150.07933	0.1
152.08144	1.2
153.06882	0.2
153.08948	4.1
154.09448	0.1
155.08199	0.3
155.11777	0.1
157.09695	20.4
158.05989	0.3
158.10065	0.3
159.09125	0.2
160.03951	0.3
160.07495	0.5
161.05986	0.3
161.10785	0.1
162.05472	7.3
163.05774	0.2
163.08678	0.3
164.07016	1.1
164.08183	0.2
165.05478	0.7
165.08974	0.4
166.09752	0.2
167.08160	1.0
168.08939	0.8
170.05943	0.2
170.09563	0.6
172.03877	0.2
172.07553	0.4
172.11180	3.7
173.05862	0.3
173.07101	0.8
174.05476	1.0
174.09131	0.2
174.12724	0.3
176.07037	0.3
179.08481	0.3
181.06369	0.1
181.09677	0.1
182.08067	1.2
182.09392	0.2
183.07892	0.3
183.09898	0.1
184.10800	0.5
185.09184	9.2
186.05490	0.3
186.09506	0.2
187.08661	0.4
187.12288	1.4
188.07001	1.0
189.06537	1.1
189.10153	0.2
190.04924	0.1
190.08571	0.3
190.12238	0.3
191.08238	0.3
192.06461	0.1
194.09315	0.5
195.07962	0.4
197.07089	0.2
197.10907	0.5
198.05495	0.4
198.09056	0.3
199.08688	0.2
199.12289	0.9
201.06543	0.5
202.12180	0.2
203.08173	0.2
204.06581	0.4
204.13818	0.4
206.07979	0.2
207.08080	0.5
208.11012	0.2
212.08331	0.3
212.12004	0.6
213.06535	0.1
213.10252	0.4
214.04951	0.3
214.13631	0.2
215.08176	0.4
215.11725	0.9
216.06497	1.2
216.12502	0.6
217.06084	0.4
217.13309	2.1
220.06100	0.1
220.13330	0.4
220.16858	0.2
222.09059	0.6
224.10362	1.2
226.13402	0.8
230.11852	0.1
231.07671	0.4
231.11208	0.3
232.05901	0.3
233.09158	1.4
234.09152	0.5
235.07521	0.1
236.10649	0.9
238.17975	0.3
239.07019	0.2
239.11772	0.1
240.05969	0.1
240.11380	0.4
240.19524	0.2
241.09712	0.4
241.13316	0.2
242.11713	0.2
243.07739	0.2
243.11221	1.3
244.09705	0.3
245.13017	0.3
246.09148	0.4
247.14384	1.3
248.12779	0.6
249.08618	0.6
250.08687	0.2
251.10150	1.2
252.10289	0.4
254.12828	1.2
256.14380	0.9
258.12344	2.0
259.07071	0.7
260.05524	0.7
261.08658	16.0
262.08835	0.7
266.12814	0.5
267.11270	0.1
268.14389	0.5
272.10419	0.2
275.06863	0.2
275.13855	7.4
276.14163	0.2
277.08133	3.2
279.11230	0.2
281.08051	0.2
282.12378	1.0
283.10864	0.2
284.13849	1.0
286.10690	2.9
286.15472	5.3
287.11359	0.1
287.15955	0.2
289.09854	0.2
294.12347	1.1
295.16455	1.3
298.10754	0.3
300.13361	4.1
301.13882	0.3
303.06140	0.3
304.16394	0.8
306.11752	0.2
312.13376	2.3
314.07849	0.1
320.16684	0.3
321.14401	1.3
325.18823	0.3
330.14413	22.0
331.14832	1.1
337.11786	0.2
339.13278	0.5
348.15991	0.4
351.13388	0.3
358.14133	0.2
365.18448	0.2
368.16190	0.2
377.11441	0.4
378.14246	0.2
390.16531	1.6
394.13892	0.4
396.15433	0.5
399.19089	3.4
400.19409	0.2
411.19183	0.2
416.14539	0.5
422.13470	1.3
427.16119	0.2
429.19894	0.1
433.34204	0.1
445.17102	0.5
456.21228	0.5
464.18063	0.4
465.21152	0.9
475.35037	0.2
491.19080	0.5
493.20755	0.2
507.22476	0.7
535.22137	0.7
537.23743	0.1
562.22992	0.4
571.23779	0.4
577.26129	0.2
580.23889	2.9
581.24109	0.2
588.20850	0.3
604.27264	0.6
606.21625	1.7
688.29584	0.2
691.30365	0.2
698.29279	0.1
701.28784	0.1
716.29114	3.7
717.28973	0.3
719.30157	0.7
758.34161	0.8
785.35071	1.9
786.34021	0.1
813.34290	3.4
814.34125	0.2
864.35834	0.3
882.36768	0.7
883.34851	0.3
900.37531	23.4
901.37708	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	894.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	6.5
68.99774	0.8
69.03415	8.5
69.07058	61.6
70.06584	5.3
70.63191	1.9
71.04984	3.0
71.08607	2.6
72.08144	1.7
73.02899	2.0
73.06557	2.4
79.05482	1.5
81.03407	9.3
81.07046	10.9
83.04997	1.3
83.08607	82.6
84.04500	0.8
84.08128	1.4
85.02894	16.8
85.06535	1.3
86.09707	3.3
87.00820	6.5
87.04457	15.4
89.06017	100.0
91.05467	0.8
91.07569	0.6
93.07064	1.3
95.04961	1.6
95.08591	8.1
97.02870	5.0
97.06531	0.9
97.10154	20.2
97.63821	0.5
99.04430	2.9
99.08087	1.9
103.03920	0.8
103.07551	1.7
103.70767	0.5
105.01842	4.2
105.07016	0.6
107.07063	4.4
109.02856	8.0
109.06428	0.7
109.10137	6.3
111.11707	0.8
113.02379	0.7
113.09614	0.8
117.09122	4.1
119.08578	1.0
120.08088	1.1
121.08461	0.9
121.10195	0.7
123.11690	4.2
125.13248	7.0
127.03901	10.5
129.01811	1.0
129.10201	0.7
130.08653	2.8
131.03340	1.0
131.07034	7.0
133.08585	81.5
135.10175	0.7
136.07588	0.8
137.05917	0.5
137.13240	1.0
139.14749	1.3
143.14301	1.5
145.04922	2.3
151.09660	1.0
155.14297	0.8
157.08675	0.6
157.15892	1.4
159.02858	2.5
161.11748	1.1
165.09029	0.7
165.16365	2.2
167.07008	0.6
175.09680	5.7
177.11201	42.5
179.12663	0.7
179.17827	0.8
183.17409	1.5
191.12836	0.7
195.12062	0.7
197.19035	2.0
201.18471	6.3
213.03883	0.9
215.20120	0.7
219.12302	2.7
220.16893	0.6
221.11823	0.9
221.13818	11.3
223.15346	1.0
231.05019	1.3
237.13306	1.1
238.17955	0.9
239.14813	4.4
241.21660	6.3
244.44359	0.5
256.15295	2.2
259.22598	1.4
263.14902	0.7
265.16428	4.0
281.19727	0.9
283.17447	8.3
285.24146	1.6
289.09149	1.5
307.17538	0.9
309.18982	3.7
325.22211	0.8
327.20016	6.6
353.21674	4.6
371.22736	17.5
397.24277	6.2
411.25876	3.7
415.25317	32.3
416.25757	0.7
429.26801	4.4
455.22586	0.9
455.28491	12.6
459.27908	1.3
469.29639	2.0
473.29224	1.5
567.40106	0.7
611.43591	35.9
612.43817	0.8
629.44672	8.3
797.88300	0.7
807.12756	0.6
894.52911	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	887.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.2
68.99811	0.2
69.03421	1.7
70.06587	0.3
71.01343	0.2
71.04984	10.5
72.05308	0.1
72.08139	0.1
73.02908	1.6
75.04478	0.7
78.65067	0.1
79.05487	0.1
81.03420	0.6
83.04970	4.9
84.20198	0.1
85.02894	16.0
85.51630	0.1
86.09740	0.1
87.04446	0.5
91.03981	0.1
95.04958	0.9
97.02889	1.0
97.06493	0.2
99.04450	1.0
99.22168	0.1
101.05983	0.2
103.03942	0.1
104.60756	0.1
105.03362	0.1
105.07007	0.1
107.04954	0.2
109.02879	0.7
111.00762	0.4
111.04429	4.0
112.83170	0.1
113.06019	0.5
117.05483	0.7
121.02848	1.3
121.06492	0.2
123.04453	0.1
123.08035	0.1
125.05998	0.1
127.03884	1.1
129.05466	4.9
129.65308	0.1
130.05814	0.1
133.02835	0.3
135.04396	0.1
137.02327	0.4
137.06038	0.2
139.03879	0.2
141.05466	0.1
145.04927	0.5
147.04420	0.3
147.06505	2.0
147.07697	0.1
149.05984	0.2
151.03799	0.1
151.07527	0.1
153.01822	1.5
153.05423	1.0
157.04942	0.4
157.06389	0.1
159.06540	0.2
163.05989	1.1
165.01802	0.9
165.05453	0.1
171.06528	0.5
175.07626	0.1
177.36229	0.1
179.06982	0.1
183.02950	0.4
183.06505	0.3
185.05988	0.1
193.08604	0.2
195.06502	0.1
201.07625	0.4
203.07085	0.1
213.05438	0.7
213.07545	0.3
220.17076	0.1
221.08070	0.1
231.06506	0.4
231.08588	0.1
239.06648	0.1
239.09097	2.3
241.04881	0.5
255.08687	0.2
257.10159	1.2
258.05200	0.6
259.05997	0.3
269.04367	0.2
273.09793	0.1
275.08328	0.1
275.11240	1.3
286.04697	0.1
287.05460	100.0
288.05832	2.0
293.12280	1.0
299.05524	0.5
300.06174	0.2
307.49634	0.1
311.05383	0.2
316.37076	0.1
324.67328	0.1
325.07074	0.2
329.06534	1.4
353.06268	0.5
379.07901	0.2
397.09134	0.7
415.10321	0.5
433.11298	2.1
449.10767	2.8
450.11319	0.1
475.35233	0.1
579.16980	0.5
594.80243	0.1
595.16663	0.4
648.02228	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	888.464
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20833	0.4
67.05496	0.7
68.05020	0.8
69.03401	0.7
69.07066	0.9
70.02943	1.0
70.06582	9.1
71.04964	0.8
71.77451	0.5
72.04507	0.7
72.08145	1.2
75.05586	1.0
79.05471	0.4
81.03374	0.4
81.07031	1.1
82.06564	0.4
83.06104	1.0
84.04488	10.9
84.07697	0.5
84.08121	2.6
85.02892	1.6
86.06068	0.9
86.09692	100.0
87.04472	0.5
87.05576	12.3
87.10027	1.1
89.07124	0.5
90.85010	0.3
91.05434	0.9
93.07027	0.8
95.04947	0.6
96.04476	1.7
97.02859	0.5
97.06528	0.6
97.07640	0.4
98.06055	0.6
98.09669	5.6
99.05563	1.9
101.07132	5.3
102.05525	11.6
104.05332	0.6
107.08629	0.4
110.06045	0.4
110.07153	0.8
110.09676	1.2
111.05547	0.4
112.11224	4.3
113.07103	3.5
114.05511	1.1
115.05036	14.6
116.03437	2.2
119.04917	0.8
119.08603	0.5
120.08077	1.6
123.05524	0.5
124.03911	1.1
125.07101	0.5
126.05502	0.5
126.09142	1.9
127.03946	0.5
127.05015	1.7
127.12304	1.2
128.10721	4.1
129.06567	5.8
129.10234	1.3
130.04970	2.2
130.06549	0.4
131.08125	2.6
132.10187	0.7
133.06082	0.7
136.07584	0.7
137.05988	1.2
138.09079	0.9
139.05025	1.2
140.08192	1.3
141.06570	20.6
143.08157	0.7
143.11768	2.0
145.06058	0.6
145.10074	0.5
147.04411	2.0
147.07655	0.9
148.06004	3.4
152.10681	1.9
153.06519	2.5
154.15916	1.4
155.04512	1.5
155.08273	0.5
155.11772	24.7
157.06090	1.9
157.13312	0.5
158.09235	3.0
159.07632	7.9
163.11183	0.5
167.04486	0.5
167.11855	1.1
168.07661	2.0
169.06064	6.6
169.13370	2.0
170.09282	1.1
170.11725	3.1
171.07623	4.0
171.11279	5.6
172.03934	0.3
173.05591	0.9
173.12834	28.4
181.06075	2.1
181.13373	1.3
183.11269	26.8
184.07176	3.3
185.12900	1.1
186.08728	9.4
186.10268	0.7
187.07146	1.8
195.11304	0.9
197.12830	6.1
198.08719	10.2
199.07161	3.7
199.14394	4.9
199.18007	3.9
200.10324	0.5
201.12323	10.6
202.08302	0.9
204.09677	0.4
205.12244	0.3
207.11382	0.5
209.12880	1.9
210.08711	2.2
211.07077	0.6
211.10745	0.5
211.18039	0.6
213.12383	0.8
215.11601	0.7
215.13858	13.1
216.09744	3.3
217.08275	0.5
220.17023	0.4
223.10744	1.0
224.10335	0.7
224.14063	0.7
225.12289	4.2
225.14270	0.4
226.08238	1.4
226.15511	2.5
227.11398	1.3
227.13924	4.0
227.17551	1.7
228.09808	2.4
228.13394	5.5
236.13861	0.5
237.09862	1.4
237.12402	1.2
238.08240	0.7
238.15630	0.8
238.18016	1.9
239.13910	0.4
239.17569	0.7
240.13470	1.6
240.19589	1.1
241.15668	0.9
241.18828	0.6
243.11049	0.5
243.13379	11.4
244.09253	2.1
245.12491	0.7
252.09946	0.9
252.13380	5.4
253.11801	0.5
254.14966	11.6
255.10883	9.2
255.13396	1.6
257.15057	0.7
258.14474	0.5
261.14368	3.6
265.19266	0.6
266.14948	2.5
268.09464	0.8
269.12476	1.5
269.15085	0.5
270.10886	1.5
270.14474	0.7
271.17688	1.6
272.16095	0.9
273.11914	4.3
280.12781	0.4
282.14374	1.0
283.17609	1.7
283.20270	1.9
284.16037	1.6
284.19498	0.4
286.10519	0.4
287.13486	0.6
293.18704	0.6
294.14392	2.1
295.10229	0.8
295.13110	0.7
295.17789	0.5
296.19684	1.9
297.11963	1.6
297.15579	3.7
299.17297	1.8
300.15466	0.6
310.21121	0.5
311.17123	1.3
311.20020	0.7
312.15472	5.7
313.11588	1.1
313.18832	1.5
315.12994	1.5
321.11957	0.8
323.17090	11.1
324.15408	0.5
329.14346	0.4
329.18103	0.8
330.16492	3.4
338.20691	0.8
339.12988	2.8
339.16656	1.4
340.19763	4.0
341.18137	3.7
351.16550	1.4
352.15051	0.6
355.19598	0.5
356.18457	0.7
356.21970	3.0
357.18018	0.6
358.20813	3.4
366.14093	1.6
367.23489	0.8
368.19064	4.8
369.17688	0.7
374.22858	1.2
383.19296	1.5
384.14957	2.3
384.25845	0.5
386.20239	5.6
397.24527	0.8
402.16171	1.2
408.18646	0.5
409.17203	0.5
410.19839	1.9
412.25739	0.7
415.25232	0.4
425.23932	2.8
426.19745	4.5
428.21347	1.0
436.25818	1.8
440.21487	0.7
443.25107	1.9
451.23361	0.6
452.21692	1.4
454.26675	0.8
469.24591	1.5
469.30539	0.8
470.22888	1.2
471.29382	0.8
475.35178	0.6
477.37003	0.5
479.22449	4.0
481.27722	1.5
482.26291	1.1
485.26233	0.6
487.24905	2.7
496.27795	0.4
497.23480	11.4
499.28793	1.5
503.27054	5.0
514.28674	0.6
515.24542	13.2
515.32031	0.8
522.25653	0.6
526.28571	0.6
538.32349	3.3
539.28052	4.5
541.30072	1.7
556.33710	1.9
564.32080	0.5
565.29767	0.9
582.32721	2.1
583.30756	4.0
592.30627	2.8
593.29205	0.5
600.33417	7.5
609.36609	0.6
610.31873	15.9
611.32257	0.7
612.37000	0.9
616.35651	1.8
628.32922	31.7
629.32849	0.8
639.37054	0.5
652.36597	4.4
654.38220	0.6
670.37622	1.0
671.93439	0.5
695.40656	1.6
696.39246	3.7
705.39465	1.2
713.41748	6.8
723.40277	13.5
724.40747	0.7
741.41272	26.0
742.42072	1.0
870.45551	1.3
888.46515	11.3
889.46863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	1.0
61.59287	0.9
67.05494	5.2
67.59040	1.1
69.03421	7.3
69.07058	73.2
69.29982	10.9
70.06575	9.7
71.04971	3.5
71.08636	1.4
72.08121	1.4
73.02907	1.3
73.06547	2.8
79.05488	1.2
81.03424	6.7
81.07041	9.2
83.04986	1.2
83.08604	42.1
84.04494	2.3
84.08114	3.0
85.02886	13.9
85.06510	1.8
86.09679	5.1
87.00812	4.9
87.04451	14.6
89.06014	100.0
90.06326	0.9
91.05485	1.2
93.03654	1.0
93.07014	2.8
95.04932	1.1
95.08592	10.7
97.02879	5.6
97.06485	1.7
97.10137	6.1
99.04425	2.6
99.08077	1.6
100.64286	0.9
105.01826	2.3
105.06991	1.6
107.07047	5.3
109.02858	5.8
109.10149	7.1
110.07193	1.3
117.09117	4.3
120.08102	3.1
122.15023	1.0
123.08103	1.3
123.11650	1.8
125.13267	7.1
127.03898	6.9
129.10226	2.7
130.08611	2.8
131.07036	5.4
133.08580	77.2
138.05443	1.3
139.14798	1.2
140.70447	0.9
143.14308	1.0
145.04909	1.3
145.10097	1.2
159.02887	2.2
159.09093	1.0
161.11761	1.1
165.16405	2.3
175.09659	4.8
177.11194	38.2
183.17453	2.1
219.12216	2.9
221.13812	10.4
223.15312	1.5
227.19981	5.9
239.14865	3.4
265.16379	3.1
271.22665	5.2
283.17471	5.9
286.54724	1.0
293.94543	1.0
309.19077	3.9
313.11520	1.4
327.20059	5.9
329.60529	0.9
337.08325	1.6
346.14761	1.6
353.21524	2.0
355.09177	2.3
356.09274	1.3
371.22574	5.0
377.28525	1.3
382.15118	1.2
383.08826	1.9
397.23923	4.7
415.25342	27.8
455.28580	10.8
459.27914	7.9
473.29361	2.6
497.08502	1.1
553.39032	1.9
597.41962	52.8
598.42413	2.0
615.43134	8.1
621.51520	1.2
673.24609	2.6
674.25549	1.1
880.33759	1.1
880.50415	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	878.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.2
67.05499	5.3
68.99741	1.8
69.03417	10.9
69.07056	45.4
70.06588	5.2
71.04967	3.2
71.08623	7.5
72.08135	1.5
73.02885	2.4
73.06500	1.3
79.05466	1.3
81.03403	12.9
81.07039	13.3
83.04955	3.5
83.08603	100.0
84.04465	1.2
84.08133	1.1
85.02367	1.2
85.02888	20.5
85.06525	1.9
86.09660	2.8
87.00809	7.6
87.04449	7.9
89.06013	55.5
91.05428	1.6
91.78153	0.7
93.07028	2.0
95.04938	2.4
95.08585	12.3
97.02385	0.8
97.02882	9.5
97.06508	1.4
97.10151	59.8
99.04449	4.3
99.08066	2.7
101.06020	1.8
101.09593	1.6
103.07545	2.2
105.01855	6.8
105.07036	1.2
107.07035	2.8
107.08525	1.4
109.02849	9.0
109.06487	1.4
109.10136	8.7
111.04401	3.0
111.11714	8.4
117.09106	6.1
118.86252	0.9
120.08083	1.5
121.06519	1.2
123.11681	4.9
125.05965	1.0
125.13244	1.5
127.03880	14.4
129.10188	1.0
130.08612	1.5
131.07013	3.7
131.25632	0.9
133.08582	49.0
135.10138	2.5
136.07576	1.1
137.13226	5.5
139.07533	1.1
139.14819	5.2
139.60837	1.0
145.04904	3.3
145.08575	1.0
147.02953	1.0
147.10158	2.1
151.14775	1.6
153.16307	1.9
157.15793	1.5
159.02853	2.8
161.79637	0.9
171.17380	1.5
175.09653	2.7
177.11183	26.2
179.17876	2.4
189.03992	1.4
191.12724	1.9
191.31459	0.8
193.10410	0.8
193.19514	2.0
197.18967	4.6
210.00690	1.1
211.20566	2.7
213.03908	2.4
215.20042	12.0
219.12178	1.2
221.13805	6.5
223.63356	1.0
229.21638	10.5
229.76120	1.1
231.04958	2.7
235.15363	1.2
237.16872	1.1
239.14775	3.0
249.06047	1.0
255.23172	6.1
259.22598	2.2
265.16440	2.3
269.24707	3.8
273.24176	16.9
283.17453	18.8
287.25793	1.5
289.09241	5.1
297.19113	1.8
309.18903	2.3
313.27280	1.8
323.20547	3.9
327.20065	21.4
331.28564	1.1
341.21646	14.3
367.23068	6.9
381.24716	3.6
385.24341	6.6
399.25662	2.9
425.27264	3.8
439.29129	1.3
595.44116	16.9
613.45093	9.7
878.52539	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	872.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01143	8.1
68.05022	0.3
69.03417	0.4
69.07051	0.4
69.52363	1.9
69.52771	0.4
70.06583	100.0
71.04996	0.3
71.06918	0.9
72.04652	0.2
72.08146	4.9
74.06060	0.6
79.05457	0.3
81.07056	0.3
83.06104	0.5
84.04494	8.6
84.08142	1.2
85.02888	0.6
86.06037	0.4
86.09693	1.6
87.02644	0.2
88.03979	0.2
91.05450	0.4
94.06532	0.4
95.08589	0.3
97.02892	0.2
98.06042	4.5
99.09228	0.3
101.07134	5.6
102.05510	0.6
104.05343	0.3
104.93090	0.2
105.07053	0.3
107.08549	0.3
108.08101	0.3
110.07163	0.5
112.03960	0.5
115.08667	0.6
116.07095	0.9
117.03713	0.8
118.06865	89.9
119.07240	0.5
119.08556	0.3
120.06544	0.5
120.08095	0.9
121.06500	0.3
122.09640	0.3
126.05495	3.8
127.03933	0.3
127.08659	1.0
129.06581	4.0
129.10222	0.8
130.04977	0.5
130.06516	4.3
132.04787	0.3
132.08087	1.3
133.10147	0.3
136.07533	0.7
137.06012	0.3
138.09105	1.3
139.25858	0.2
142.06483	0.4
144.08098	0.3
150.05466	0.2
151.12328	0.3
153.10217	0.4
155.11804	0.9
157.06076	2.5
159.09164	8.6
163.08980	13.6
167.11804	0.8
169.07671	0.4
169.09621	0.3
170.05984	2.6
171.09117	0.3
172.09743	0.3
174.05843	0.9
178.04984	0.6
181.09743	0.6
182.08342	0.7
182.12955	1.1
183.09596	0.4
183.11270	2.7
185.06958	0.2
187.08670	0.6
187.86986	0.2
195.11275	1.4
199.10722	1.8
200.13954	2.5
209.09128	0.4
209.10847	0.3
210.12334	0.7
211.10562	0.3
211.12262	0.6
213.12314	0.7
217.11809	28.0
218.12167	0.6
220.16812	0.3
223.12257	2.6
225.13889	0.9
226.05347	0.5
228.13400	1.2
238.17955	0.6
239.11740	1.9
239.18629	0.4
240.19756	0.6
242.16527	0.5
243.07898	1.6
246.12692	9.2
256.14429	1.0
257.09604	0.5
267.11093	0.5
274.12164	23.4
275.12625	0.4
284.13882	1.7
286.15497	0.5
290.16547	0.3
296.15930	1.0
314.17056	68.5
315.17249	1.8
319.69244	0.3
335.18756	0.3
345.19357	0.5
370.22342	0.4
371.17343	0.3
373.18997	22.8
374.19275	0.8
383.21216	0.2
414.21121	0.3
423.47705	0.2
424.19748	0.3
430.21094	0.4
442.20685	0.4
483.22470	1.2
500.25021	7.3
514.25098	0.3
515.27991	4.2
516.27911	0.3
528.26068	0.4
531.27411	8.1
532.27258	0.5
539.25885	0.8
542.24188	0.3
559.26923	24.0
560.27197	1.8
628.32568	0.3
656.32220	5.2
657.33002	0.4
727.36462	0.3
753.37286	0.5
872.42517	3.4
873.42548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	18.3
69.03416	1.4
69.07056	6.9
69.84504	4.5
69.84917	2.1
70.06574	1.9
70.95859	3.8
71.08623	10.2
71.93000	2.2
72.93775	16.8
77.38355	0.8
79.05482	9.0
80.92978	1.0
81.03409	4.3
81.07045	22.2
83.04975	1.1
83.08607	6.7
85.10179	6.9
88.96892	2.9
90.94816	12.9
91.05473	6.2
93.07021	9.5
95.04968	1.6
95.08591	18.0
97.10169	2.1
102.94782	1.2
103.03938	2.1
105.07032	3.3
106.97943	1.0
107.08577	4.2
107.95068	1.1
108.95868	6.8
109.02833	1.1
109.10148	7.0
113.96386	3.1
116.96375	2.6
117.07017	1.2
119.08571	1.9
120.95857	1.3
121.10129	3.0
123.11684	3.1
126.98428	2.2
128.96339	3.3
130.97910	2.3
131.08527	1.2
131.97409	1.8
132.95815	12.8
133.10112	1.7
134.97409	5.3
135.11674	2.2
136.95329	2.0
142.97923	2.4
144.95827	5.0
144.99481	4.1
145.10089	1.3
146.97368	9.9
148.98969	3.7
149.13181	1.3
150.96857	13.0
151.97714	1.2
154.97841	1.5
155.97397	2.8
155.98578	1.2
156.95822	3.6
158.97374	10.2
160.99042	1.5
162.96886	8.4
164.98451	38.5
164.99956	2.6
165.03662	0.9
166.98036	1.2
168.95746	1.1
169.98967	1.2
170.97404	7.0
172.95232	4.4
172.98981	2.8
174.96904	3.4
176.98407	9.7
178.97852	1.8
180.99513	1.5
181.98988	2.8
182.97433	2.7
183.98097	1.8
184.98918	3.0
186.96965	1.1
187.00516	1.2
187.99991	5.5
188.98447	9.4
189.03639	1.6
190.96320	3.2
191.00021	2.8
192.97910	2.0
192.99474	1.3
196.98975	2.6
198.96866	39.4
200.98401	6.0
203.00047	2.9
206.99429	11.2
207.00961	1.1
212.00024	1.3
213.03714	1.2
214.93086	6.5
214.99969	3.8
215.05173	1.9
216.97911	15.3
218.99449	5.8
221.98445	1.5
224.00020	1.1
227.05223	1.8
230.99481	8.9
233.01019	13.8
239.23701	1.1
239.99409	5.6
240.94696	2.3
241.05182	1.5
242.99425	1.5
243.06728	2.2
245.01006	2.4
252.94722	1.8
254.99506	1.1
255.06686	1.8
257.24771	1.5
262.93027	20.5
270.95673	7.4
273.00424	4.8
275.02145	1.1
275.07321	1.8
278.09348	1.3
279.08282	1.8
280.94101	15.6
281.09894	3.5
283.11362	2.8
285.94632	4.4
294.95700	2.4
298.95129	22.1
298.98193	1.8
303.95703	3.6
305.11838	1.1
307.13593	1.0
309.15067	1.3
312.96744	4.5
313.27325	51.3
314.27710	2.0
316.96127	2.8
316.99478	1.4
317.17899	1.3
321.96701	7.1
325.14807	1.3
327.16217	2.9
329.11996	4.7
329.17609	6.8
331.13336	10.9
333.15073	100.0
334.15424	3.6
335.25748	33.7
336.96725	8.4
347.18854	7.0
351.16199	1.6
352.19351	1.2
354.97714	12.8
363.25125	1.3
370.20544	1.9
372.16205	1.7
372.98816	29.4
373.03406	2.0
374.17776	4.5
385.20331	2.1
396.00494	3.6
397.20438	1.4
407.18726	14.5
414.01398	4.3
449.19736	3.3
519.16602	1.7
537.17780	2.0
551.92841	1.0
555.17328	1.3
573.48883	6.5
575.19672	2.0
593.20728	8.5
597.18243	1.3
611.21771	61.7
612.21783	1.9
615.19171	43.3
629.22992	2.2
633.20184	65.5
634.21271	3.4
645.41327	4.0
652.24341	12.3
653.24017	1.3
768.33276	1.0
871.43896	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	861.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	0.6
71.60487	0.6
79.05441	0.5
91.03970	0.4
95.08583	0.4
117.89138	0.4
185.04266	0.5
203.05318	1.2
245.06337	1.0
301.20145	0.9
305.08420	1.0
329.08316	0.6
347.09393	7.3
365.10425	3.4
407.11578	1.1
421.13345	1.2
437.12714	0.7
451.14517	0.8
467.14322	0.6
509.14484	4.3
537.30048	5.9
583.18488	1.2
638.06628	0.5
699.35364	13.2
700.36017	0.7
861.40717	100.0
862.40784	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	864.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.6
67.05487	6.2
68.99769	1.3
69.03417	11.5
69.07055	50.2
69.29452	3.9
69.29852	1.3
70.06581	2.6
70.07413	0.5
70.75710	0.5
71.04976	4.2
71.08627	5.6
72.08135	0.6
73.02901	1.5
73.06548	1.3
75.04482	0.5
79.05479	1.1
81.03407	12.0
81.07040	13.4
83.05000	2.4
83.08603	100.0
84.08121	0.7
84.08932	1.5
85.02888	22.6
85.06532	2.2
85.10170	0.7
86.09692	1.5
87.00811	8.4
87.04452	11.0
89.06013	81.0
89.13615	0.5
91.05444	0.8
93.07043	1.1
95.04940	1.7
95.08594	11.5
97.02879	7.6
97.10151	45.1
98.10478	0.8
98.20799	1.0
99.04445	4.1
99.08075	2.3
101.05991	1.2
101.09653	0.6
103.03899	0.8
103.07560	2.5
105.01841	5.4
107.07056	3.3
107.08569	0.7
109.02854	9.6
109.10133	7.6
111.04416	1.8
111.08064	0.5
111.11708	4.0
113.05998	1.1
113.09634	0.9
117.01826	1.2
117.09110	4.5
119.08546	0.5
120.08112	1.0
121.06489	0.7
123.11678	4.4
125.05973	0.6
125.13242	4.1
126.08888	0.5
127.03897	11.7
129.01794	1.7
129.10191	0.5
130.08635	2.0
131.03339	0.7
131.07011	5.6
131.10715	0.5
133.08578	63.4
135.10138	1.2
137.13235	3.4
139.14818	5.4
143.08478	0.5
143.14326	1.0
145.04959	3.7
145.08582	1.0
147.02875	0.5
147.10211	1.2
155.14281	1.3
157.15884	1.9
159.02847	3.2
161.11713	0.8
165.16345	1.4
167.06985	0.8
169.15703	0.5
174.01459	0.4
175.09647	5.2
177.11191	34.4
178.11560	0.5
179.17923	2.9
183.17400	0.8
185.08102	0.8
189.03828	0.6
191.12668	1.3
195.12253	0.8
197.18980	3.6
201.18535	2.2
211.20625	0.7
213.03825	1.4
215.20029	13.3
219.12239	2.2
221.13817	10.3
223.15346	1.0
231.04933	1.9
237.13326	1.0
237.16794	0.9
239.14851	4.7
241.21591	1.5
249.05965	1.0
255.23087	7.5
259.22803	3.7
261.48135	0.5
265.16360	2.4
273.24182	2.1
283.14703	0.3
283.17426	9.9
289.09100	3.9
294.28821	0.6
297.18820	0.7
299.25577	1.1
309.19009	3.9
323.20636	1.0
327.20071	32.7
328.20270	0.6
341.21552	4.5
353.21558	2.3
367.23227	6.4
371.22699	14.2
381.24786	0.8
385.24280	12.7
399.25668	0.9
411.25693	3.8
425.27402	4.7
429.27005	1.1
443.28433	0.9
503.60226	0.5
550.88861	0.5
581.42474	27.6
582.42621	1.6
599.43549	9.4
651.12970	0.5
763.47394	0.5
840.27509	0.5
864.51416	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	861.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58639	2.5
69.59065	1.2
70.06580	1.5
84.49078	0.4
86.09693	0.9
93.07059	0.5
96.12623	0.4
98.21443	0.9
120.08125	0.6
140.30002	0.4
162.69754	0.4
185.04214	0.7
203.05289	1.3
245.06389	1.1
250.01987	0.5
259.07968	0.8
289.09045	0.7
305.08423	1.5
307.46793	0.6
329.08447	0.6
347.09439	6.0
365.10464	6.1
407.11560	2.5
421.13168	2.4
437.12683	0.9
451.14224	0.8
467.13605	2.5
491.13748	0.7
509.14801	5.5
527.15765	6.5
537.30267	5.0
583.18616	3.0
675.40118	0.5
699.35541	9.0
738.90936	0.5
861.40790	100.0
862.41052	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	858.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04503	1.1
61.02914	4.0
65.03918	0.8
67.05495	14.5
69.03420	18.8
69.07043	1.9
70.06583	20.1
71.04982	7.5
71.06921	0.9
71.72613	0.7
72.08147	2.9
73.02889	2.1
73.25015	0.5
74.06057	0.8
79.05473	3.0
81.03404	4.6
81.07046	4.6
83.04968	1.9
83.08577	1.0
84.04494	3.5
84.08133	5.6
85.02891	46.8
85.06531	8.3
86.03228	0.6
86.09696	4.2
87.04459	3.6
87.05585	0.6
91.03957	1.4
91.05461	2.7
93.07026	2.8
95.04951	33.8
95.08574	3.2
97.02875	15.2
97.06506	6.7
98.06039	0.5
99.04443	2.6
101.05962	0.5
101.07143	0.8
102.05501	0.8
104.05296	0.7
105.01868	0.5
105.07020	3.3
107.04916	0.7
107.08570	2.7
109.02859	4.4
109.06499	1.6
109.10139	2.4
110.07151	0.9
111.04444	1.1
111.08044	0.6
112.08712	0.6
113.05985	100.0
114.06297	0.6
115.03850	0.6
119.04916	0.9
119.08566	2.4
120.08074	1.6
121.10131	3.0
123.04381	0.6
123.11702	1.4
125.05963	4.0
125.09619	0.7
127.03889	13.4
129.05542	0.5
129.06616	0.7
129.10208	2.7
131.04851	0.5
131.08514	0.9
133.10109	2.1
135.11667	1.8
136.07564	2.0
137.05966	1.2
143.08549	1.0
145.04938	19.5
145.08574	15.1
145.10080	2.2
147.04373	1.5
147.11691	1.8
149.13261	0.8
153.05429	4.9
155.06993	2.9
155.08214	0.7
157.10016	0.7
159.07999	0.5
159.11697	3.1
161.13226	1.4
163.06003	6.4
163.07367	0.9
167.06966	0.8
167.08231	0.6
171.11623	0.8
173.13255	1.1
174.13417	0.4
175.14777	1.9
179.06982	0.8
183.11591	1.1
185.13158	1.1
187.14655	0.7
189.07561	2.7
189.08972	0.5
189.16374	1.2
195.11589	1.2
197.13228	1.0
199.11061	0.5
199.14883	1.1
201.16350	3.1
209.13202	0.7
213.16243	0.8
215.17934	0.8
217.12263	0.6
225.16412	0.6
227.10631	0.6
235.14828	0.7
238.17966	1.2
239.09215	1.6
240.19409	0.7
241.12067	0.6
253.19501	0.5
257.10208	3.9
275.11136	2.5
277.19388	0.9
289.09137	1.2
291.21057	1.6
291.26843	0.9
309.22046	1.2
309.27765	1.3
319.20486	1.1
325.11246	6.6
327.23065	0.6
337.21524	7.7
355.22662	13.3
373.23679	73.3
374.23996	1.8
414.26202	2.4
441.26050	0.5
517.31598	12.8
558.34283	0.8
629.13647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	67.7
65.03926	1.8
67.05489	47.5
69.03412	7.7
69.07050	8.9
69.24875	5.1
69.25295	1.4
70.06609	0.6
71.04970	2.7
71.08600	0.7
73.02901	25.9
75.04479	0.6
79.05474	24.0
80.05853	0.5
81.03403	3.4
81.07036	53.1
83.01306	0.5
83.04945	0.8
83.08597	6.6
85.02885	87.0
85.06512	2.3
85.26573	0.5
86.03211	0.7
87.04432	1.4
91.03933	79.1
91.05447	13.7
93.07021	37.4
95.04940	3.0
95.08585	46.5
97.02869	43.0
97.06506	1.8
97.10136	2.1
98.03232	0.8
98.21544	1.0
99.04425	5.1
99.08073	2.1
101.02328	1.9
103.03911	3.5
105.07006	11.0
107.08569	25.6
108.08183	0.7
109.02837	3.1
109.06473	1.5
109.10132	28.2
111.08051	1.4
111.11713	0.6
113.09608	1.5
115.03905	5.6
117.05470	1.0
117.06968	5.0
119.08555	11.3
121.10117	25.5
123.08052	0.9
123.11678	15.1
125.09619	1.0
127.03886	30.5
129.05479	0.6
131.08539	14.7
131.09520	0.8
133.10104	10.9
135.11656	22.2
137.09596	1.1
137.13222	7.0
139.03868	1.0
139.11147	1.3
145.04924	44.7
145.10097	11.9
146.05255	0.8
147.11649	8.2
149.09550	0.8
149.13223	17.5
151.11143	1.7
151.14767	2.1
153.12738	0.8
159.10338	0.4
159.11656	11.5
161.13222	8.5
163.05978	100.0
163.14783	12.4
164.06357	1.3
165.12686	3.0
173.13239	12.4
175.14822	3.7
177.12746	1.4
177.16351	5.2
179.14238	3.1
187.14766	7.7
189.16295	0.8
191.14291	1.7
201.16389	2.6
201.18010	0.5
203.17876	0.7
204.08694	0.9
205.15836	1.7
206.79889	0.5
215.17879	1.3
217.09003	0.5
219.17363	1.3
220.17020	1.0
229.07176	0.8
233.18852	0.8
233.22551	2.7
238.17992	1.6
241.15640	0.6
243.15807	1.2
243.21021	31.1
245.22433	0.6
261.22070	90.8
262.22382	2.4
263.23700	1.7
271.07980	0.5
279.23083	4.9
281.21008	0.7
307.10129	0.5
317.24692	0.8
325.11203	7.1
333.48886	0.6
335.25729	34.3
336.26068	1.6
353.26779	89.0
354.27042	2.7
405.26221	1.0
461.29099	1.0
461.39438	0.6
479.29987	1.2
497.30966	9.8
618.48700	0.8
628.00287	0.5
657.42987	0.6
659.35681	0.9
855.65430	1.3
856.66364	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	58.9
61.29927	0.6
65.03912	1.4
67.05495	38.5
69.03112	0.7
69.03423	6.3
69.07055	6.4
70.45943	2.5
71.04969	2.5
71.08607	0.8
73.02498	1.3
73.02906	25.3
75.04453	0.8
75.97957	0.7
79.05482	23.9
81.03394	2.6
81.07045	43.3
83.04961	1.3
83.08598	4.9
85.02893	83.2
85.06525	1.5
87.04447	1.7
88.99329	0.6
91.03944	78.2
91.05458	11.8
93.07030	35.2
95.04944	2.1
95.08594	35.7
97.02879	38.5
97.06520	1.9
97.10126	2.4
99.04434	4.5
99.08062	1.9
101.02338	0.7
103.03925	2.0
105.07014	12.1
107.07857	1.2
107.08578	23.6
109.02837	2.4
109.10142	23.3
111.08033	1.1
113.43967	0.6
115.03938	3.4
117.05474	0.6
117.07006	6.3
119.07782	1.0
119.08567	12.3
119.09363	1.3
121.10129	23.8
123.07995	0.9
123.11687	12.0
125.09586	0.8
127.03899	31.2
131.08545	15.1
133.10110	10.6
135.10669	1.3
135.11676	20.3
137.09569	1.9
137.13264	5.3
139.11142	1.4
145.04947	47.5
145.10104	11.5
147.11667	9.0
149.13240	16.0
151.11078	1.7
151.14801	1.9
153.12714	0.7
159.11671	9.8
161.13234	8.0
163.05994	100.0
163.13437	0.7
163.14803	14.5
164.06396	1.0
165.12697	1.8
173.13225	11.9
175.14839	3.0
177.12842	0.8
177.16370	5.2
179.14270	3.0
187.14769	7.2
189.16327	1.5
191.14241	1.7
201.16348	2.5
204.08528	1.6
205.15742	1.2
215.17883	1.0
219.17378	1.4
231.15956	0.7
233.22638	2.8
243.21054	34.0
244.21281	1.1
261.22110	95.2
262.22461	2.5
263.23721	2.9
271.08249	0.7
279.23160	2.3
307.10324	1.0
317.24332	0.8
325.11249	8.3
335.25778	17.1
340.03806	0.7
353.26819	86.8
354.27145	2.2
469.22559	0.7
497.30984	2.7
856.65967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.0
62.06067	0.5
67.05493	3.0
68.99773	0.3
69.03419	7.4
69.07053	10.9
69.77103	1.1
69.77515	0.9
70.02922	0.3
70.06580	7.2
71.04966	2.2
71.07340	0.5
71.08602	0.5
72.08146	3.4
73.02901	1.2
73.06542	1.1
79.05496	2.2
80.05000	0.3
81.03400	5.5
81.05789	0.5
81.07043	6.1
83.04967	1.2
83.07337	0.4
83.08598	4.4
83.30726	0.3
84.04485	1.1
84.08125	2.4
85.02890	14.3
85.06516	2.2
86.06050	26.0
86.09690	2.8
87.00819	3.8
87.04436	0.9
89.05998	0.8
90.12919	0.3
91.05470	1.1
93.07019	4.3
94.06544	0.7
95.04958	0.8
95.08593	4.2
96.08115	6.8
97.02872	5.4
97.06509	3.2
97.08946	0.3
97.10159	1.1
98.06034	1.7
98.09679	9.9
98.21542	0.4
99.04427	3.1
99.08077	0.3
100.07597	0.4
101.06023	0.4
102.05541	0.3
103.03941	0.6
105.01851	3.1
105.07012	1.1
107.04997	0.4
107.08578	2.9
108.08092	2.9
109.02857	5.5
109.06495	0.8
109.10123	2.4
110.06012	0.4
110.07138	0.4
110.09649	0.8
111.04422	0.4
111.08060	2.0
112.07568	0.8
113.05984	0.4
114.09176	1.7
115.07550	2.6
116.10708	55.1
117.01807	0.4
117.11060	0.8
119.08560	0.7
120.08083	2.2
121.10126	1.7
122.09646	1.9
123.08008	0.4
123.11707	0.7
124.07571	1.6
124.11189	0.6
125.09589	0.4
126.09133	0.9
127.03902	8.5
129.01801	0.8
129.09103	0.3
129.10236	1.3
131.08549	0.6
133.08609	0.8
133.10106	0.7
134.09650	0.6
135.11656	0.8
136.07576	0.7
136.11179	0.8
138.09120	0.9
140.10709	1.3
141.09079	0.8
142.08615	9.6
145.04907	1.8
145.10078	0.7
147.02840	0.3
149.09628	0.5
149.13222	4.5
151.11163	1.0
152.10706	1.0
154.12234	0.6
155.08183	0.5
155.14305	0.7
158.11760	0.5
159.02876	1.8
159.11661	0.8
161.09676	0.4
165.09064	0.4
166.15895	0.9
167.14272	1.4
170.11768	0.3
177.98274	0.3
178.12364	0.3
183.14949	0.4
185.09204	0.3
187.05997	0.5
189.03987	0.4
194.15372	1.2
198.33310	0.3
201.08795	0.4
201.12347	0.3
210.14780	0.4
212.16425	30.2
213.16730	0.8
228.15883	1.1
229.16283	0.7
230.17482	12.3
231.04955	1.4
231.15829	1.9
238.17941	4.2
239.16472	2.2
240.19446	0.3
256.19006	8.5
257.17374	6.4
262.21606	0.5
264.23178	0.5
268.22757	0.4
274.21625	0.6
280.22678	0.8
285.12326	0.6
292.22672	3.0
310.23706	13.2
315.13412	0.4
328.24762	100.0
329.11285	0.3
329.25049	3.2
373.13989	0.3
406.29489	0.5
416.22922	0.8
424.30472	13.8
425.31134	0.7
442.31516	11.8
457.32242	0.3
460.21725	1.8
478.22800	2.5
490.30032	1.2
501.93375	0.3
504.24542	0.5
532.30835	1.2
558.28363	0.4
576.30035	15.8
577.30328	1.0
604.36511	0.5
622.26892	1.2
640.28119	1.1
666.29333	0.3
672.35455	2.0
690.36676	3.3
734.85004	0.4
738.35120	3.4
834.40906	1.5
838.07080	0.4
852.41968	1.0
875.04089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	7.1
61.02923	1.2
67.05495	5.6
68.99784	0.8
69.03420	9.2
69.07059	64.3
70.06580	4.6
70.07379	0.5
71.04993	3.6
71.08614	2.7
71.66053	1.0
72.08154	0.7
73.02917	2.2
73.06538	2.8
79.05447	1.2
81.03405	9.1
81.07042	12.0
83.04973	1.4
83.08606	87.8
83.92944	0.5
84.04500	0.6
84.08117	1.3
85.02894	19.1
85.06531	2.1
85.10179	0.5
86.09709	1.9
87.00818	8.4
87.04454	11.8
89.06017	100.0
90.06342	0.8
91.03932	0.6
91.05470	0.7
91.07590	0.8
93.07020	1.2
95.04966	1.1
95.08595	8.5
96.06557	0.5
97.02873	6.5
97.06506	0.9
97.10152	24.7
99.04440	3.6
99.08083	2.2
101.05994	0.7
103.03901	0.7
103.07587	2.3
105.01834	4.1
105.07027	0.9
107.07057	4.5
107.08569	0.8
109.02853	8.5
109.06543	0.6
109.10130	5.9
110.07151	0.5
111.04426	1.2
111.11681	1.1
113.02354	0.7
113.05984	0.6
113.09644	0.9
116.10701	0.5
117.01846	0.8
117.09093	3.9
120.08073	0.9
121.10075	0.5
121.62769	0.4
123.11683	4.5
125.05958	0.5
125.13258	7.0
127.03901	10.8
129.01790	1.0
129.10181	0.5
130.08598	2.5
131.03395	1.0
131.07030	5.9
131.08589	0.5
133.08585	78.7
137.13190	0.7
139.14787	1.6
143.14297	0.9
145.04926	1.8
147.10158	0.6
149.05966	0.5
151.09598	0.6
155.14272	1.1
157.15849	1.3
159.02863	2.1
161.11710	1.2
165.09091	0.5
165.16406	1.8
175.09673	5.2
177.11195	38.1
179.12801	0.7
179.17859	1.1
182.88251	0.5
183.17389	2.0
189.03813	0.7
191.12863	0.8
195.12155	0.8
197.18941	2.7
201.18497	5.2
212.29301	0.4
213.03868	0.8
215.20012	0.5
219.12248	2.1
221.11824	0.8
221.13802	10.6
223.15332	1.1
228.16048	0.6
231.04892	1.6
235.15321	0.4
237.13326	0.9
238.18044	0.6
239.14851	4.3
241.19748	0.5
241.21651	5.4
256.18921	0.8
259.22540	1.0
263.14923	0.7
265.16458	3.4
267.11212	0.5
267.17737	0.9
281.19513	0.9
283.17471	8.3
285.24054	1.5
289.09067	1.3
307.17282	0.9
309.19009	3.6
325.21973	0.5
327.16260	1.0
327.20093	18.7
353.17896	0.6
353.21658	6.0
355.08707	0.5
367.23148	3.5
371.22699	40.5
372.23004	1.1
385.24203	5.8
411.25873	11.9
415.25211	0.9
425.27151	2.1
429.26892	3.5
435.33441	0.6
443.28101	0.9
479.35480	0.6
523.38306	0.8
524.49847	0.5
567.40973	44.2
568.40906	1.3
585.42065	8.7
586.42120	0.5
850.50824	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	850.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.6
66.04699	0.6
67.05481	1.4
68.99776	0.9
69.03419	4.7
69.07074	0.5
70.02975	0.5
70.06581	9.0
71.01321	0.5
71.04988	1.7
71.06905	0.5
71.72482	0.8
72.08146	1.5
73.02888	0.5
75.04473	0.7
77.03930	0.6
79.05478	2.8
81.03400	7.3
81.07040	2.2
83.04950	0.7
84.04500	1.0
84.08128	1.6
85.02888	7.8
85.06553	1.0
86.09671	3.1
87.00808	2.2
91.05462	7.4
93.07034	1.0
94.04176	2.0
95.01323	0.7
95.04944	3.9
95.08586	1.9
96.08138	0.6
97.02866	3.8
97.06503	0.9
99.04455	1.6
101.07114	0.5
103.03960	1.1
103.05448	30.8
105.01846	1.7
105.03322	0.7
105.07018	2.8
107.04944	3.9
107.08571	0.5
108.02106	1.1
109.02870	8.8
109.06522	1.5
110.03677	0.5
110.07124	1.0
111.04430	2.0
113.05997	2.1
115.03920	0.6
115.05424	3.8
117.01824	0.5
117.07005	3.1
118.04165	2.9
119.04914	8.2
119.08549	1.3
120.08102	3.0
121.06488	1.8
121.10150	0.7
122.03629	4.9
123.04409	2.1
124.05156	0.6
125.05937	2.8
127.03905	6.2
128.06232	0.7
129.06972	1.9
129.10222	1.2
130.04134	1.0
130.83148	0.5
131.04904	53.2
131.61308	0.5
132.05713	0.6
133.02867	0.8
133.06447	3.1
133.10074	0.6
134.03638	0.5
135.04379	0.8
135.07985	2.5
136.01471	0.4
136.07539	0.6
137.05952	100.0
138.06303	1.1
139.03893	0.6
141.05426	1.9
141.06989	0.6
143.04886	2.2
144.05681	1.0
145.05003	1.4
145.06456	6.1
146.03630	0.8
147.03120	0.6
147.04385	7.2
147.07988	1.3
148.05153	7.4
149.05974	3.5
151.03877	65.0
151.04915	3.0
151.07498	11.6
152.04442	0.6
153.05481	2.6
153.06537	0.6
153.43312	0.4
157.06450	1.3
159.02835	1.4
159.04390	0.7
159.08009	1.1
160.05136	2.6
161.05981	4.4
162.06715	1.4
163.07513	60.7
164.07835	0.8
165.05518	2.7
165.06822	0.7
165.09091	0.9
167.07013	9.8
167.08401	0.7
169.09756	0.5
171.04384	1.0
171.06572	0.6
173.05956	5.4
173.13026	0.5
174.06754	1.1
175.07518	14.4
176.04662	2.3
177.05424	5.7
177.09079	1.7
178.06342	0.5
179.07004	15.7
181.04932	14.6
181.08553	1.6
185.05946	0.6
187.07524	5.5
189.03917	1.4
189.05365	1.2
189.06944	0.5
189.09084	1.7
190.06270	1.6
191.06998	73.0
192.07472	1.0
193.04916	0.9
193.08524	1.9
195.06509	1.1
199.07491	0.6
201.05418	1.0
203.06987	4.7
205.06589	1.1
205.08548	13.9
207.06412	0.7
207.08182	0.9
207.10181	1.6
209.07942	2.5
215.07010	2.5
217.08522	4.1
219.10112	1.6
220.16904	1.0
221.07915	2.2
222.18385	0.8
227.06975	0.9
229.08508	0.6
231.04784	0.8
233.05959	0.9
233.07988	3.2
235.07512	1.0
235.09605	10.0
237.08972	0.9
238.18002	2.9
240.19547	2.2
241.08508	1.5
245.07985	1.6
247.07420	0.6
247.09801	0.8
249.09122	1.1
256.19092	1.1
257.07892	0.6
259.09686	1.1
263.06631	1.1
263.09119	13.6
265.08380	1.1
265.10718	8.2
267.10114	0.7
269.08035	0.7
269.11646	0.7
275.06445	0.5
277.08649	1.1
287.09100	1.9
293.08176	0.6
293.11578	0.5
294.08911	0.9
295.09726	1.5
297.11182	0.9
299.09430	0.6
299.12833	1.3
300.09924	1.1
301.10974	0.8
305.10236	1.1
309.11121	1.5
313.11920	0.6
319.09891	0.5
325.10812	0.8
326.23111	0.5
327.12186	2.0
329.13867	1.4
337.10681	1.9
339.12213	1.0
341.13824	2.0
351.11984	0.7
353.13681	1.7
355.11844	5.2
357.13123	0.8
359.14749	1.5
369.13330	3.4
371.14813	6.0
385.16217	1.4
387.14337	28.5
388.14691	0.7
409.10904	1.1
427.12219	2.0
436.13611	0.5
475.35162	0.7
517.18536	8.1
519.19763	1.0
521.21222	0.8
549.21136	6.1
551.22571	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	848.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	0.4
67.05495	6.8
68.05029	1.2
68.05769	0.3
69.03391	1.0
69.07063	5.0
70.06586	12.1
71.04988	1.4
71.06889	0.5
72.08148	1.3
74.06053	0.4
79.05489	5.5
79.82928	0.3
80.05005	1.9
80.91836	0.2
81.03353	0.5
81.05740	0.6
81.07044	6.5
82.06570	4.3
83.04972	4.7
83.07320	1.2
83.08605	1.2
84.04486	1.2
84.08126	2.5
85.02890	3.1
86.06026	0.5
86.09709	2.0
86.53648	0.3
87.04461	0.3
91.05477	3.6
93.05772	0.6
93.06483	0.3
93.07032	5.0
94.06557	7.0
95.04961	1.5
95.07298	0.7
95.08056	0.3
95.08594	4.2
95.73347	0.2
96.08125	6.2
97.02844	0.6
97.06478	0.8
97.08886	0.4
97.10105	0.8
98.05992	0.8
98.09680	1.3
99.04356	0.3
102.05478	0.3
103.05447	0.2
105.07020	3.2
106.06520	1.3
107.07333	5.9
107.08564	3.4
108.08105	7.6
109.02866	0.4
109.06473	0.9
109.08892	3.0
109.10092	1.4
110.05997	0.7
110.07141	0.7
110.09660	3.6
110.10396	0.5
111.04443	2.2
111.08051	0.5
112.07609	2.1
115.08669	0.3
117.07012	1.3
119.08583	1.9
120.07251	0.3
120.08096	5.1
121.08829	0.5
121.10121	1.2
122.05993	0.3
122.09655	8.5
123.08037	0.6
123.10382	1.1
124.07529	0.6
124.11211	3.1
126.09154	0.6
127.03894	0.7
127.09924	17.9
129.05409	0.8
129.06902	0.3
129.10184	0.7
131.08551	0.6
132.08066	0.7
133.10052	1.0
134.09622	1.9
135.07993	0.4
135.10460	0.5
135.11632	1.1
136.07568	1.8
136.11218	2.2
137.02277	0.5
137.05934	0.7
138.09122	1.2
140.10681	8.8
141.11401	0.5
143.08467	1.0
144.07959	0.3
145.10094	1.8
146.09563	0.4
147.07877	0.4
147.11603	0.3
148.11151	0.7
149.02113	0.3
150.12744	1.1
152.10681	0.4
152.14336	0.4
153.01791	0.9
154.08609	0.6
154.12221	0.7
158.09584	0.4
159.09135	0.4
159.11699	0.3
160.11174	0.5
161.09538	0.5
162.12767	0.5
163.03850	0.2
163.11162	0.7
164.07019	0.2
164.14247	0.4
165.01810	0.7
166.12186	0.3
169.14598	0.6
170.11761	1.6
170.62538	0.2
174.12752	0.8
175.14799	0.3
176.14354	1.3
178.15904	0.3
180.13777	0.6
182.15382	0.4
183.02850	0.3
185.13217	0.5
190.15842	1.9
192.13786	1.0
192.17459	2.7
193.18140	0.4
194.15407	0.3
194.72411	0.2
196.16911	0.5
200.14297	0.3
200.85896	0.2
201.05382	0.3
202.15869	1.5
206.15396	1.0
208.16960	1.7
210.18503	0.5
211.19276	0.9
212.16386	0.3
218.15375	5.8
220.16942	50.1
221.17293	1.0
222.18517	6.2
223.18799	2.8
224.19147	0.3
226.17931	0.3
229.04962	0.8
234.14755	0.3
236.14586	0.1
236.16415	8.2
238.17992	65.4
239.18480	1.8
239.68925	0.3
240.07559	0.3
240.19562	27.1
240.69695	0.5
241.19894	11.8
242.20242	1.5
247.06110	0.4
250.18102	0.2
254.17488	3.5
256.19055	16.6
257.04459	0.6
272.18533	3.3
273.18771	0.3
278.17398	0.4
280.19046	8.3
287.05463	4.9
292.18991	0.7
297.19385	0.4
298.20105	11.3
303.04959	17.0
308.18460	0.3
310.20090	1.6
322.20126	3.7
324.21890	0.3
326.19577	0.9
330.20779	0.4
338.23035	0.3
340.21249	0.5
348.21710	3.1
364.21432	0.4
366.22711	23.5
367.23169	0.7
382.22174	2.2
384.23764	100.0
385.24109	2.6
400.23270	13.8
401.23288	0.4
470.99283	0.2
475.35596	0.3
477.36987	0.7
478.36569	0.4
479.31369	0.4
479.38406	14.6
480.38708	22.8
481.38980	6.5
528.28058	0.3
546.29022	10.2
546.37463	0.5
547.29803	0.4
562.28674	1.0
570.49725	0.3
848.33209	49.8
849.33368	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	839.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	51.9
67.05494	49.4
69.03379	3.3
69.07042	9.1
70.05796	16.7
70.06571	4.4
72.08138	3.9
73.02898	20.0
79.05477	25.1
80.58210	2.5
81.03397	3.7
81.07039	60.5
83.08589	8.7
85.02893	62.8
91.03940	52.4
91.05465	20.0
93.07027	42.2
95.08589	43.1
97.02867	30.9
99.04421	3.3
99.08034	2.8
105.07014	11.5
107.08577	30.8
109.10143	33.0
117.06979	5.6
119.08529	14.7
121.10122	33.2
123.11705	15.6
127.03873	25.2
131.08543	13.3
133.10118	10.2
135.11690	25.1
137.13188	7.9
145.04945	38.4
145.10085	11.8
146.08078	8.1
147.11690	10.5
149.13226	22.8
159.11696	7.7
161.13211	8.1
163.05992	68.6
163.07230	5.5
163.14746	14.3
173.13239	12.2
175.14667	3.3
177.16422	5.7
179.14307	3.3
187.14810	10.4
201.16328	4.2
220.16719	2.9
233.22630	3.9
238.17996	10.2
240.19513	12.3
241.19914	4.2
243.21048	37.9
261.22079	100.0
262.22556	3.2
283.18945	3.4
335.25760	19.5
353.26819	62.2
425.87106	2.8
477.36841	16.3
478.37253	21.9
497.30856	4.2
551.61292	3.2
731.67871	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	839.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	7.4
71.30059	1.9
72.08156	1.0
77.03918	1.2
79.05473	3.0
80.42924	0.7
81.07059	1.7
84.04481	1.7
84.08110	1.7
86.09679	2.7
89.05981	1.5
91.05463	2.3
93.07022	2.9
94.06541	1.1
95.04949	1.6
103.05447	3.4
105.05728	1.1
105.06997	1.8
107.08563	1.2
108.08108	5.1
110.07111	0.9
118.06521	1.1
120.08085	15.1
122.09661	4.9
124.11267	1.1
127.03912	1.0
129.10231	1.4
132.08025	1.3
134.06053	1.0
136.07603	1.6
136.11186	3.4
144.08086	1.9
146.06024	1.1
146.09627	1.4
148.07547	53.0
150.09143	3.1
158.09721	0.9
160.07552	1.5
162.09157	1.9
164.10701	7.8
166.12212	6.6
168.06624	1.3
172.07518	4.6
177.06558	1.6
178.12247	1.4
180.19827	0.8
186.09058	1.5
188.07056	2.3
190.08615	5.8
191.08096	1.6
192.10127	2.6
195.10474	2.1
197.10666	1.2
200.06992	1.6
201.10132	0.9
202.10954	0.9
204.09923	0.7
205.09636	1.4
208.11226	1.3
209.11945	1.2
210.11462	1.3
211.12302	2.7
215.08145	1.0
216.06609	1.3
217.09651	1.2
218.08092	3.6
219.07652	2.0
224.14377	1.6
225.10283	4.6
225.13791	11.9
226.14594	2.6
233.05562	1.0
233.09175	5.1
234.07582	3.2
236.13152	0.9
238.10966	2.6
239.11845	6.8
239.15352	1.8
240.12616	3.2
240.19437	1.0
241.13295	1.4
241.16978	4.5
245.05365	0.9
245.09146	1.2
249.13931	1.0
252.13791	3.6
253.13324	59.8
254.14081	18.0
255.14885	7.6
257.16461	3.2
261.08618	4.2
263.10202	2.5
264.12640	1.2
265.13354	1.6
267.11307	5.8
267.14810	5.4
268.15680	3.3
269.16434	23.7
276.13794	1.1
277.13364	2.5
279.09692	17.5
279.14590	4.5
281.12827	7.3
287.40891	0.9
289.08182	1.4
291.10992	1.0
293.12811	7.3
293.16406	2.9
294.13748	2.5
295.14545	4.4
296.15146	13.5
297.15915	3.4
299.10251	1.4
305.07452	1.2
307.09210	8.2
311.17508	16.2
313.11548	1.1
313.19031	5.1
315.09659	1.1
319.09180	1.4
321.15906	8.1
324.14590	1.9
339.11899	24.8
339.16980	100.0
340.17288	2.0
343.08942	1.2
355.46237	0.9
373.14084	1.1
389.09711	1.2
391.11581	1.1
393.16852	2.3
403.11179	8.4
410.17291	1.1
436.18521	2.4
470.19009	1.0
480.17227	1.6
501.17059	12.8
510.18765	1.2
530.21564	4.8
583.25336	1.6
601.26208	3.6
617.25873	2.5
627.24042	7.9
628.24567	0.9
645.25348	11.8
659.26855	8.0
660.25439	3.3
677.28021	34.7
678.27789	1.4
790.32526	0.9
839.31213	1.2
865.23358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.6
68.04998	0.7
69.03402	0.9
69.07063	1.3
69.34562	4.9
70.06583	100.0
71.04994	1.3
71.06927	0.8
71.65857	0.4
72.08146	22.1
79.05476	1.0
80.36154	0.4
81.03433	0.6
81.07059	1.1
82.06561	0.8
84.04488	4.8
84.08135	3.0
85.02879	2.3
86.09695	5.0
87.00816	0.9
88.03973	1.3
89.06025	0.7
91.05479	2.0
93.07027	2.2
95.04951	1.1
95.08595	1.5
96.08135	0.6
97.02870	0.6
98.06033	0.7
99.04475	0.4
102.05531	9.3
103.05441	2.9
105.07018	1.1
107.08554	0.7
108.08084	1.0
109.02904	0.6
109.06512	0.6
109.10124	1.3
110.06021	0.4
110.07154	1.1
115.08671	1.3
116.07056	1.5
119.04969	0.5
120.08089	90.4
121.08428	1.0
121.10136	0.8
123.04461	0.5
124.07609	0.5
126.05486	0.8
127.03879	1.3
128.07076	0.6
129.10187	1.5
130.04955	0.7
130.06496	2.4
131.04890	0.8
132.08051	0.6
135.11723	0.7
136.07573	2.9
137.05968	1.3
138.09106	0.8
141.10205	34.0
141.26106	0.5
143.11786	6.4
146.09572	0.9
148.06033	6.7
154.08565	1.0
155.08101	0.5
159.09178	2.4
159.11731	0.5
163.11227	0.6
164.07088	0.6
169.09702	41.0
170.06009	0.6
171.11220	2.7
172.11163	1.1
174.12759	1.5
186.09111	4.1
186.12492	0.5
199.41400	0.5
201.12245	0.6
204.10283	0.7
217.13374	5.8
220.16927	1.3
227.11658	0.6
231.11343	0.8
233.12773	1.3
238.17957	2.2
239.11720	0.7
239.18565	0.7
240.16975	2.6
240.19505	2.9
241.09802	0.7
241.19930	0.6
245.12845	7.2
247.07420	0.4
247.10626	0.4
247.12849	6.3
249.12334	12.1
255.11072	0.7
259.10709	1.6
263.13821	1.0
267.11099	1.4
268.16553	11.3
271.14551	0.6
275.13739	0.7
277.11792	10.0
285.12219	0.6
287.10349	0.5
297.11887	0.5
303.13245	1.4
303.16779	0.7
313.11777	0.5
316.16544	4.1
331.16388	0.7
373.13858	0.8
374.17178	0.6
386.10602	0.5
387.23831	1.3
402.16464	1.6
415.21838	47.1
416.21808	0.6
424.18588	4.8
427.19815	0.5
445.20752	1.0
450.20059	0.9
475.34650	0.9
476.35672	0.6
477.36804	1.4
478.23248	0.9
478.36145	0.7
498.27234	2.3
509.76462	0.6
521.23480	2.9
526.26733	2.4
544.27496	5.3
562.28687	12.0
564.27570	1.4
576.23877	1.1
592.27551	5.9
646.32257	0.8
663.35120	4.5
673.32001	0.8
691.34448	14.1
692.34460	0.8
706.19348	0.6
838.39038	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	838.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04512	1.3
60.05648	1.0
67.05510	0.4
68.05005	1.5
69.03417	0.7
69.07069	0.9
70.02933	1.2
70.06581	74.3
70.26206	0.4
71.04977	1.9
71.06911	1.5
71.64773	0.4
72.08145	4.1
73.08459	0.5
74.06071	1.0
75.05595	12.3
76.04020	0.6
79.05502	0.6
81.03407	0.4
81.07040	0.7
82.06571	0.5
83.06081	2.4
84.04491	33.6
84.08131	7.4
85.02907	1.7
85.04022	0.5
85.07661	1.8
85.08469	0.5
86.09696	7.5
87.05586	1.6
88.03983	0.9
91.05465	8.2
91.48701	0.4
93.07038	0.6
95.06074	3.7
96.04485	2.3
97.02892	0.5
97.07636	1.9
98.06047	1.9
101.07124	15.5
102.05521	5.3
103.05473	1.7
104.05315	0.5
105.07029	1.2
107.04950	1.9
107.08620	0.7
109.02872	0.5
110.07153	4.5
112.08709	26.5
113.07108	5.5
113.07832	0.6
114.05537	0.8
115.04974	0.5
115.08672	11.9
116.07095	1.0
118.06529	0.9
119.04922	6.7
120.08083	36.4
121.06483	0.7
121.08392	0.7
123.05563	0.5
124.03938	2.0
124.08740	1.6
125.07178	0.9
127.03866	0.8
127.08681	0.7
129.06580	7.0
129.10193	4.4
130.05006	1.7
130.06540	1.0
130.09723	0.8
130.10646	0.5
131.04933	1.8
132.08066	2.3
136.07555	89.7
137.05974	1.8
137.07906	1.6
139.04973	0.5
139.08678	0.5
140.08102	1.9
141.06569	5.0
141.10225	0.4
146.06024	0.8
147.04407	2.1
147.07678	0.6
148.07574	3.9
148.08673	1.0
151.05034	1.0
151.07562	0.6
152.03400	3.6
152.07129	0.6
152.08127	2.2
153.06577	0.7
154.09767	0.9
154.16792	0.4
155.08185	0.8
157.10828	0.9
158.06090	0.6
158.09264	1.0
159.07744	1.1
159.09152	0.8
160.07599	0.8
161.05974	0.7
161.10698	0.6
163.07478	0.9
167.08099	2.1
169.06061	9.8
169.07413	0.7
169.36870	0.4
171.11330	0.5
173.12970	0.5
173.35733	0.4
176.07100	1.2
177.10246	2.8
179.04633	0.5
181.06236	0.6
181.09724	1.7
185.09196	0.8
186.08727	8.6
187.07130	4.1
187.08644	0.9
188.10643	0.8
191.08165	0.4
191.14430	0.4
193.09703	20.0
195.07574	1.9
195.90810	0.5
196.07256	0.6
197.10297	0.6
198.08896	0.8
199.12325	0.9
200.10744	0.7
202.08679	0.5
203.08289	1.1
203.10291	0.9
205.09732	4.1
206.09235	0.7
209.15549	0.5
212.10240	2.0
213.08681	2.0
214.13501	0.5
215.08128	1.5
216.14969	1.6
217.13405	1.8
219.10097	0.7
221.09143	5.4
222.12401	2.6
223.07193	1.4
224.10445	0.8
226.08368	0.5
227.11856	1.0
230.11279	1.1
231.11372	0.5
232.10718	0.5
234.08742	0.9
235.07414	0.5
238.12105	1.1
238.17918	0.8
240.09587	2.0
241.08119	3.8
242.09071	0.4
242.12865	4.4
243.11108	1.0
244.09547	0.5
244.14445	4.4
245.12862	0.6
252.09848	1.2
255.41072	0.4
258.10876	1.5
259.11139	0.7
259.15512	16.7
260.09131	0.4
261.12540	0.6
262.15594	0.6
268.16733	0.4
270.10895	1.2
271.15561	0.6
280.09290	1.6
281.07782	1.4
284.13919	0.5
286.11945	0.6
287.10309	0.5
287.15012	2.5
288.13351	0.6
297.11850	0.8
298.10123	3.9
302.15005	0.6
303.14490	6.5
304.12741	3.1
309.11801	0.5
315.09894	0.4
315.13324	1.8
316.12878	0.9
316.17673	0.9
323.13980	0.5
332.12219	1.0
333.15616	1.1
337.11511	0.6
338.10135	1.0
343.14139	0.6
344.17065	0.7
355.12671	0.8
360.16461	2.5
361.15710	0.6
361.19656	2.0
372.15549	0.5
377.19766	0.5
417.18408	0.5
428.19513	0.6
433.17035	0.9
443.20267	0.6
444.23636	1.2
472.17838	0.6
472.23654	0.7
490.19202	1.1
527.21393	0.5
542.22357	0.5
573.27838	1.4
592.77551	0.5
601.26636	0.7
804.33496	0.5
821.36621	0.6
838.38208	100.0
839.38501	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	836.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	4.2
60.04498	0.6
61.02911	1.3
62.79523	0.6
67.05495	6.0
68.99777	0.9
69.03414	7.4
69.07056	97.2
70.06580	10.3
70.07388	1.2
70.85714	2.3
71.04982	4.3
71.08621	0.8
72.08147	2.4
73.02909	1.4
73.06551	2.8
79.05479	2.3
81.03410	7.5
81.07049	11.5
83.08605	41.9
84.04494	1.6
84.08113	1.9
85.02888	17.3
85.06532	2.1
86.09686	5.9
87.00819	4.5
87.04460	13.4
87.10026	0.9
89.06015	100.0
91.05447	1.7
93.07036	2.6
94.06550	1.3
95.04942	1.5
95.08588	8.7
97.02872	6.3
97.06509	1.4
97.10154	2.9
99.04442	3.7
99.08078	2.7
103.07563	1.8
105.01832	4.1
105.07014	2.6
107.07059	5.0
107.08579	1.9
109.02857	8.3
109.06403	0.8
109.10136	6.2
110.07090	0.8
111.04419	1.1
113.09657	1.0
117.01852	0.9
117.09074	3.3
119.08549	1.7
120.08072	4.0
121.10139	1.1
123.11689	2.3
125.13232	11.3
127.03902	9.2
127.31836	0.7
129.10161	1.3
130.08614	2.7
131.03275	1.0
131.07033	5.8
131.08510	0.8
133.08577	71.9
135.11667	1.1
136.07556	2.6
137.05884	0.8
138.05444	1.3
138.09093	1.3
141.12677	1.1
143.14262	2.3
145.04886	1.9
145.10097	1.0
147.11693	0.8
148.07521	0.7
149.09534	0.8
149.13184	0.9
151.09537	0.7
151.14752	1.4
155.14287	0.9
157.10052	1.0
159.02812	2.7
159.09097	0.7
159.11591	0.9
160.03900	1.1
160.21968	0.6
161.11613	1.2
163.82916	0.7
165.16344	1.2
169.15865	0.8
171.29736	0.7
175.09630	5.0
177.11195	38.4
178.04947	1.0
183.17387	3.0
186.08876	0.7
193.10696	0.8
195.12239	0.9
201.18523	0.8
211.12309	0.7
211.14417	1.2
212.09296	0.6
219.12224	2.0
221.10677	0.8
221.13814	11.8
222.18475	0.8
225.10292	0.8
227.19972	4.6
231.04852	1.4
237.09976	0.7
237.12892	0.8
238.17865	1.4
239.07997	0.8
239.11803	0.9
239.14801	4.1
241.13275	1.7
242.13562	0.9
245.20871	0.8
248.54207	0.6
251.07935	1.0
253.09601	0.9
263.07932	0.7
264.08594	0.8
265.09476	0.7
265.16501	3.7
266.10312	0.9
267.07919	0.7
267.11111	3.3
268.11603	1.7
269.12540	0.8
269.22369	1.4
271.22525	1.9
272.11368	1.2
279.07379	0.8
283.17422	8.7
285.12137	1.7
289.09100	1.2
291.07648	1.3
296.36444	0.8
299.09937	0.9
303.13071	1.0
309.18823	2.3
310.09277	1.0
311.10095	0.9
312.10220	0.8
313.11795	1.0
327.20071	6.1
337.08044	5.6
338.08521	4.0
339.09418	1.4
348.06921	0.8
353.21542	7.4
355.09192	7.3
356.09589	5.0
365.07401	1.0
366.07974	1.0
371.22684	47.1
372.22650	1.2
373.13708	1.1
374.14319	0.9
383.08646	5.9
384.08920	4.3
401.09467	2.4
402.09689	2.3
411.25821	11.1
415.25244	4.2
429.26871	4.8
465.33612	1.2
509.36377	1.6
553.39374	52.6
554.39185	2.0
571.40503	8.7
599.23700	1.3
624.20624	2.1
625.21722	0.8
636.71545	0.8
641.21954	1.4
642.22589	8.4
643.22424	1.2
656.24420	1.5
673.23810	1.0
674.25140	5.6
675.25665	0.9
690.11847	0.9
790.40741	0.7
804.27142	1.3
836.25494	0.9
836.46454	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	835.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.9
67.05476	2.3
69.03415	3.4
69.07062	1.7
70.06577	17.1
71.04978	1.8
71.10419	1.4
71.10760	3.0
72.08134	3.5
79.05487	3.1
81.03424	2.0
81.07030	5.6
84.04485	2.4
84.08134	4.9
85.02905	6.0
86.09690	9.3
89.06008	2.4
91.05441	2.0
92.04990	1.3
93.07030	4.6
94.06552	4.6
95.08604	3.8
97.02873	2.9
100.99670	1.3
102.05532	2.2
105.01883	1.7
105.07021	2.0
107.08591	1.9
108.08081	3.8
110.07112	2.2
115.08683	1.3
119.08574	2.6
120.08067	6.1
121.10097	1.9
121.58112	1.1
122.06039	1.8
122.09601	1.3
127.03910	4.0
129.10182	2.7
132.04437	1.4
133.08612	1.3
134.05988	1.5
134.93274	1.2
136.07545	9.3
137.06035	1.3
138.05472	13.7
138.09126	3.0
148.07581	2.1
152.07066	6.3
160.03864	7.6
162.05551	1.6
165.09084	2.9
166.04987	6.3
166.08617	3.0
178.04951	2.8
180.06616	6.3
183.14891	1.5
195.09297	1.5
196.06239	2.6
204.02922	3.9
204.06473	2.1
211.08736	1.9
211.12370	2.1
212.10782	2.1
212.16458	1.9
214.12312	1.3
222.03903	5.9
223.08600	4.1
223.10608	1.7
225.10225	4.0
229.13261	2.3
235.08621	2.8
236.05482	7.5
237.06496	3.5
237.10219	3.3
238.07414	2.3
238.17995	5.8
239.08084	3.4
239.11769	2.9
240.19446	3.6
241.09702	2.9
242.11867	1.9
243.11282	6.3
249.10156	1.5
251.08070	3.4
253.09598	3.3
256.12018	1.6
256.19031	3.1
257.09064	3.0
257.12897	6.2
259.14481	3.3
263.08020	2.8
264.05197	1.4
264.08899	4.1
265.09650	2.6
266.06778	2.2
266.10376	4.2
267.07614	5.1
267.11060	6.5
269.09183	3.1
271.10754	2.4
272.11459	11.0
277.05826	2.0
279.07642	10.3
279.10706	2.2
281.09070	2.3
283.07336	2.1
283.10870	1.7
285.04730	1.7
285.12302	18.6
291.07608	6.0
292.04678	7.1
293.09229	3.3
295.07181	3.2
295.10507	2.2
297.08618	6.5
297.11829	2.0
299.10620	1.4
301.11917	7.6
303.13248	9.0
305.05530	4.9
309.08627	4.3
309.12057	2.5
310.05777	8.3
310.09436	6.4
310.12534	1.5
311.10162	16.0
315.09735	2.0
319.07224	1.8
321.08621	3.1
323.06561	12.2
325.11621	2.4
337.08139	63.3
337.11502	2.3
338.08279	2.3
339.09750	12.3
341.07596	3.3
342.08417	2.5
355.09177	92.8
357.10800	4.4
365.07596	10.7
371.12271	1.6
373.13937	2.3
383.08682	71.7
401.09698	25.2
402.18088	1.4
420.19077	3.0
424.30530	1.5
438.20187	4.2
464.17575	2.2
476.17978	2.4
477.36731	1.9
536.20081	4.7
537.20569	2.1
583.25317	1.8
595.22284	1.6
597.23578	6.1
605.20410	1.6
615.27960	1.5
623.21014	7.9
627.24030	4.4
629.26202	2.9
641.22296	83.8
642.21417	1.7
655.23798	10.2
659.26666	3.6
673.24933	100.0
674.25043	3.5
679.97601	1.5
712.23083	4.0
767.24005	1.5
785.26569	1.9
803.27155	4.3
817.28662	2.1
835.28717	2.8
847.33167	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	835.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.5
69.03384	0.5
69.07014	0.5
69.82678	1.0
69.83116	1.2
70.06571	1.6
72.08121	0.3
81.03358	0.3
81.06985	0.4
83.08548	0.3
84.08102	0.5
85.02830	1.1
86.09651	0.7
89.05986	0.4
91.05428	0.5
92.04956	0.7
94.06558	2.7
95.04898	0.3
95.08531	0.3
96.04381	0.3
97.02856	0.4
104.04903	0.5
106.32973	0.3
108.04401	0.7
108.08067	0.7
119.08545	0.4
120.04416	0.4
120.08012	0.8
122.05975	1.1
130.02817	1.0
130.06459	0.4
132.04362	1.3
134.05919	0.7
136.07571	2.6
136.90358	0.3
138.04439	0.6
138.05481	11.7
138.09114	2.1
139.05769	0.4
142.07712	0.4
145.08650	0.3
146.05936	0.6
150.05415	0.6
150.09012	0.4
152.03384	0.7
160.03915	7.9
161.04277	0.4
162.05406	0.6
163.04997	0.4
166.04953	5.1
176.03310	0.5
178.04974	2.5
180.06546	0.7
181.07469	0.4
182.08327	0.5
183.09073	0.8
184.11223	0.6
186.01741	0.4
186.12675	0.6
192.06522	0.7
193.07631	0.6
195.05507	0.6
195.09148	0.9
196.06230	3.0
196.09903	0.7
197.10661	0.6
198.07771	0.4
199.08530	0.6
201.10089	0.4
204.02864	5.3
207.09074	1.2
208.06114	0.7
208.09793	0.4
209.07010	1.0
209.10486	0.4
210.07742	0.9
211.08598	1.4
211.12244	0.8
212.10858	1.6
213.10156	1.5
213.13728	0.7
214.12411	2.3
221.07054	1.8
222.03932	8.5
222.07767	1.3
223.08656	2.9
224.05772	1.5
224.09305	0.7
225.06554	0.4
225.10234	2.0
226.10767	0.4
227.08084	0.9
227.11737	0.5
228.08810	0.7
229.09630	0.8
229.13315	1.9
230.11623	1.1
235.08578	3.2
236.05515	5.4
236.09352	1.4
237.06619	3.3
237.10115	2.6
238.07292	2.2
238.10855	0.6
239.04482	0.4
239.08089	3.4
239.11736	1.5
240.05136	0.4
240.10188	0.6
241.09665	1.1
241.13354	1.3
242.06764	0.9
242.11635	1.1
243.11249	2.6
249.06476	1.4
250.07170	1.2
251.08115	4.7
252.08778	0.9
253.06161	0.6
253.09669	2.1
255.11139	1.0
257.09070	0.9
257.12787	4.2
259.14371	4.4
263.08118	3.8
264.05249	2.9
264.08884	4.8
265.06012	1.1
265.09604	2.5
266.06836	2.5
266.10416	2.8
267.07578	5.4
267.11197	3.8
268.04691	0.6
269.09122	3.1
270.06506	0.6
271.10678	2.2
272.07922	1.1
272.11493	7.7
273.08606	0.7
273.12119	0.7
275.13791	0.6
277.06021	2.8
278.06851	0.7
279.07596	8.8
280.08087	0.6
281.09225	1.6
282.06561	0.9
283.07025	1.8
283.10678	1.3
285.05362	1.6
285.08975	0.8
285.12265	12.9
291.07593	8.0
292.04788	6.5
292.08023	0.6
293.09109	4.1
294.06204	0.8
294.09454	0.5
295.07111	3.1
295.10394	0.7
296.07739	1.4
297.05161	0.6
297.08591	5.5
298.09366	0.8
299.10004	0.4
300.10995	1.6
301.11728	4.3
303.09985	0.5
303.13327	7.0
305.05502	6.8
307.07062	1.0
309.08612	4.6
310.05740	6.2
310.09418	8.7
311.06955	0.7
311.10190	16.7
312.10245	0.9
313.08121	0.7
313.11670	0.6
315.09525	2.0
319.07077	2.5
321.08640	2.2
323.06558	12.2
324.07050	0.9
332.09918	0.5
337.08112	82.8
338.08447	4.0
339.09689	11.7
340.06744	1.2
340.10300	0.5
341.07535	2.2
342.08420	2.5
347.06635	2.5
355.09174	100.0
356.09467	4.1
357.10672	4.4
365.07596	14.8
366.07944	0.5
371.12250	0.8
378.18048	1.0
383.08667	83.6
384.09039	3.2
389.13651	0.3
401.09735	33.4
402.10098	1.4
420.19040	3.5
432.15555	0.4
438.20242	4.5
464.18134	0.8
537.21283	0.4
545.14172	0.4
555.23462	0.4
579.22546	0.6
581.20374	0.6
595.21912	1.2
597.23389	10.1
598.23621	0.8
599.21527	0.5
623.21252	8.0
624.21265	1.1
627.24323	1.1
629.25922	3.6
630.25873	0.5
641.22308	90.9
642.22504	7.1
655.23895	6.8
656.24713	0.5
673.24921	66.6
674.25092	4.9
690.72009	0.4
785.26447	0.5
817.28717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02864	0.5
67.05455	0.5
69.03411	2.8
69.07056	1.9
70.06576	2.7
71.04946	0.6
71.76836	0.6
72.08093	0.7
73.02864	0.7
78.81149	0.4
79.05439	0.8
80.50503	0.4
81.03339	1.6
81.07009	0.8
83.08588	2.3
84.08061	0.6
85.02896	3.9
86.09670	0.7
87.04404	1.0
94.06468	1.2
95.08556	1.0
97.02896	2.0
97.06490	0.5
97.10117	0.8
99.04397	0.7
102.40350	0.4
103.03871	1.4
105.06951	0.4
108.04382	0.4
109.02827	0.8
109.10073	0.6
110.07133	0.6
111.19134	0.4
115.05444	0.5
120.08081	0.7
122.06004	0.4
126.00751	0.4
127.03852	1.6
130.06490	0.4
131.98360	0.4
132.08037	0.9
134.05855	0.7
135.47655	0.4
136.07574	2.1
138.05440	1.9
142.06458	0.6
144.08020	0.7
146.05916	0.8
146.08344	0.5
148.07481	0.6
152.03362	1.1
156.07985	0.6
159.09137	0.8
160.03915	0.5
160.07558	2.5
162.05441	1.8
162.20985	0.5
168.08075	0.6
169.07495	0.7
170.05962	0.7
171.09158	0.6
172.06285	2.9
178.04912	1.4
180.06546	12.5
180.08022	0.5
182.04395	0.5
182.08304	0.6
183.09082	1.1
185.06993	1.2
186.01666	0.4
186.09079	0.5
186.12723	0.7
187.08618	4.6
188.09178	0.6
188.10687	0.6
189.08574	0.6
189.10197	8.6
193.07506	0.6
195.09093	0.8
196.06262	3.0
197.06946	1.1
197.10747	0.5
199.08580	1.0
201.10194	0.6
202.07318	1.4
204.02850	1.7
207.09113	1.3
208.09776	0.6
209.06947	1.3
209.10576	0.7
211.08603	1.9
212.09163	0.7
213.06534	3.0
213.09998	1.9
214.07016	0.9
214.08795	1.0
214.12251	0.4
215.08087	6.5
215.11526	1.0
221.07024	1.9
222.03938	5.2
222.07709	1.1
223.08627	2.5
224.05742	1.4
225.06273	0.5
225.10155	1.3
227.08051	1.7
228.08783	0.6
229.09778	2.6
229.13364	2.5
231.11475	0.5
231.14767	0.7
233.06842	0.9
233.09178	18.7
235.08601	3.2
236.05511	4.0
236.09169	0.5
237.06535	2.5
237.10152	2.4
238.07224	0.6
239.08095	2.9
239.11758	1.3
240.19408	0.5
241.05988	3.1
241.09595	1.7
241.13252	1.8
242.10376	1.0
243.07527	0.5
243.11266	9.0
244.12015	0.8
249.06554	1.5
250.07224	1.5
251.08150	3.5
252.08801	0.9
253.05907	0.6
253.09683	2.0
255.07762	0.6
255.11230	1.0
256.08365	1.2
256.11914	0.5
257.09174	17.2
257.12711	2.0
258.09338	0.6
258.13657	0.8
259.14410	11.6
263.08090	3.6
264.05240	1.9
264.08838	5.7
265.06046	1.9
265.09610	2.9
266.10312	1.0
267.07587	6.4
267.11218	1.5
268.04691	0.7
268.08301	0.6
269.09183	4.5
269.11942	0.6
270.06403	0.5
270.09650	0.5
271.10730	1.6
272.07797	1.0
273.08609	0.9
273.12073	0.6
277.06003	2.3
278.06760	0.6
279.07657	3.4
280.08255	0.9
281.09146	3.2
282.06424	0.7
282.18442	0.4
283.07227	4.0
283.10419	0.7
285.05069	1.6
285.12286	39.0
286.12619	1.3
287.10217	8.4
291.07584	9.6
292.04880	4.4
292.07877	0.9
293.09097	4.8
294.06506	0.7
294.09787	0.4
295.07059	4.3
295.10703	1.1
296.07831	1.7
297.08640	3.6
299.10257	0.6
300.10947	1.3
301.11731	0.9
303.13495	0.5
305.05472	6.0
306.06155	0.7
307.07080	0.7
309.08609	7.5
310.05762	5.7
310.09402	7.5
311.06659	0.5
311.10141	5.8
313.08209	0.9
313.11630	0.9
315.09766	5.6
319.07080	3.9
321.08673	2.9
323.06580	13.7
324.07040	0.8
325.08243	0.7
327.13306	1.1
337.08130	64.6
338.08517	2.9
339.09695	10.9
340.10245	0.5
341.07785	0.9
341.11346	0.6
342.08408	4.4
343.09082	1.2
347.06537	4.9
355.09192	100.0
356.09488	4.0
357.10538	1.2
365.07635	21.9
366.08044	1.2
371.12247	1.4
383.08688	64.1
384.08984	3.3
397.10205	0.8
401.09738	33.8
402.10236	1.4
415.11301	5.5
420.19022	1.0
421.19644	6.1
438.20242	1.7
447.17517	14.4
448.17587	0.5
479.95490	0.5
527.13104	1.1
545.13934	0.7
597.22870	0.6
600.25421	2.9
623.21210	0.5
624.21564	0.5
641.22345	17.9
642.22931	1.1
650.19727	0.8
655.24261	0.7
673.24860	7.8
674.25446	1.2
757.27246	0.9
775.28198	1.8
776.30133	0.5
785.26538	2.8
803.27588	48.6
804.28088	4.6
817.29132	1.3
835.30176	30.9
836.30469	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	834.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	20.6
61.02924	2.1
67.05483	5.2
68.09575	0.7
68.99776	1.7
69.03419	11.9
69.07058	45.1
70.06574	6.4
70.93776	1.9
71.05000	4.1
71.08624	7.7
72.08171	1.2
73.02916	1.7
75.04472	0.7
79.05495	1.2
81.03406	12.9
81.07037	14.2
82.63007	0.7
82.88918	0.7
83.04963	2.8
83.08605	100.0
84.04476	0.9
84.08128	1.4
85.02892	24.3
85.06533	1.8
86.09682	8.3
87.00819	10.3
87.04455	4.8
89.06017	41.9
89.89842	0.8
93.07066	0.9
95.04961	2.6
95.08595	11.6
97.02874	8.1
97.06503	1.0
97.10153	62.5
99.04428	4.4
99.08065	2.3
101.06008	2.8
101.09659	1.7
103.03937	1.4
103.07563	2.1
105.01847	5.8
105.07018	1.3
107.07071	2.1
109.02849	12.4
109.10148	6.3
111.04449	3.4
111.11720	8.1
113.09660	1.2
115.07531	1.0
117.09112	5.6
119.08598	1.2
120.08091	1.6
121.06514	1.6
121.10093	0.8
123.11649	3.8
125.13264	3.1
127.03895	17.8
127.04818	1.2
129.01814	0.8
130.08595	1.5
131.07051	2.0
133.08586	33.3
135.10165	2.9
137.13214	3.2
139.14784	3.4
145.04938	2.9
147.10143	1.7
151.14822	1.5
153.16273	1.4
157.15895	1.9
159.02869	3.0
161.11758	0.9
167.07054	0.8
175.09575	1.7
177.11209	17.1
178.04953	2.7
179.18011	2.5
185.08136	1.8
189.04015	1.0
191.12779	2.0
193.19456	1.5
195.12242	1.4
197.18977	3.3
199.14539	0.8
201.18443	1.5
211.20567	2.6
212.10759	0.9
212.16631	1.0
213.03990	1.4
215.20029	9.3
221.13795	4.4
222.04041	0.9
229.21544	10.8
231.05023	3.2
237.10030	1.1
239.14827	12.4
253.16621	1.1
255.23166	6.1
259.14392	1.0
259.22620	2.9
265.16492	2.1
267.07996	0.8
267.11169	1.5
269.24765	3.3
273.24188	16.4
279.07605	1.4
279.17923	1.9
283.07260	0.8
283.10620	0.8
283.17453	14.0
283.20386	1.3
285.12347	5.5
287.25787	1.8
289.08990	4.8
291.07581	1.3
293.09058	1.3
295.10629	0.9
297.19019	10.9
303.13538	1.4
309.08615	1.5
311.10287	2.7
313.27139	2.0
317.27100	1.1
321.08725	1.6
323.20685	3.1
337.08115	3.7
337.22226	3.4
339.09686	2.2
341.21664	11.5
355.09122	4.6
355.23166	5.6
365.07587	0.9
381.24625	3.3
383.08737	4.9
395.26251	1.4
399.25763	1.2
401.09772	2.2
402.84732	0.9
465.51917	0.9
551.41425	18.6
552.41895	1.2
569.42578	13.7
591.33130	1.0
597.23633	1.5
621.92999	0.8
623.21570	1.0
641.22290	12.1
673.25293	4.8
750.30817	1.0
834.49841	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	834.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06569	0.3
59.04977	0.3
60.04486	0.6
61.01170	0.2
61.02919	1.7
62.06069	0.4
67.05495	2.8
68.89415	0.2
68.99739	0.8
69.03419	9.4
69.05827	0.2
69.07053	6.9
69.43782	3.1
70.02898	0.3
70.06580	3.8
71.01305	0.3
71.04977	1.6
71.06877	0.3
71.08582	0.5
72.08144	1.7
73.02900	1.3
79.05473	2.5
81.03399	8.6
81.05743	0.6
81.07045	5.1
82.06521	1.0
83.01299	0.5
83.04935	1.0
83.08609	3.2
84.04442	0.8
84.08130	2.4
85.02888	20.1
85.06493	1.2
86.06049	12.6
86.09685	1.6
87.00803	4.5
87.04428	0.9
89.06017	0.5
91.03907	0.4
91.05430	1.2
93.07023	3.5
94.06538	0.4
95.04908	0.9
95.08583	2.7
96.08107	8.5
97.02869	8.2
97.06522	1.4
97.10123	0.7
98.06041	2.7
98.09658	1.7
99.04436	5.2
100.02150	0.3
100.07568	0.3
101.02351	0.3
103.03896	1.0
105.01852	4.3
105.06970	1.0
107.08569	3.2
108.08112	3.2
109.02117	0.4
109.02856	8.5
109.06499	1.4
109.10099	1.2
110.07169	0.3
110.09657	3.4
111.04386	0.6
111.08016	0.8
112.07552	0.9
113.08318	0.3
114.09091	1.1
116.09887	0.3
116.10707	5.4
116.11509	0.6
117.01782	0.8
117.06959	0.3
119.04865	0.3
119.08515	0.5
120.08053	0.7
121.08789	0.4
121.10133	1.4
122.09647	1.5
123.04386	0.3
123.08002	0.9
123.11641	1.2
124.07570	3.2
124.10361	0.3
124.11180	1.9
126.09127	0.5
127.03888	11.1
129.01822	1.6
129.10191	0.5
131.08505	0.5
133.10080	0.8
134.09590	1.1
134.65445	0.3
135.11679	0.8
136.07532	0.7
136.11148	1.0
138.09079	0.9
139.09901	0.3
140.10666	0.7
141.09062	0.4
142.08601	15.4
145.04063	0.3
145.04933	3.2
145.10117	0.5
146.02690	0.4
147.02806	0.9
147.11559	0.5
149.13214	2.2
150.09087	0.4
151.03891	0.3
151.11147	3.8
152.10649	1.1
152.14301	0.5
153.12732	0.4
154.12216	2.6
159.02856	2.6
159.11620	0.4
163.03799	0.3
164.14314	0.7
165.09134	0.3
166.08559	0.5
166.12239	0.5
166.15877	8.0
167.12964	0.3
167.14288	0.4
169.04907	0.4
169.12221	4.6
170.11693	0.6
176.14305	0.7
181.04866	0.5
187.05974	0.6
189.03899	0.5
194.15363	3.7
199.90987	0.3
210.18465	1.3
212.16412	100.0
213.03870	0.7
213.16690	1.6
220.16812	0.4
225.09889	0.3
231.04945	2.3
231.15880	0.3
237.17033	0.3
237.19327	0.3
238.17967	34.7
239.18404	0.9
240.19441	0.6
249.06117	0.4
256.19022	90.0
257.17194	4.7
257.19495	1.2
298.20001	0.3
303.25354	0.8
310.23727	0.9
321.26315	0.7
328.24728	0.9
339.25366	0.3
345.24130	0.8
346.23715	0.3
352.24765	0.3
357.10934	0.3
363.25131	2.9
364.24741	0.7
374.21951	0.3
382.25800	0.4
383.08713	0.3
406.29492	4.7
416.22455	0.3
424.30484	79.6
425.30826	2.5
460.21695	1.0
504.24283	1.3
506.26883	0.3
578.28119	0.4
622.26929	2.2
628.36615	0.9
666.29742	3.0
672.35767	8.0
673.35706	0.4
722.55664	0.3
790.42273	2.7
816.40295	0.5
834.40979	13.0
835.41138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.4
60.04498	0.6
65.03899	0.4
67.05489	4.0
68.04991	0.7
69.03419	1.5
69.07056	4.7
69.98814	0.7
69.99222	1.1
70.02926	0.3
70.06581	12.2
71.04958	1.0
72.08113	1.2
75.28081	0.3
79.05486	4.7
80.05016	0.6
81.03384	0.7
81.05737	0.4
81.07043	4.8
82.06574	2.8
83.04963	4.1
83.08585	0.8
84.04493	2.2
84.08132	2.0
85.02895	3.7
85.06496	0.5
85.32397	0.3
86.09694	4.0
91.05469	3.4
93.05762	0.4
93.06487	0.3
93.07033	4.6
94.06557	7.7
95.04946	1.7
95.07291	0.7
95.08587	2.7
96.08116	5.4
97.02847	1.1
97.06452	0.5
97.10117	0.7
98.06014	0.7
98.09657	0.7
99.04420	0.4
101.07088	0.3
102.05529	0.5
103.37694	0.3
105.07021	2.9
107.04884	0.4
107.07323	5.1
107.08551	3.1
108.08099	8.2
109.02848	0.7
109.06454	1.0
109.08883	2.3
109.10101	0.7
110.07146	0.5
110.09666	3.1
111.00814	0.3
111.04419	1.8
111.08006	0.4
112.07569	1.1
116.07074	0.3
117.06973	0.9
119.08582	2.3
120.07259	0.3
120.08080	4.5
121.02822	1.1
121.06468	0.5
121.08860	0.6
121.10088	0.8
122.09650	7.5
123.10433	0.8
124.07589	0.4
124.11239	2.0
126.09070	0.5
127.03864	0.7
127.09920	5.5
129.05472	0.4
129.06871	0.3
129.10193	1.1
131.08499	0.9
132.08080	0.5
133.10057	1.1
134.09641	1.9
134.10512	0.4
135.04295	0.3
135.10417	0.5
135.11610	0.7
136.07542	2.0
136.11157	1.2
137.05911	1.2
138.09102	0.6
140.10675	2.8
143.08548	0.6
143.11818	1.5
145.08907	0.3
145.10036	1.2
146.09576	0.5
147.04367	0.5
148.11165	0.7
150.12706	0.8
153.01782	1.1
157.10159	0.4
161.13144	0.3
163.11122	0.9
164.14337	0.5
165.01753	0.8
170.11720	1.2
171.11238	0.8
174.12750	0.6
176.14311	1.1
178.12216	0.3
178.15938	0.4
180.13774	0.3
183.33562	0.3
185.13243	0.5
190.15883	0.8
192.13766	1.0
192.17462	2.1
200.14336	0.4
201.12224	0.5
202.15871	2.1
205.52563	0.3
210.18591	0.4
213.05447	0.6
218.15350	2.3
220.16927	59.4
221.17265	1.3
222.18523	0.6
223.08496	0.3
236.16452	1.7
238.17979	52.7
239.18391	0.9
240.19504	1.0
248.34712	0.3
256.19031	24.1
257.19342	0.4
259.06146	0.4
280.18961	2.0
287.05457	52.6
288.05862	1.0
298.20108	3.2
303.23029	0.3
310.20120	0.9
322.20087	1.2
326.19479	0.5
330.20572	0.4
348.21667	5.1
366.22693	35.6
367.23047	0.7
384.23743	100.0
385.24051	2.2
475.35361	0.4
530.94507	0.3
546.28992	8.3
815.80774	0.4
832.33630	41.7
833.33826	2.4
855.77795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05468	0.4
68.05033	0.3
69.03423	0.3
69.07056	0.3
70.06581	100.0
70.37219	0.2
71.04978	0.4
71.06907	1.0
72.04487	0.3
72.08144	23.1
74.00159	0.2
74.06045	0.4
79.05467	0.5
81.03394	0.4
81.07024	0.6
82.06557	0.5
84.04494	3.6
84.08143	1.5
85.02894	1.5
86.09697	2.1
91.05463	1.2
93.07041	1.1
95.04935	0.6
95.08609	0.6
98.06044	1.0
100.03982	0.4
102.04859	0.3
102.05531	5.4
103.05449	3.8
105.07028	0.5
107.04968	0.3
107.08557	0.5
108.08099	0.4
109.02844	0.5
110.06046	0.3
110.07166	0.5
110.09713	0.3
114.05556	0.4
115.08665	0.9
115.44946	0.2
116.07079	1.4
119.04927	0.3
120.08084	94.7
121.08453	1.3
126.05486	0.8
127.03872	0.6
128.07080	0.5
129.10211	0.7
130.05019	0.3
130.06502	0.6
131.04884	0.5
132.08047	0.4
134.04495	0.4
136.07550	0.9
138.09152	0.3
141.10201	36.9
142.10516	0.4
143.11772	8.2
146.09621	0.8
149.02286	0.4
149.05862	0.3
159.03059	0.3
159.09171	0.4
169.09698	42.9
170.10016	0.4
171.11256	4.8
172.11192	0.7
174.12735	0.7
176.07297	0.2
178.33214	0.3
185.09203	0.3
186.09102	4.1
186.12369	0.5
186.52644	0.2
187.10915	0.3
191.11708	0.5
204.10147	1.0
217.13329	6.2
218.71895	0.2
219.10054	0.5
219.14864	0.3
220.10547	0.4
220.16936	0.4
222.18542	0.3
229.28268	0.3
231.11255	1.0
233.11305	5.7
238.17987	1.7
239.18642	0.3
240.17036	1.9
240.19576	0.8
241.09520	0.5
243.14952	0.4
245.12823	6.8
247.10706	0.4
249.12308	14.3
259.10840	1.6
262.15405	0.5
268.16516	11.0
269.08990	0.3
271.14352	0.2
273.12213	0.4
275.13855	0.8
277.11792	9.7
287.10193	0.4
303.13315	0.6
303.17004	0.7
304.15070	0.5
316.13080	0.4
316.16537	4.7
331.16379	0.5
356.15869	0.3
360.16907	0.3
374.17075	0.6
376.18747	0.5
378.18112	0.3
379.16263	0.3
383.19171	0.6
387.23895	1.3
401.20248	53.6
402.16028	1.1
402.20682	0.8
406.17511	0.4
415.23334	3.4
424.18600	3.7
427.19675	0.8
428.88806	0.3
445.20648	0.9
450.20151	0.8
475.35025	0.4
477.36417	0.3
478.23389	0.6
498.27161	1.6
521.24017	2.1
523.26105	0.3
526.26538	1.4
544.19525	0.3
544.27521	3.4
548.27069	15.4
549.26910	0.6
564.28699	1.1
592.18878	0.3
592.27643	5.2
646.32178	0.5
654.02197	0.3
663.34814	3.0
673.33490	0.6
691.34296	10.9
692.33838	0.6
784.16302	0.3
824.38501	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	823.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	7.9
69.03415	5.6
69.07060	13.4
69.57851	19.4
70.06580	62.6
71.04988	3.4
71.06898	2.5
72.08140	4.1
73.02905	2.2
74.06073	6.0
79.05481	7.1
80.04988	2.5
81.03399	6.3
81.07052	10.9
82.06557	2.5
83.08614	4.8
84.04475	6.5
84.08121	14.0
85.02889	9.0
86.09693	40.4
87.04470	3.1
87.16606	1.9
89.06004	21.5
91.05457	8.0
93.07023	8.0
94.06569	12.0
95.04939	4.7
95.07326	3.9
95.08598	5.8
96.08140	13.3
97.02885	4.5
98.06056	2.1
99.04440	2.4
105.07047	4.3
106.06536	5.2
107.07354	3.5
107.08618	2.7
108.08092	26.1
109.02889	3.6
109.10143	4.7
110.07114	2.5
110.09657	24.0
110.75972	1.9
110.89220	2.0
115.06890	2.0
116.04961	2.9
118.06572	3.5
120.04468	2.0
120.08092	28.8
122.05995	14.3
122.09650	4.6
123.08031	2.4
123.11696	2.6
124.07572	9.0
127.03918	7.1
127.08686	6.5
129.10223	8.5
132.08058	6.6
133.08592	12.7
134.05984	10.8
135.07973	2.0
136.07570	38.1
137.05968	4.7
138.05508	5.1
138.09119	95.5
144.04457	3.6
146.05969	16.6
148.07541	25.1
150.05460	6.0
150.09103	7.2
152.07050	56.7
153.07372	3.3
154.08597	2.6
155.08167	12.6
160.04044	2.4
160.07553	3.0
162.05510	6.1
164.07040	51.9
166.08594	17.6
172.03905	29.1
172.54572	2.0
174.05530	6.7
174.09114	5.7
174.12953	1.9
176.07028	9.1
177.11142	3.0
178.08612	3.6
180.06433	2.5
182.08118	24.3
183.14905	8.0
190.04971	16.4
192.10121	3.0
197.10886	2.6
199.12334	2.2
200.14227	2.5
204.06544	45.6
209.10681	3.1
210.11496	27.5
211.12334	7.3
211.14359	3.6
212.09306	2.2
213.10190	2.8
218.08093	4.9
218.15437	2.0
220.16925	5.1
221.10709	2.5
222.11284	2.3
223.12257	7.0
224.09363	2.8
225.10181	12.2
226.10944	4.4
227.11763	9.1
229.09822	2.6
229.13359	4.7
235.12315	4.6
236.09377	3.3
237.10225	16.6
237.13895	4.8
238.10968	9.8
238.17995	12.6
239.11777	21.1
240.12532	2.9
240.19566	6.3
241.13326	5.4
248.09422	4.4
249.10107	11.4
250.10945	8.8
251.07994	4.3
251.11778	25.4
252.08838	3.4
252.12596	7.7
253.09682	6.6
253.13289	8.6
255.11253	4.3
261.10150	3.0
262.10983	3.3
263.08145	2.9
263.08667	3.2
263.11758	32.1
264.08636	3.0
264.12415	4.8
265.09787	15.3
265.13229	13.2
266.10464	6.1
267.11276	25.1
268.11960	6.0
269.09598	3.4
269.12799	24.1
271.10995	17.4
271.13928	14.7
277.09714	9.4
277.13138	3.5
278.10495	4.8
279.11234	63.9
280.11899	8.0
281.09637	2.1
281.12726	11.9
282.10382	2.5
282.13458	4.8
283.10632	7.9
284.11563	8.9
285.12317	24.0
289.15604	2.7
291.11462	11.9
292.12006	5.0
293.09186	6.8
293.12823	17.0
294.13419	3.7
295.10638	9.0
296.11646	9.7
297.12292	100.0
298.12946	5.6
299.13837	6.8
300.14703	4.7
307.10651	7.4
309.12292	53.3
310.13000	12.8
311.10196	8.2
311.13898	7.2
313.11951	4.8
315.13428	6.5
316.14615	3.6
319.10635	11.4
321.12283	16.8
323.10226	15.2
325.11731	19.1
326.12357	7.1
327.13364	7.5
328.14304	6.0
329.14938	5.9
330.15985	3.6
337.11786	41.3
337.22223	3.3
338.12531	10.5
339.13367	21.3
341.11230	15.7
342.16122	4.2
344.13452	8.4
344.17459	3.2
347.16397	3.0
351.13379	3.4
354.15936	3.3
355.12891	7.2
357.14511	7.0
358.15512	7.9
359.16095	3.2
360.17050	6.9
365.21625	3.4
368.13583	2.7
369.14395	58.1
370.15417	10.2
371.15952	24.5
372.17047	4.0
373.14005	13.9
374.14575	2.4
374.18802	2.9
386.18945	3.2
388.16406	12.5
392.19662	3.8
400.16498	11.1
402.18161	11.2
413.17184	4.1
414.17944	4.1
416.19464	8.2
418.17484	8.9
421.19873	6.3
422.20627	6.7
428.15259	2.8
430.17599	17.3
432.19086	4.9
442.17593	13.4
444.19153	15.8
446.20709	5.9
447.17624	13.9
448.18591	75.9
449.19019	5.5
460.18604	68.6
461.18970	6.4
462.20267	9.7
466.20444	2.7
470.17212	12.1
472.18710	21.2
474.16479	6.8
475.35358	4.3
476.17969	2.7
477.36438	3.1
478.19171	2.8
480.21201	20.0
485.15305	3.3
486.16357	2.7
488.18085	22.6
489.18466	3.3
490.19641	4.3
492.21231	83.2
493.21399	3.4
494.22632	4.6
496.31216	33.9
503.16724	3.2
506.18765	2.6
520.20728	13.7
539.37750	5.3
540.37726	5.6
567.25604	10.6
585.26947	35.1
587.41907	2.4
593.23914	14.9
596.22131	2.4
609.23132	2.6
610.23792	4.0
611.24945	87.8
612.25079	6.4
617.29620	11.2
622.24066	2.5
627.24512	2.7
629.25848	22.6
631.35437	6.9
643.27673	43.2
644.27271	3.4
650.23547	4.4
661.25262	2.3
668.23993	7.4
670.25592	3.0
671.26501	3.0
700.26971	2.6
701.27264	4.6
737.28601	3.7
747.32397	3.3
755.28571	5.7
773.29846	11.8
791.31415	11.3
823.33710	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	17.2
61.02920	65.7
67.05496	24.2
69.03419	25.8
69.07054	6.9
70.06570	4.6
71.01343	2.7
71.04958	3.8
73.02905	21.1
75.04460	1.5
79.05478	17.5
81.03407	16.5
81.07047	28.9
82.06567	4.8
83.04953	5.1
83.08595	4.1
84.08120	1.4
85.02895	100.0
85.06525	2.2
87.04457	2.5
88.07605	2.0
90.91353	1.3
91.03947	49.3
91.05465	11.7
93.07032	20.1
95.04960	3.8
95.08600	23.6
97.02883	65.0
97.10165	1.7
98.21503	2.7
99.04435	11.5
100.07584	5.0
101.02365	5.2
102.09210	1.9
103.03925	8.8
105.07017	11.4
107.08579	11.8
109.02887	8.9
109.03552	1.5
109.06521	1.7
109.10138	11.5
111.04414	4.9
115.03897	6.0
117.05462	3.1
117.07008	4.4
119.08536	8.8
121.10126	10.2
123.07887	2.0
123.11700	3.6
127.03898	33.4
128.07080	1.7
129.05469	5.2
129.06998	2.0
131.08546	7.3
133.05127	1.3
133.06331	1.4
133.10091	6.6
135.11667	6.5
137.09570	1.6
137.13191	1.3
145.04955	29.2
145.10078	5.1
146.08090	19.8
147.11694	8.5
149.02342	8.6
149.13234	4.3
157.10158	1.7
159.06564	1.9
159.11662	5.4
161.13263	5.0
163.05997	22.3
163.14769	2.3
169.10062	1.7
171.06558	1.5
171.11638	1.5
173.13242	4.4
175.11488	1.7
183.06537	7.4
183.11639	1.9
187.14774	1.6
193.04970	5.6
199.14847	2.8
201.07547	6.5
219.08414	1.7
226.25914	1.4
228.23213	6.0
243.21111	2.9
259.20563	2.8
261.22083	15.1
285.22476	1.4
291.23123	1.5
303.23163	3.1
317.24371	2.0
327.23026	2.1
335.25769	49.2
351.23160	3.1
353.27280	2.2
359.25690	1.7
363.25302	2.9
369.24301	7.1
377.26736	4.1
387.25183	1.4
389.26846	1.9
405.26251	2.5
419.27713	1.7
443.27795	5.2
461.28870	4.9
479.29941	12.0
497.30832	4.3
822.36487	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	821.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	18.0
57.07067	2.1
59.04987	1.4
59.13734	1.0
61.02917	74.9
64.79179	1.0
65.03926	1.5
67.05494	30.2
69.03423	26.5
69.04296	0.9
69.07064	6.5
70.06580	2.8
71.01339	4.1
71.04996	5.6
71.14406	0.9
72.98283	0.9
73.02905	24.2
75.04462	1.5
79.05487	17.8
81.03407	19.5
81.07047	31.2
83.04963	2.8
83.08617	3.2
85.02895	100.0
86.09667	1.7
87.04457	4.8
91.03945	54.8
91.05466	12.1
91.27074	0.9
92.40365	1.2
93.07030	24.0
95.04955	3.1
95.08592	24.7
97.02878	73.1
97.06525	2.6
97.10155	1.7
98.20737	3.4
99.04440	14.6
99.08103	1.0
101.02369	4.9
103.03284	1.9
103.03928	23.1
105.07021	10.7
107.08570	12.3
109.02868	14.8
109.06496	2.9
109.10136	9.9
111.04417	3.1
115.03893	8.9
117.05475	1.8
117.07006	5.0
119.08577	8.2
121.10121	11.6
123.08029	1.3
123.11691	6.3
127.03902	40.2
129.05461	5.7
129.07016	1.7
131.08548	7.2
133.10097	7.5
135.11685	9.2
137.05975	1.2
137.13222	2.5
137.43359	1.4
143.08601	1.5
145.04941	33.4
145.10114	6.8
147.11700	6.6
149.09592	1.3
149.13211	6.9
155.08568	1.2
157.10127	2.0
159.06479	1.8
159.11681	6.8
161.13225	3.6
161.33556	1.3
161.62881	1.1
163.06000	26.6
163.14780	5.0
171.06503	2.1
171.11644	1.4
173.13245	6.1
175.14806	3.0
177.16353	1.5
183.06511	14.2
185.13263	1.2
187.14844	3.3
189.12698	1.3
190.91576	1.0
191.14290	1.3
197.13068	1.7
199.06122	1.6
199.11528	1.2
201.07542	11.1
201.16364	1.2
215.17952	1.4
219.08641	5.0
229.73343	1.3
233.22711	1.2
243.21086	8.6
259.20551	1.8
261.22128	26.1
272.16089	1.2
277.21783	1.8
279.23117	2.1
303.23138	2.5
315.23132	1.6
317.24774	1.6
327.23187	1.6
335.25754	59.0
336.25992	1.7
341.24619	1.3
348.17657	1.1
348.94153	1.1
353.26791	4.3
357.02438	1.3
363.25064	5.3
369.24301	5.0
375.25256	1.5
377.26877	3.7
387.25281	2.4
389.26526	1.7
405.26379	2.0
431.28082	1.6
443.27960	5.7
461.29108	6.7
479.30032	14.0
497.30869	4.4
566.80389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	65.7
59.04990	13.2
65.99615	0.9
67.05533	1.2
69.07051	1.4
71.08621	41.6
71.74812	1.8
71.75233	1.5
73.02896	2.8
73.06563	4.8
75.19286	1.0
83.08599	1.6
85.10168	35.3
87.04459	18.6
89.06018	100.0
97.10171	1.3
97.94447	0.9
99.11733	6.1
101.19056	1.0
103.07563	7.2
107.07055	4.6
109.10156	1.2
113.13282	2.2
117.09122	6.3
126.17414	0.8
130.08615	5.0
131.07040	7.0
133.08586	74.5
152.61058	1.0
155.17952	3.7
158.57024	1.1
159.10196	0.9
161.11696	2.5
175.09709	4.5
177.11208	33.7
207.31055	0.9
213.22101	4.0
219.12268	1.1
221.13774	6.9
223.15311	0.9
225.11795	1.0
239.14948	1.4
257.24783	5.1
266.28152	0.9
283.17361	5.0
309.19028	1.2
327.19955	1.4
591.35828	6.3
609.85590	1.0
786.56268	1.0
820.59454	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	820.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	94.8
59.04993	30.9
66.86243	1.2
69.07051	2.2
71.08624	100.0
71.57546	1.1
71.79086	1.5
73.02898	1.6
73.06548	4.2
83.08627	3.7
85.10173	93.8
87.04462	19.0
89.06020	93.6
91.07584	2.0
97.17567	1.2
99.11724	9.9
101.06029	1.5
101.09676	2.4
103.07558	1.4
107.07033	3.6
116.51965	1.4
117.09106	9.9
130.08652	5.1
131.07047	8.7
133.08589	81.8
141.16385	11.5
157.08521	1.7
161.11736	1.7
171.11690	1.3
175.09694	6.4
177.11197	36.1
181.19432	1.3
199.20540	25.8
219.12215	3.1
221.13806	6.9
239.14929	2.9
240.23230	2.6
257.24719	14.9
267.18115	2.1
283.17511	5.6
309.19073	1.8
353.21600	1.7
415.25278	1.9
503.30545	2.1
529.32330	1.4
547.33173	14.3
587.35809	1.9
803.56403	2.3
820.60376	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	820.5916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	5.3
62.37226	3.7
63.77185	3.3
67.05492	34.7
68.52853	3.7
68.74043	3.7
69.07068	8.8
70.83014	13.8
79.05501	17.5
81.07056	29.5
85.05144	3.4
91.05460	11.2
93.07027	24.5
95.08582	21.4
96.09748	3.3
105.07011	7.0
107.08555	13.2
109.10143	7.9
119.08569	8.9
121.10117	11.5
123.11700	4.6
135.11674	7.7
137.13251	4.2
147.11671	8.1
149.13261	7.5
161.13179	5.2
173.13260	6.3
207.45496	3.6
261.21991	10.5
335.25781	100.0
336.26108	12.8
337.26862	11.1
339.56161	3.9
438.87622	4.2
595.46960	16.3
613.48212	5.0
615.48254	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	820.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.8
57.07065	16.8
59.04990	13.8
61.02916	1.0
67.05489	5.8
67.05791	0.7
68.99780	1.2
69.03416	9.7
69.07056	49.3
69.47768	0.4
69.82118	1.2
69.82529	2.4
70.06585	3.7
71.04986	4.1
71.08612	4.8
73.02897	1.9
73.06542	1.5
73.06930	0.4
79.05483	1.3
81.03405	10.8
81.07040	13.8
83.04966	1.6
83.08604	100.0
84.04501	0.7
84.08141	0.5
84.08939	1.8
85.02887	19.6
85.06522	1.7
85.10143	0.8
86.09696	1.3
87.00813	8.3
87.04447	6.8
89.06014	66.5
90.06331	0.5
91.05475	0.9
91.07562	0.7
93.07027	1.7
95.04949	2.0
95.08597	10.0
97.02858	7.2
97.10150	41.9
98.10476	0.7
98.20815	0.6
98.38716	0.5
99.04430	4.6
99.08095	2.4
101.06019	0.6
101.09650	0.8
103.07571	1.6
105.01852	7.5
105.07005	0.8
107.07047	3.2
109.02865	9.7
109.06464	0.7
109.10131	7.2
110.07112	0.4
111.04417	1.7
111.11705	4.4
113.09617	0.8
117.01826	0.6
117.09114	3.6
119.10671	0.7
120.08092	0.5
121.06461	1.1
121.10142	0.5
123.11683	5.1
125.13248	4.1
127.03898	12.4
129.01837	0.9
130.08626	1.9
131.03354	0.7
131.07010	3.0
131.10640	0.7
133.08582	48.5
134.08870	0.7
135.10146	0.7
137.09579	0.5
137.13229	3.9
139.14796	4.5
143.14268	1.4
145.04904	3.0
147.10120	1.4
149.05969	0.5
151.09561	0.8
155.14305	1.2
157.15810	1.5
159.02834	3.2
159.09052	0.5
161.11729	0.6
165.16345	1.5
167.07089	0.6
169.15703	0.7
171.17484	0.7
175.09680	2.8
175.13145	0.6
177.11194	29.5
178.11539	0.6
179.17874	2.4
183.17374	1.0
185.07904	0.8
191.12708	2.0
193.19518	0.6
195.12175	1.3
197.19040	2.9
198.90982	0.5
201.18497	2.3
211.20532	0.6
213.03815	0.9
215.20021	10.6
219.12154	1.3
221.13806	7.6
231.04810	2.1
232.12204	0.5
235.15289	1.1
237.16855	1.0
239.14851	5.9
241.09953	0.5
241.13371	0.5
241.21411	1.4
249.06021	0.6
253.16457	0.5
255.23129	5.7
259.22662	3.6
263.14810	0.8
265.16391	2.8
270.85608	0.5
273.24066	1.4
279.17841	0.7
283.17456	26.2
284.17752	1.3
289.09076	2.4
297.19083	3.9
299.25687	1.1
305.00443	0.5
309.18909	1.4
317.26718	0.7
323.20541	5.5
326.16650	0.6
327.20102	13.3
328.20334	0.5
337.22092	0.7
341.21631	15.1
342.21719	0.6
355.22968	1.3
367.23291	3.8
381.24796	4.6
383.44507	0.6
385.24048	1.9
399.25372	1.5
537.39917	32.4
538.40424	3.1
555.40924	10.9
556.40717	0.8
612.25085	0.5
645.28540	0.7
686.70850	0.6
712.97552	0.5
820.29803	0.6
820.46942	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	818.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	6.2
57.07054	2.7
65.03943	1.5
67.05493	32.6
69.03421	1.6
69.07050	8.9
71.39849	1.9
74.74546	1.3
79.05482	17.0
81.06593	3.1
81.07041	32.0
83.04955	1.9
83.08589	6.0
85.06508	1.8
91.05461	11.0
93.07021	23.6
95.04983	2.4
95.08596	28.9
96.34245	1.6
105.07004	12.3
107.08569	17.0
109.10146	17.1
117.06971	4.8
119.08540	12.7
121.10112	16.4
123.11666	7.0
125.09566	2.0
131.08592	8.7
131.09363	1.9
133.10086	10.6
135.11681	8.9
137.13202	1.5
143.90825	1.7
145.10077	6.3
147.11674	9.3
149.13235	5.1
157.10098	1.6
159.11642	6.4
161.13217	5.7
163.14761	4.5
171.11588	1.9
173.13214	4.9
175.14755	3.1
185.13217	1.8
187.14847	4.0
199.14931	2.0
201.16403	1.7
228.47829	1.8
238.17755	2.7
241.19440	2.9
243.21028	6.1
259.20581	10.2
261.22089	18.1
263.23633	1.9
278.28033	1.5
317.24451	2.2
333.24088	7.9
335.25745	100.0
337.27377	9.5
477.36740	2.0
478.36844	3.0
521.43427	3.2
566.59930	1.9
595.47156	18.8
613.48206	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	808.555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	17.1
57.07056	2.5
58.03775	0.5
59.04977	0.8
61.02909	4.0
65.03930	3.2
67.05492	63.3
68.05851	0.7
69.03411	1.8
69.07055	17.4
69.33876	2.0
69.34300	5.5
71.04984	2.9
71.08614	1.0
73.02896	0.5
76.96849	0.5
79.05477	47.0
81.03398	2.2
81.07040	64.6
82.07379	0.7
83.04965	2.8
83.08601	8.5
85.02891	3.4
85.06525	3.4
91.03946	1.4
91.05464	35.1
93.07026	59.7
95.04953	6.8
95.08588	53.3
96.08922	0.7
97.00896	0.6
97.02867	3.1
97.06508	3.9
97.10136	3.9
99.04427	0.9
99.08054	2.4
103.05399	1.2
105.04517	0.7
105.07011	30.8
107.04969	0.8
107.08572	34.4
107.12770	0.6
109.06479	3.8
109.10134	21.4
111.08030	2.9
113.09629	0.9
117.06993	10.9
119.08557	26.0
120.08868	0.7
121.06462	0.9
121.10120	27.6
123.08055	2.0
123.11699	5.2
125.09595	1.6
127.03883	1.5
128.06171	0.7
129.05461	1.0
129.06969	5.0
131.08534	16.0
133.10101	20.9
135.08069	0.7
135.11668	18.3
137.09572	1.9
137.13268	1.2
139.11133	1.3
142.07692	0.7
143.08531	4.3
145.10089	15.6
147.11659	15.9
149.09590	1.7
149.13232	10.3
151.11192	1.4
157.10097	5.0
159.11656	14.1
161.13217	10.3
163.11171	1.7
163.14803	2.6
165.12715	1.3
169.10077	1.0
171.11639	4.7
173.13222	7.0
175.14810	4.6
177.12677	1.2
177.16318	0.7
183.11642	1.5
185.13197	5.5
187.11107	0.8
187.14810	8.7
189.12717	1.2
189.16336	1.1
199.14732	2.4
201.16365	1.7
203.17964	1.8
205.15848	2.2
213.16357	1.6
215.17958	0.8
217.15875	1.2
217.19389	0.9
221.18987	0.7
229.14294	0.8
229.19489	0.7
231.21066	1.5
239.18076	0.6
241.19507	8.1
243.21054	1.3
257.19009	1.6
259.20535	21.2
261.22131	7.4
269.17496	0.8
275.19992	1.5
277.21561	15.8
289.21634	1.1
293.21033	2.2
295.22684	0.8
315.23093	2.0
317.24539	2.0
333.24167	14.5
335.25742	100.0
336.26022	3.7
337.27292	2.8
351.25241	31.3
489.35693	0.7
497.30984	0.7
519.42029	1.4
529.38519	4.5
571.43079	1.2
593.45642	4.2
611.46552	36.9
612.46698	2.0
629.47803	1.3
715.08777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	17.4
57.07058	8.5
61.82520	3.5
61.97239	3.2
65.03902	5.9
67.05496	96.7
69.07062	32.3
69.76900	3.3
69.77258	26.9
73.92886	3.6
79.05481	83.4
81.06574	5.1
81.07048	92.5
83.04965	6.3
83.08603	11.5
83.34907	3.3
83.69139	3.7
87.04492	3.9
87.94705	3.3
89.06043	5.2
91.05467	77.7
93.06454	6.1
93.07030	90.1
95.04935	9.4
95.08601	76.2
95.38152	3.1
97.06543	6.4
97.10094	4.1
99.08078	4.4
103.05400	4.5
105.07018	76.3
107.04945	4.3
107.08577	55.4
109.06509	6.4
109.10142	29.3
117.07016	26.3
119.08570	51.8
121.06543	4.0
121.10132	44.4
123.11671	8.7
128.06163	3.6
129.06982	10.9
131.08546	39.9
133.10103	57.2
135.11668	30.7
135.57785	3.2
143.08522	10.6
145.10091	24.0
147.11671	38.5
149.13194	16.5
157.10092	11.5
159.11674	28.3
161.13223	26.0
163.14804	3.8
171.11635	11.7
173.13252	20.0
175.14767	12.3
183.11641	4.4
185.13225	15.5
187.14725	9.7
199.14864	8.8
222.94302	3.5
227.20024	5.4
231.21037	8.3
233.57141	4.0
241.19492	22.8
243.21066	4.2
257.18973	7.9
259.20551	55.7
261.22144	9.0
331.22693	8.9
333.24219	56.8
335.25735	100.0
337.27222	5.5
351.25171	5.9
471.74329	3.9
501.34851	4.1
519.42047	6.2
593.45447	13.5
611.46832	68.5
612.46625	5.9
719.48303	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	806.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	44.4
59.04992	12.4
63.36128	0.9
64.80332	0.7
70.06587	0.9
71.08621	48.0
71.71532	1.3
73.02905	1.8
73.06550	4.0
74.11082	0.7
83.08594	1.7
85.10169	40.5
87.04453	19.5
89.06019	100.0
91.07597	1.1
97.10146	1.0
99.11700	4.5
103.07548	7.0
107.07043	4.0
113.05999	1.1
117.09103	4.7
121.10052	0.7
127.83324	0.7
128.12901	0.8
130.08588	3.7
131.07024	6.3
133.08586	74.3
141.16382	3.0
151.09712	1.0
160.48740	0.7
161.11711	2.1
175.09639	6.4
177.11197	32.0
199.20551	5.2
219.12259	2.7
221.13820	5.9
223.15349	1.1
235.15546	1.1
239.14790	2.0
243.23180	4.8
253.25529	1.0
263.14822	0.9
265.16336	1.2
283.17545	4.4
309.19128	1.9
327.20078	3.1
348.83603	0.8
353.21835	1.2
359.01471	0.8
371.22900	1.0
484.81113	0.9
503.31073	0.9
547.33368	1.4
591.35956	5.8
631.39166	1.5
691.15973	1.0
789.54932	1.6
806.58905	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	806.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05830	0.5
57.03427	2.2
57.07069	17.8
59.04990	8.3
61.02918	1.6
67.05495	6.9
68.99791	1.1
69.03419	10.8
69.07058	56.1
70.06584	3.3
71.05003	5.3
71.08613	3.3
72.08159	0.7
73.02921	1.5
73.06536	1.5
79.05481	1.6
81.03409	8.4
81.07043	14.1
83.04958	0.9
83.08606	100.0
84.08105	0.7
84.08952	1.1
85.02890	18.1
85.06551	1.6
85.10130	0.5
86.09691	1.6
87.00816	6.6
87.04456	10.7
89.06016	92.1
91.05479	0.8
91.07595	0.7
93.07028	1.1
95.04957	1.2
95.08593	8.6
97.02882	6.3
97.10153	27.2
99.04447	3.4
99.08093	2.0
101.06001	0.9
103.03925	0.8
103.07601	2.1
105.01836	5.0
105.07040	0.9
107.07041	3.8
107.08568	0.6
109.02859	7.3
109.10136	6.2
110.07128	0.5
111.04420	0.9
111.11716	0.8
113.09613	0.8
115.08634	0.5
117.01836	0.9
117.09130	2.9
120.08089	0.6
121.10144	1.1
123.11689	4.7
125.05888	0.8
125.13230	6.8
127.03893	12.6
127.11178	0.7
129.01797	0.9
129.10176	0.5
130.08629	1.7
131.03407	0.8
131.07022	4.8
133.08585	70.4
134.08826	0.6
135.10191	0.7
135.11707	0.5
137.05995	0.7
137.09554	0.8
137.13248	1.4
139.14824	1.8
141.12668	0.9
141.22955	0.5
143.14319	1.3
145.04938	3.1
147.02960	0.9
147.10143	1.2
147.11626	0.5
149.05920	0.6
151.07552	0.6
151.14767	0.8
155.14297	0.7
157.15840	1.6
159.02885	2.8
165.16437	1.6
167.07033	0.7
173.11652	0.5
175.09645	3.8
177.11203	33.6
179.06949	0.6
179.17874	1.4
183.17418	2.1
187.14914	0.6
191.12871	0.6
193.10664	0.7
195.12228	0.6
197.19008	2.6
201.18486	3.5
213.03847	0.6
215.20078	0.7
219.12271	1.5
220.17018	0.6
221.11647	0.4
221.13782	11.8
223.12030	0.5
223.15285	0.8
231.05022	2.1
237.13287	0.6
238.18124	0.5
239.12361	0.7
239.14850	4.7
240.19577	0.6
241.21597	5.8
249.01501	0.5
249.05949	0.6
259.22607	0.9
263.14850	0.6
265.16415	2.9
283.17474	14.9
285.24356	1.6
289.09039	1.2
296.37769	0.5
309.19037	5.7
323.20572	2.5
327.20081	46.3
341.21661	6.3
345.14294	0.5
367.23270	11.5
371.22855	1.2
378.70175	0.5
381.24817	1.5
385.24332	7.0
399.25815	0.6
435.33112	0.9
469.29367	0.8
479.36255	0.6
487.30417	2.3
505.31055	2.0
523.38354	64.1
524.38397	2.6
541.39398	14.4
542.40027	0.6
741.14459	0.6
742.68298	0.6
806.46448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04983	0.9
57.07013	0.3
58.06594	2.0
59.04950	0.3
65.03909	0.7
67.05489	3.4
68.04999	0.6
69.03371	0.8
69.07061	2.8
69.40243	3.2
70.06583	13.9
71.04943	0.7
71.06879	0.4
72.08157	1.4
79.05060	0.3
79.05479	2.8
81.03378	0.4
81.07043	5.2
82.06526	1.1
83.04945	0.3
83.08551	1.2
84.04435	1.1
84.08138	2.2
85.02877	1.3
85.06502	0.6
86.09694	3.2
87.00792	0.4
88.03954	0.4
89.05979	0.7
91.05459	1.9
93.07025	2.6
94.06551	2.0
95.04897	0.8
95.07301	0.3
95.08067	0.4
95.08591	5.2
96.08121	3.4
97.06496	0.4
97.10117	0.7
98.09650	0.8
98.20779	0.6
105.07014	1.9
107.04900	0.4
107.07282	1.0
107.08546	1.7
108.08088	3.2
109.02860	0.5
109.06454	0.5
109.08862	0.5
109.10134	1.5
110.09619	1.3
111.04382	0.7
111.08041	0.3
117.06953	0.7
119.08519	1.3
120.08093	3.3
121.06463	0.4
121.10081	1.2
122.09640	2.4
123.08029	0.7
123.10348	0.3
123.11665	0.5
124.07566	0.3
124.11134	1.0
125.05965	0.5
129.06909	0.3
129.10176	1.1
130.06519	0.4
131.08537	0.5
132.08102	0.4
133.06451	0.7
133.08557	0.7
133.10095	0.8
134.05952	0.3
134.09601	0.5
135.11626	0.7
136.07581	1.5
136.11180	0.5
137.05939	0.6
138.05472	0.4
140.10640	0.4
143.08549	0.4
145.10059	0.8
147.11688	0.4
149.05965	0.4
150.09076	0.3
150.39317	0.3
153.05428	0.6
157.10086	0.3
159.09122	0.7
166.08604	0.3
167.06972	0.5
169.15814	0.4
170.11688	0.4
177.05507	0.6
177.12639	0.4
178.04959	1.0
181.04858	0.3
183.14803	0.6
184.75983	0.3
185.13142	0.4
192.17456	1.2
194.18861	0.4
202.15862	0.9
204.06479	0.3
218.15332	1.0
220.16934	20.4
221.17261	0.4
221.20038	0.6
222.18497	14.8
229.09637	0.3
236.16458	0.8
238.17981	45.9
239.18399	1.0
240.19548	47.1
241.19797	0.8
245.15392	0.4
255.11111	0.4
256.19101	2.1
257.12692	0.3
258.20636	0.6
262.17957	0.6
267.11234	0.3
285.12317	1.3
303.13452	0.5
337.11777	0.3
339.09634	0.3
459.35611	0.8
477.36826	100.0
478.36993	2.3
501.36975	1.0
519.37939	5.0
537.38678	0.3
555.36139	0.4
599.24927	0.4
627.27966	0.4
635.38843	2.6
653.40149	1.0
671.42413	0.9
787.44110	0.5
805.44708	11.9
806.45245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.2
60.04510	0.8
60.22828	0.1
63.65191	0.1
68.05000	0.4
69.03422	0.2
69.63718	0.7
69.64138	0.2
70.06580	100.0
71.06908	0.8
72.08142	5.7
72.08542	0.3
74.06062	0.2
77.51204	0.1
82.06557	0.2
84.04490	0.6
84.08125	1.6
85.02894	0.3
86.09686	1.1
87.05577	0.1
88.02514	0.1
88.03982	0.2
98.06035	22.0
99.06336	0.2
100.07619	0.2
102.05536	0.2
103.93659	0.2
110.07151	0.3
112.07620	0.2
115.08688	0.3
116.07095	0.5
119.04907	0.2
120.08125	0.2
124.11229	0.2
126.05495	18.7
127.05827	0.2
127.08655	5.4
129.10207	1.2
130.05051	0.2
131.04926	0.2
133.02806	0.1
136.07547	0.3
137.06046	0.3
137.07112	0.3
139.08632	0.4
139.12285	0.2
140.16957	0.1
145.06027	0.3
147.04427	0.4
149.10851	0.2
151.08684	0.1
151.12286	0.9
155.08124	5.8
157.09694	3.6
163.07109	1.9
164.07045	0.1
165.10236	0.4
167.08142	0.5
167.11772	6.0
169.13341	3.0
177.05504	0.1
177.10207	0.5
178.11090	0.2
179.11815	0.6
181.13347	1.2
183.07660	0.2
185.09174	3.6
186.09464	0.2
187.07541	0.2
193.12068	0.4
195.11259	8.6
197.12796	0.9
209.12770	0.8
213.12294	0.1
224.13792	0.6
226.15547	0.4
236.14091	0.1
242.11356	0.5
248.17595	0.3
252.13358	1.9
254.14944	2.3
260.12369	12.7
261.12698	0.3
264.13428	0.2
264.17075	0.3
266.18616	0.7
282.14474	1.3
283.14117	0.2
292.16498	0.3
292.19397	0.1
294.18124	0.5
323.20715	0.9
339.16599	0.7
349.18771	0.7
351.20221	4.6
357.17612	15.7
358.17987	0.4
361.18637	0.2
363.23923	0.4
420.26102	0.6
430.24759	0.3
436.22028	0.4
448.19336	0.1
448.25458	3.5
454.22885	11.9
455.23477	0.5
489.77267	0.2
533.27087	0.2
545.30817	1.2
551.28180	12.5
552.28406	0.5
648.33398	25.9
649.33276	1.2
705.35474	0.6
729.39069	0.6
786.40765	0.3
804.42334	13.0
805.42371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	0.6
57.03394	0.2
58.06563	0.5
61.27253	0.1
61.69656	0.1
65.03911	0.4
67.05490	2.0
68.04993	0.6
69.03392	0.5
69.07062	2.7
70.06583	10.3
70.35950	0.7
71.04956	0.4
72.08149	1.9
72.50691	0.1
74.06040	0.2
79.05476	2.2
80.04980	0.6
81.03374	0.3
81.05756	0.3
81.06590	0.2
81.07043	2.9
82.06568	1.0
83.04943	0.2
83.08566	0.6
84.04462	0.7
84.08130	1.5
85.02895	0.8
85.06509	0.2
86.09693	3.4
87.00809	0.2
91.05464	1.7
93.07033	2.4
94.06558	2.3
95.04929	0.5
95.07329	0.3
95.08064	0.2
95.08595	2.0
96.08118	3.7
97.02853	0.3
97.06482	0.4
97.10122	0.5
98.05957	0.2
98.09657	0.7
98.10260	0.1
98.21440	0.2
100.02122	0.1
100.07573	0.2
101.07099	0.1
102.05482	0.2
103.05463	0.2
105.07027	1.3
106.06536	0.2
107.07338	1.6
107.08570	1.6
108.08109	5.4
108.08858	0.3
109.02838	0.3
109.06488	0.4
109.08844	0.5
109.10141	0.7
110.03592	0.2
110.05991	0.2
110.07124	0.7
110.09666	1.6
111.04425	0.3
111.08030	0.2
112.07578	0.2
115.08646	0.2
117.07026	0.3
119.08569	1.2
120.07266	0.3
120.08091	5.1
121.06464	0.2
121.08868	0.3
121.10132	0.8
122.09658	2.8
123.08051	0.3
123.10419	0.3
123.11665	0.2
124.07539	0.3
124.11224	1.3
125.05948	0.4
125.09613	0.2
127.03864	0.4
129.06613	0.2
129.10231	0.5
130.04984	0.2
131.08521	0.6
132.08015	0.3
133.06432	0.3
133.10103	0.7
134.09628	0.8
135.08028	0.2
135.10298	0.2
135.11647	0.5
136.07567	0.6
136.11139	0.7
137.05922	0.6
137.09563	0.2
138.09117	0.4
138.12741	0.2
141.49005	0.2
143.08478	0.5
143.11749	0.6
145.04868	0.2
145.10109	0.8
146.05998	0.2
146.09593	0.3
147.07939	0.2
147.11618	0.4
148.11163	0.3
149.05966	0.2
149.09592	0.2
153.05438	0.3
155.08156	0.3
157.09727	0.9
159.11627	0.3
160.11166	0.3
161.09575	0.2
163.11111	0.4
165.09094	1.2
167.08171	1.3
170.11714	0.7
171.11308	0.4
172.03633	0.2
173.13071	0.2
174.12692	0.3
175.07494	0.2
175.14740	0.2
176.14273	0.5
177.05392	0.3
185.09215	1.3
185.13133	0.3
187.11053	0.2
189.12547	0.2
190.15785	0.5
192.13779	0.5
192.17487	1.4
201.12274	0.3
202.15817	1.3
210.14729	0.2
215.13893	0.3
216.10179	0.2
217.13402	0.3
218.15410	1.9
219.18518	0.7
220.16933	29.8
221.17258	0.8
222.14932	0.3
222.18503	3.2
230.16374	0.2
236.16415	2.0
237.16716	0.2
237.19592	0.5
238.17984	62.2
239.18333	1.8
240.19559	13.4
241.19885	0.5
245.12840	0.4
256.19064	3.6
258.20532	0.3
262.18030	0.4
263.16412	0.2
280.16470	0.8
296.64041	0.2
298.17554	0.6
314.14944	0.3
315.33612	0.2
318.18152	0.3
325.18814	0.4
332.16238	0.2
369.25116	0.2
397.24600	0.3
407.29083	0.2
450.26993	0.2
457.34552	0.5
475.35254	100.0
476.35580	7.3
477.36481	0.3
478.36853	0.2
486.29156	1.2
499.35355	1.0
500.33649	0.2
517.36322	3.4
518.36902	0.2
535.37848	0.2
567.34650	0.2
597.33728	0.9
615.34607	0.6
633.37170	1.9
651.38141	1.0
669.40558	0.4
696.41125	0.2
714.42108	0.2
803.43066	8.4
804.43286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53952	0.4
57.03432	2.8
61.02918	8.8
62.30671	0.4
67.05495	7.9
69.03416	5.9
69.07063	2.0
71.01337	1.0
71.04981	1.0
71.39002	0.9
73.02907	7.3
79.05484	5.9
81.00280	0.4
81.03412	3.1
81.07045	10.1
83.08602	1.2
85.02892	9.3
87.04453	0.8
91.03951	6.0
91.05475	3.1
93.07029	7.5
95.04953	0.8
95.08601	7.2
97.02881	8.4
97.06537	0.5
97.10169	0.7
99.04435	1.9
101.02365	3.0
103.03941	0.7
105.07000	2.0
107.08582	3.6
109.02890	1.2
109.10151	3.3
115.03973	0.5
117.07010	0.9
119.08588	2.1
121.10120	3.1
123.11707	0.5
127.03922	3.2
131.08582	1.4
133.10159	1.2
135.11710	1.4
145.05061	0.3
145.10156	0.9
147.11650	0.7
149.13266	1.1
159.11731	0.7
161.13283	0.8
163.14749	0.4
173.13336	0.6
185.04262	1.1
203.05319	0.6
243.08379	3.0
292.06168	0.4
335.25879	1.3
409.13727	0.4
427.06088	0.5
461.35727	0.5
519.29218	14.8
656.82495	0.4
752.59570	0.5
797.51630	100.0
798.51868	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	794.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03159	1.2
57.03426	16.1
57.07063	7.4
61.02916	5.0
65.03927	3.9
67.05493	88.7
68.05825	1.3
68.17989	0.7
69.03408	1.3
69.07059	36.1
70.71718	0.8
71.04967	3.3
71.08612	2.0
73.02898	1.8
73.03268	0.7
79.05011	1.7
79.05481	41.7
81.07042	89.2
83.04942	2.1
83.08146	1.4
83.08599	17.2
85.02887	4.7
85.06516	2.1
85.10158	1.8
87.04443	3.4
91.03938	2.0
91.04895	1.4
91.05462	23.3
93.07028	51.1
95.04958	4.4
95.08591	73.1
96.08942	1.2
97.02866	2.4
97.06503	4.6
97.10153	9.4
98.21513	2.5
99.08073	2.5
105.07011	18.1
107.07875	1.5
107.08578	28.8
109.06516	2.6
109.10136	32.3
110.10471	0.9
111.08044	2.2
111.11692	2.8
113.09652	0.9
117.07018	5.7
119.08564	17.1
121.10122	23.5
123.08022	1.9
123.11674	12.6
125.09631	1.2
127.11111	0.9
129.06943	1.0
131.08556	11.5
133.08595	1.0
133.10115	14.6
135.11679	16.6
137.09612	1.0
137.13220	5.9
139.11105	1.2
143.08476	1.8
145.10095	7.8
147.11656	11.7
149.13239	10.7
151.14790	2.5
153.12694	1.5
157.10081	1.8
159.11665	6.6
161.13263	9.1
163.11290	1.1
163.14813	7.8
165.12680	1.1
165.16376	0.9
171.11574	1.8
173.13222	7.1
175.14740	4.2
177.16370	2.7
179.14201	0.9
187.14786	2.9
189.16354	1.5
193.15837	1.0
199.14902	1.4
201.16379	1.2
203.17859	1.2
217.19432	1.6
219.21082	1.1
229.83920	1.1
231.20999	0.9
233.22673	1.3
241.19472	2.2
242.44485	0.8
243.21042	8.0
245.22543	3.0
259.20499	6.4
261.22107	24.4
263.23697	4.7
277.21710	1.1
279.23141	1.2
301.25317	0.9
315.23184	1.2
317.24792	4.4
319.25919	1.2
323.25400	1.0
333.24097	4.8
335.25742	84.1
336.26105	2.5
337.27307	100.0
338.27579	2.0
339.28903	7.7
431.35602	0.7
505.44412	1.0
517.38617	1.4
523.45068	3.3
541.46204	1.7
545.42334	0.9
597.48651	38.2
598.49304	1.7
615.49744	37.0
616.50146	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	792.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05504	15.0
57.03432	11.2
57.07069	2.2
58.94805	0.4
61.02908	2.8
65.03929	2.6
67.05495	67.7
68.05828	0.6
69.03412	1.4
69.07056	17.4
71.04969	2.1
71.08620	1.0
71.32590	1.1
73.02905	1.1
77.03909	0.6
78.49444	0.4
79.05482	42.6
80.05851	0.5
81.03410	0.6
81.07044	63.7
82.07381	0.5
83.04991	2.1
83.08610	8.1
85.02898	3.4
85.06538	1.6
89.24464	0.4
91.03950	1.3
91.04887	0.8
91.05469	25.2
93.07030	52.1
95.04953	3.6
95.08594	51.5
96.08942	0.9
97.02882	1.6
97.06503	3.5
97.10158	3.7
99.08083	1.6
103.05463	0.6
105.04539	0.6
105.07016	21.0
107.08580	25.8
109.06510	1.8
109.10141	23.8
111.08053	1.7
111.11699	0.9
115.05495	0.6
117.06999	6.5
119.08565	15.4
121.06496	0.8
121.10125	23.8
122.10458	0.5
123.08064	1.5
123.11694	8.9
125.09595	0.8
129.06998	2.0
131.08548	14.2
133.10109	14.2
135.07996	0.4
135.11670	15.4
137.09596	1.4
137.13210	2.8
139.11151	1.1
141.06927	0.4
143.08553	1.8
145.10100	10.0
147.11671	10.0
149.09529	0.7
149.13243	9.8
151.11157	0.9
151.14832	1.0
155.08577	0.7
157.10132	1.7
159.11671	9.1
161.13232	8.2
163.14804	4.5
169.10081	0.8
171.11624	2.5
173.13240	8.2
175.14828	3.2
177.16362	1.8
183.11670	0.5
185.13246	2.1
187.14792	3.8
189.12674	0.5
189.16391	1.4
191.14304	0.7
199.13161	0.4
199.14822	1.8
201.16365	1.5
205.15953	0.6
211.14720	0.5
213.16394	1.4
215.17964	1.1
217.15804	0.5
217.19472	0.5
219.17398	0.8
229.19493	0.7
231.21095	1.2
233.19142	0.5
241.19591	2.7
243.21013	5.5
245.22780	0.6
247.20514	0.5
257.19196	0.5
259.20529	7.1
261.22110	18.7
261.24863	1.0
262.22177	0.6
263.23660	2.5
263.26245	0.5
271.20367	0.4
273.21945	0.6
279.23138	0.6
287.23721	0.6
299.23581	0.9
315.23322	0.5
315.26709	0.6
317.24759	3.3
333.24173	6.7
335.25751	100.0
336.26044	4.0
337.27319	9.1
338.27499	0.8
351.25375	0.5
356.35187	0.5
503.36682	0.8
517.38727	0.7
521.43658	2.0
539.44427	1.0
543.40137	0.8
557.44336	0.4
595.47107	14.3
596.47009	1.7
613.48230	13.8
614.48151	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
55.05503	17.3
57.03421	2.8
57.07064	13.4
59.04992	4.3
61.02904	0.9
67.05497	7.0
68.99782	0.9
69.03418	6.1
69.07055	100.0
70.06577	7.1
71.04990	4.1
71.08620	0.5
71.66096	0.9
72.08140	1.4
73.02886	1.2
73.06538	2.0
79.05471	1.7
81.03408	6.5
81.07041	9.2
83.04961	0.6
83.08603	45.0
84.04461	1.3
84.08118	2.2
84.08939	0.5
85.02888	17.6
85.06531	1.7
86.09700	4.0
87.00809	6.3
87.04456	9.2
88.03938	0.5
89.06013	83.7
90.06364	0.6
91.05448	1.6
91.07555	0.7
93.07056	2.6
95.04939	1.1
95.08582	10.0
95.76466	0.5
97.02865	4.7
97.06484	0.7
97.10153	3.1
99.04442	3.3
99.08073	3.3
101.02370	0.5
102.05518	0.5
103.03940	0.7
103.07550	1.6
105.01846	3.8
105.07023	2.1
107.07044	3.5
107.08570	1.7
109.02859	6.1
109.06483	0.6
109.10131	6.6
110.07140	0.6
111.04422	0.8
113.09616	0.9
117.01825	0.7
117.09117	1.8
117.77989	0.5
119.08538	1.8
120.08070	2.9
121.06445	0.7
121.08463	0.6
121.10098	1.5
123.07984	0.5
123.11704	3.0
125.13245	9.9
127.03896	8.9
127.11258	0.5
129.01772	0.9
129.10202	1.2
130.08611	2.3
131.03354	0.8
131.07018	4.2
133.08577	66.6
134.08908	0.8
135.08031	0.9
135.11687	0.8
136.07504	0.8
137.05991	0.6
137.13214	0.9
138.09190	0.5
139.11212	0.7
139.14723	0.6
141.12727	0.9
143.14267	1.8
145.04913	2.5
145.10135	1.0
147.11652	1.1
147.98157	0.5
149.13164	0.8
151.14742	0.7
153.12617	0.6
155.14246	1.0
159.02872	2.3
159.11627	0.8
161.13184	0.5
163.11070	0.7
165.09067	1.1
165.16336	1.3
167.07059	0.9
169.15926	0.6
173.13078	0.8
175.09651	2.7
175.14806	0.5
177.11188	29.4
179.12880	0.6
183.17387	3.4
187.14751	0.6
189.16327	0.6
191.12654	0.5
195.12247	0.7
207.83255	0.5
213.03850	0.7
219.12155	1.2
220.16910	0.6
221.13789	13.2
222.18419	0.5
223.15231	0.5
227.19989	3.6
231.04907	1.4
238.17931	1.4
239.14825	4.3
240.19476	1.1
249.05696	0.6
261.22073	1.3
265.16360	1.7
268.08417	0.5
271.10516	0.5
271.22495	1.9
281.19583	1.1
283.17429	5.7
285.12085	0.6
309.19006	4.5
315.25272	0.5
327.20068	47.7
328.20114	0.6
367.19000	0.9
367.23199	9.7
371.22690	5.2
385.24344	6.5
429.29428	0.6
455.31042	1.4
465.33844	0.6
473.32791	3.1
491.33536	1.2
509.36789	61.4
510.37088	3.6
527.30286	0.7
527.37750	10.7
792.43939	1.7
792.58215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
56.04991	0.6
57.03413	0.3
58.06598	1.5
60.23969	0.2
64.39288	0.2
65.03920	0.4
67.05493	2.9
68.04987	0.4
69.03367	0.6
69.07053	2.7
70.06583	10.7
70.32628	0.9
71.04951	0.6
71.06886	0.4
72.08147	1.2
74.06033	0.3
74.46967	0.2
79.05078	0.2
79.05482	2.4
80.04967	0.5
81.03368	0.4
81.07041	4.6
82.06574	1.3
83.04948	0.3
83.08610	0.9
84.04498	1.1
84.08142	1.6
85.02846	0.6
85.06467	0.6
86.09695	2.1
87.05529	0.2
89.06007	0.2
91.05466	1.8
93.06499	0.2
93.07026	2.5
94.06052	0.2
94.06555	2.0
95.04923	0.6
95.07303	0.3
95.08595	4.5
96.07588	0.2
96.08113	3.1
97.02849	0.3
97.06488	0.3
97.10104	0.6
98.06010	0.2
98.09682	1.1
99.08058	0.2
102.05482	0.3
103.05408	0.2
105.01820	0.2
105.07018	1.8
106.06474	0.3
107.04893	0.4
107.07267	0.6
107.08579	1.8
108.07441	0.2
108.08102	3.5
109.02798	0.2
109.06450	0.6
109.08847	0.4
109.10131	1.1
110.07094	0.6
110.09674	1.2
111.04378	0.6
111.08041	0.2
112.08651	0.2
112.11165	0.2
117.06984	0.3
119.08549	1.1
120.08092	1.9
121.06471	0.3
121.10114	1.2
122.09647	2.2
123.04393	0.3
123.08024	0.3
123.10426	0.3
123.11657	0.5
124.11184	0.9
125.09593	0.2
127.03846	0.3
127.22620	0.2
129.06920	0.2
129.10162	0.5
130.04930	0.3
131.08545	0.8
132.08032	0.2
132.58275	0.2
133.06448	0.2
133.08492	0.2
133.10077	0.5
134.09612	0.5
135.08028	0.4
135.11641	0.4
136.07542	0.9
136.11122	0.4
137.05872	0.5
137.06844	0.2
137.09583	0.2
139.03889	0.3
140.10709	0.2
143.08508	0.5
145.06346	0.2
145.10110	0.9
147.07912	0.2
147.11617	0.4
148.11180	0.3
149.05917	0.3
149.09608	0.2
149.13257	0.3
151.07509	0.2
155.14343	0.2
157.10068	0.5
159.09132	0.2
159.11613	0.3
161.09564	0.2
161.13326	0.3
163.11166	0.3
170.11711	0.5
174.12817	0.3
183.14937	0.2
185.13132	0.2
187.10831	1.0
187.14841	0.2
190.15834	0.4
192.13762	0.3
192.17410	1.0
194.15408	0.2
194.19061	0.4
202.15874	1.2
212.16344	0.3
215.14066	0.2
218.15359	1.0
220.16928	20.9
221.17288	0.5
221.20003	0.6
222.18498	13.8
223.18797	0.4
236.16342	0.7
238.17981	50.0
239.18405	1.8
239.20981	0.3
240.19547	47.7
241.19835	1.1
244.79121	0.2
256.19098	2.0
258.20648	0.7
262.18076	0.4
263.16388	0.3
421.44269	0.2
459.35678	0.5
477.36807	100.0
478.37079	3.5
501.37149	0.8
519.37903	3.8
520.38562	0.2
537.39709	0.2
594.21039	0.2
609.73090	0.2
635.39056	1.4
653.40643	0.4
657.40912	1.0
659.33710	0.2
773.41345	0.5
791.43158	14.3
792.43298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
56.61369	0.8
57.07068	100.0
58.07413	0.8
58.81935	0.8
59.04992	21.3
66.59763	0.9
66.73904	0.8
67.05496	1.5
69.07044	2.0
70.03297	3.3
70.03714	2.5
71.08623	68.0
73.02924	0.8
73.06544	2.6
77.55565	0.8
79.05482	1.5
81.07049	1.9
83.08597	2.8
85.10171	56.4
87.04457	12.2
89.06020	69.8
90.01926	0.8
93.07025	1.3
97.10184	2.3
98.20780	1.2
99.11726	11.8
101.09612	1.2
105.06996	1.0
107.07051	2.8
107.08537	1.0
113.13286	2.8
117.09102	4.1
130.08618	4.3
131.07051	4.8
133.08585	51.5
155.17926	8.4
161.11815	1.4
175.09625	4.3
177.11192	25.7
213.22089	13.4
221.13904	5.0
239.14877	2.6
240.19536	2.4
254.24872	1.7
265.16672	1.4
271.26285	7.6
283.17496	2.6
305.37286	0.9
309.19098	1.4
325.41034	1.0
327.20206	1.9
353.21451	1.1
371.22839	1.4
372.93298	1.1
415.25357	1.0
459.27814	1.7
503.30573	11.3
530.88470	0.9
543.33447	1.5
773.55554	1.0
790.58972	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	790.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.2
55.05501	44.3
56.05827	0.7
57.03424	3.1
57.06791	1.2
57.07064	19.9
59.04988	25.1
59.05292	1.4
61.02892	1.3
61.04085	0.7
67.05494	5.5
68.99784	0.9
69.03413	12.7
69.07053	44.4
69.30865	0.7
70.06567	5.5
70.07397	0.8
70.96877	0.7
71.00494	0.7
71.04986	3.6
71.08618	8.7
72.08143	1.4
73.02879	1.5
79.05480	1.6
81.03402	14.8
81.07039	18.9
83.04964	3.4
83.08602	100.0
84.04463	1.0
84.08111	1.5
84.08923	1.0
85.02887	21.3
85.06507	1.7
85.10177	1.0
86.09693	4.5
87.00807	7.5
87.04453	3.0
89.06012	36.4
91.05463	2.3
93.07034	2.5
95.04943	2.7
95.08588	13.8
97.02859	9.8
97.06528	1.7
97.10150	52.9
98.20776	1.2
99.04443	4.3
99.08092	2.4
101.06036	1.4
101.09623	2.0
103.03951	0.9
103.07559	2.9
105.01839	7.4
105.07012	1.7
105.70587	0.8
107.07079	1.1
107.08562	2.3
109.02866	10.5
109.06535	1.5
109.10129	10.3
111.04426	2.9
111.08079	0.8
111.11680	7.7
113.09706	0.8
117.09105	7.3
119.08537	1.4
120.08073	2.7
121.06473	1.2
121.10110	2.4
123.11683	7.3
125.05911	1.5
125.13247	2.3
127.03894	16.8
127.11179	0.9
129.01802	1.7
129.10313	0.9
131.06973	1.5
131.08551	0.8
133.08575	23.8
133.10110	1.5
135.10156	2.6
135.11679	1.1
137.06018	2.3
137.13226	5.8
139.14775	3.9
141.12650	0.7
143.14287	0.8
145.04897	4.0
145.10086	1.2
147.10153	3.5
147.11674	1.1
149.13196	0.9
151.07608	1.0
151.09647	1.9
151.14833	1.1
153.16368	1.7
155.14243	1.5
157.15898	2.4
157.69249	0.8
159.02878	3.5
159.11671	1.2
161.09604	0.8
167.06990	1.9
173.13229	1.0
175.09686	1.2
177.11192	13.1
179.17892	3.6
185.08064	1.2
185.16495	0.9
189.03943	1.1
191.12764	3.5
193.15990	0.7
193.19525	1.6
195.12224	8.7
197.19019	3.4
201.18558	1.5
211.20525	2.0
213.03909	1.7
215.19991	11.4
215.21999	0.8
221.13843	4.1
229.21556	7.9
231.04941	4.2
235.15359	5.0
239.14833	10.2
249.06059	1.2
253.16368	8.4
255.23160	7.3
259.22708	2.6
269.24747	3.4
271.08017	0.9
273.24191	13.9
279.17978	2.5
287.25784	0.9
289.09109	4.9
293.19611	3.1
297.19009	8.2
311.20483	6.0
313.27557	1.4
317.26956	1.7
337.22165	1.8
351.23782	1.8
355.23242	1.3
369.24835	1.7
429.29422	1.0
443.50931	0.8
466.82547	0.7
471.30975	3.0
489.31934	3.2
507.38907	25.4
508.39575	1.0
525.39996	16.9
526.39954	1.2
603.42670	0.8
651.09613	0.7
742.83295	0.7
790.46802	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	789.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
55.05500	2.4
56.05010	0.7
57.03417	0.5
60.04516	2.1
61.01124	0.3
63.41023	0.3
65.03927	0.2
65.18278	0.3
67.05489	1.7
68.05006	0.7
69.03415	0.8
69.07053	4.1
70.02944	0.3
70.06579	100.0
70.14170	1.5
71.04974	0.9
71.06913	1.0
72.08142	29.2
73.08468	0.4
79.05486	1.2
80.05013	0.5
81.03416	0.7
81.07043	2.0
82.06580	0.5
83.04948	0.4
83.08631	0.3
84.04483	2.0
84.08132	2.6
85.02883	2.2
85.06514	0.3
86.06091	0.2
86.09691	44.0
87.00830	0.4
87.05585	0.6
87.10018	0.8
88.03979	0.8
91.05463	1.9
93.07032	2.4
94.06541	1.2
95.04974	0.6
95.08600	1.7
96.08105	1.8
97.02895	0.7
97.06530	0.3
97.10156	0.4
98.02396	0.7
98.06039	1.3
98.09666	0.6
99.04435	0.3
99.05611	0.3
100.07631	0.3
101.07089	0.5
102.05550	0.5
103.05450	3.3
105.07060	1.5
107.04934	0.5
107.07320	0.5
107.08580	1.2
107.54545	0.3
108.08093	1.8
109.02880	0.3
109.06481	0.4
109.07581	0.3
109.08911	0.3
109.10118	0.7
110.07153	1.3
110.09684	1.3
111.04482	0.3
111.07988	0.3
112.07587	0.6
112.11228	0.9
113.07078	0.6
114.09097	0.4
115.08675	1.0
116.03403	0.3
116.07089	0.9
117.06979	0.4
119.08562	0.8
120.08083	74.0
121.08407	1.7
121.10124	0.5
122.09633	1.2
123.04383	0.4
123.11672	0.4
124.11271	0.7
125.07153	0.3
126.05505	0.4
127.03915	0.5
127.12285	0.3
129.05452	0.3
129.10226	1.3
130.04997	0.4
130.06477	0.3
131.04895	0.4
131.08519	0.4
132.08047	0.6
133.10094	0.7
134.09583	0.4
135.07930	0.3
135.11653	0.4
136.07552	1.0
136.11185	0.3
137.05940	0.7
137.06950	0.3
138.05470	0.3
138.09117	0.6
139.08647	2.7
140.07031	0.9
141.10196	1.0
143.08549	0.4
143.11768	16.8
144.08022	0.4
145.10101	0.7
146.02676	0.5
146.09605	0.9
147.07607	0.3
147.11667	0.3
149.05959	0.3
149.07066	0.3
153.05440	0.4
155.08102	0.6
155.11792	0.7
157.09698	18.5
159.09119	0.5
159.11801	0.4
161.09558	0.3
161.13240	0.4
161.52531	0.3
163.11090	0.4
165.24977	0.3
167.08136	30.6
168.08521	0.4
169.09723	1.7
171.11261	8.7
172.11302	0.4
173.12828	6.5
174.12779	1.5
175.10745	3.9
183.11288	1.0
183.14917	0.4
184.10861	0.5
185.09189	26.3
185.16449	3.9
186.09610	0.5
188.14278	0.3
192.17455	0.5
197.12923	0.4
197.16530	0.4
201.12317	3.0
201.13940	0.5
202.11937	0.9
211.17952	1.3
213.15985	1.8
217.13342	4.1
218.15417	0.6
219.14757	0.7
220.16942	10.0
221.17262	0.5
222.18506	1.2
225.10252	0.3
226.11610	0.3
227.11765	0.4
229.13399	1.4
236.16440	0.8
238.11766	0.5
238.17969	20.7
239.18025	1.3
240.17250	0.2
240.19547	5.1
241.19968	0.3
245.09097	0.4
245.10313	0.4
245.12813	4.2
245.16580	0.4
247.10551	0.3
247.14275	0.5
252.17024	1.9
254.15038	0.5
256.13000	0.5
256.18985	1.1
257.12878	0.4
263.10165	0.8
267.11108	0.3
268.16553	0.6
270.18121	3.6
270.41214	0.3
271.14526	0.3
271.18054	0.6
272.17877	0.5
273.15903	1.9
280.16519	14.4
282.18130	0.5
287.05426	2.2
288.19177	1.0
298.17542	12.0
299.17627	0.5
300.16995	1.1
307.26413	0.5
308.26627	0.8
314.14896	6.5
318.18057	3.7
319.08133	0.3
325.27145	0.5
326.27524	0.4
332.16010	2.8
333.18442	0.4
337.18930	0.3
341.21860	0.4
351.20099	1.0
353.21884	0.9
368.19781	0.3
369.21106	0.7
369.25043	2.1
370.24643	0.3
372.19113	0.8
379.23227	0.8
386.24548	0.7
387.23798	0.6
397.24393	8.8
398.24670	0.5
399.23944	0.5
413.21609	0.5
415.23395	1.7
417.24817	1.8
421.08569	0.3
427.23334	2.3
445.24545	1.7
450.26935	2.3
452.28406	0.4
454.26477	0.7
468.28317	1.8
472.27609	36.7
473.28070	1.5
475.35239	28.1
476.35678	2.5
477.36819	1.2
481.11124	1.1
484.25443	2.4
491.34875	1.0
498.27478	0.3
499.28738	0.4
500.28583	0.8
502.26563	2.4
503.16391	0.8
516.32056	0.5
517.35699	0.3
526.29767	0.3
544.31281	2.2
549.33832	0.9
552.30664	0.4
567.35114	2.4
569.34332	1.9
570.32953	0.5
587.35321	3.1
597.33856	13.7
598.33936	0.8
601.33508	0.4
615.25110	0.5
615.34955	9.8
616.34723	0.9
619.34399	10.4
620.34363	0.5
655.39008	0.4
668.40527	0.3
686.42639	1.8
696.40588	2.9
714.41595	6.7
715.41492	0.5
750.80768	0.3
771.42426	0.4
789.43433	4.1
790.41571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93769	0.2
56.97965	0.2
60.91183	0.3
66.53034	0.2
67.05506	0.7
68.05019	0.9
69.03418	7.3
71.70441	0.2
71.70808	0.2
79.05479	0.4
81.07035	0.7
82.51333	0.2
83.08591	0.3
85.02869	0.3
86.06052	19.5
86.09669	0.3
87.04451	54.7
91.05534	0.2
93.07059	0.5
95.08617	0.4
104.07085	100.0
105.05399	0.3
105.07472	0.4
107.08591	0.5
109.10101	0.4
119.08618	0.3
121.10112	0.4
123.11678	0.3
127.03835	0.3
127.96229	0.3
128.07028	0.4
135.11668	0.3
163.05998	0.5
163.14665	0.3
242.89432	0.3
243.21031	0.5
261.22034	1.3
262.78864	0.3
335.25644	0.3
353.26627	1.5
399.88867	0.2
474.38538	0.2
489.88831	0.3
810.31116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.1
55.05259	0.2
55.05502	2.0
56.05012	0.7
57.03419	0.2
57.05812	0.1
58.06593	0.7
60.04512	0.6
65.03934	0.2
67.05494	2.0
68.05012	0.7
69.03420	0.4
69.06670	0.2
69.07055	3.1
69.35927	0.8
69.36349	0.3
70.06578	27.4
70.16546	0.1
71.04981	0.6
71.06919	0.2
72.08141	7.5
73.06506	0.1
77.03912	0.2
79.05480	2.4
80.04980	0.6
81.03398	0.3
81.05756	0.2
81.07040	2.8
82.06563	1.1
82.07385	0.1
82.40414	0.1
83.04964	0.4
83.06079	0.1
83.08603	0.4
84.04488	1.2
84.08122	1.5
85.02897	0.7
85.06519	0.3
86.05995	0.1
86.09689	11.0
87.00830	0.1
87.05586	0.3
87.10010	0.2
88.03967	0.1
90.35908	0.1
91.05464	1.7
93.05778	0.3
93.07027	2.6
94.06547	2.7
94.07115	0.2
95.04943	0.5
95.07338	0.3
95.08586	2.0
96.04411	0.1
96.08112	4.1
97.02879	0.1
97.06503	0.3
97.10152	0.6
98.06049	0.3
98.09665	0.7
98.20787	0.2
100.02198	0.3
100.07585	0.2
100.11220	0.1
101.07121	0.1
102.05538	0.3
103.05440	0.7
104.05334	0.2
105.07014	1.7
106.06556	0.2
107.04940	0.2
107.07321	1.4
107.08561	1.6
108.08099	6.1
109.06510	0.4
109.07688	0.2
109.08887	0.4
109.10145	0.7
110.05984	0.1
110.07161	0.7
110.09672	1.7
111.04399	0.3
111.08089	0.2
112.07600	0.2
112.11226	0.3
115.08657	0.3
116.07057	0.3
117.07005	0.4
119.08560	1.0
120.08080	18.9
121.06432	0.2
121.10125	0.7
122.05968	0.2
122.09647	3.0
122.10497	0.2
123.04466	0.2
123.08080	0.2
123.10428	0.5
123.11665	0.2
124.07584	0.2
124.11210	1.2
125.07158	0.1
126.05504	0.1
127.03902	0.3
128.10654	0.1
129.06981	0.2
129.10196	0.7
130.04979	0.2
130.06485	0.2
131.08546	0.6
132.08075	0.3
133.06479	0.2
133.10068	0.5
134.09608	0.7
135.07986	0.1
135.10419	0.3
135.11659	0.4
136.07593	0.6
136.11189	0.6
137.05975	0.3
138.05511	0.1
138.09120	0.3
139.03905	0.2
139.08629	0.5
140.07043	0.1
141.10196	0.3
143.08536	0.5
143.11769	3.8
145.09068	0.1
145.10097	0.8
146.02644	0.2
146.09601	0.3
147.04395	0.2
147.11670	0.3
148.11156	0.3
149.13249	0.2
150.12766	0.1
152.10709	0.2
155.08209	0.2
155.11778	0.3
157.09692	4.3
159.09140	0.2
159.11598	0.3
160.11160	0.3
161.06001	0.2
161.09546	0.2
161.13194	0.2
163.11177	0.5
165.10327	0.1
166.08714	0.1
167.08131	7.3
169.09764	0.4
170.11732	0.6
171.11270	1.8
172.11147	0.2
173.12854	1.6
174.12695	0.6
175.10732	0.8
175.14758	0.1
176.14357	0.4
178.12274	0.2
183.07768	0.1
183.11357	0.2
183.14883	0.2
184.10817	0.3
185.09186	6.4
185.13141	0.4
185.16441	0.8
188.14264	0.2
190.15804	0.6
192.13805	0.3
192.17445	1.3
197.16522	0.2
199.14778	0.1
200.14072	0.2
201.12323	0.9
202.11952	0.2
202.15869	1.5
210.14821	0.2
211.17999	0.3
212.10283	0.5
212.16460	0.2
213.15987	0.5
217.13353	0.9
218.15338	2.3
218.17220	0.2
219.18600	0.5
220.16919	30.0
221.17256	0.8
222.15097	0.1
222.18488	3.5
229.13359	0.2
233.19958	0.1
236.16403	1.9
237.19621	0.3
238.17966	61.2
239.18350	2.3
240.19540	13.0
241.19820	0.6
245.12930	1.0
245.15294	0.2
247.14301	0.1
252.17033	0.6
254.15016	0.2
256.19028	3.3
257.12817	0.2
258.20688	0.2
262.17984	0.2
263.10248	0.1
268.16605	0.2
270.18088	0.8
273.15912	0.4
280.16513	3.0
280.19467	0.2
287.05554	0.4
288.19296	0.2
290.21234	0.2
295.26010	0.1
298.17532	2.4
298.20486	0.2
300.16962	0.2
308.26785	0.1
314.14902	1.4
318.18045	0.8
326.27655	0.1
332.16104	0.7
348.94748	0.1
351.20169	0.2
369.25073	0.6
386.24265	0.1
397.24438	2.0
415.23413	0.4
417.24823	0.3
427.23294	0.6
431.26740	0.2
445.24356	0.3
450.27011	0.5
454.26547	0.2
457.34134	0.5
468.28146	0.6
472.27612	8.2
473.27899	0.3
475.35214	100.0
476.35550	5.9
477.36951	0.3
481.11005	0.3
484.25333	0.5
491.34869	0.6
499.35114	0.5
500.28149	0.2
502.26697	0.4
503.16614	0.2
517.36340	2.0
526.30157	0.1
535.37659	0.3
544.30994	0.7
549.33356	0.2
567.35168	0.7
569.34039	0.4
587.35144	0.8
597.24933	0.2
597.33887	3.3
598.34180	0.2
599.34955	0.2
601.33203	0.1
615.34979	2.5
616.34656	0.2
619.25073	0.2
619.34442	2.4
633.37360	0.9
640.34644	0.1
651.38458	0.6
655.39160	0.7
686.42255	0.4
696.41022	0.7
714.41510	1.4
771.41095	0.2
789.41626	9.4
789.89386	0.2
790.42682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.6
56.05026	1.4
57.03408	1.2
67.05482	3.3
69.03425	2.6
69.07041	4.4
70.03586	2.4
70.03999	2.7
70.06577	15.2
71.04977	1.6
72.08137	3.4
73.02905	0.8
79.05466	2.6
81.03414	1.8
81.07049	4.9
82.07406	1.0
83.04949	1.2
84.04472	3.0
84.08117	3.8
85.02895	4.5
86.09715	7.1
89.02370	0.9
89.06020	5.0
91.05442	2.5
93.07021	2.4
94.06538	3.7
95.04945	1.2
95.07330	1.8
95.08581	3.7
96.08102	3.0
97.02871	2.8
97.10143	0.9
98.06011	1.2
99.04414	1.7
103.13040	0.9
105.07018	2.8
106.06539	1.8
107.04952	1.0
107.07340	1.4
107.08582	2.6
108.08105	6.2
108.78283	0.8
109.02853	1.4
109.06454	1.1
109.08914	0.9
109.10139	1.6
110.07140	2.0
110.09653	2.9
119.08591	1.4
120.04407	1.1
120.08096	12.1
121.06464	1.1
121.08840	1.2
121.10130	2.2
122.06015	2.5
122.09664	11.1
124.07605	1.7
125.06026	1.1
127.03898	3.4
129.10210	2.2
132.08093	1.4
133.08578	3.3
134.05991	4.3
134.09633	4.3
135.11653	1.7
136.07549	15.9
137.05946	1.5
137.08267	1.2
138.09117	17.6
144.04453	1.4
144.08003	1.9
146.05978	5.5
146.09612	2.2
147.11693	1.7
148.07530	7.0
149.09544	1.0
150.09142	5.8
152.07039	11.5
152.10669	3.8
154.76457	1.0
158.09604	1.2
159.09196	1.2
160.03978	1.0
160.07542	1.3
161.05739	0.9
161.09534	1.4
162.05460	2.0
162.09097	2.0
163.06152	1.1
163.11182	1.0
164.07048	14.3
164.10667	1.9
165.08957	1.1
166.08612	7.3
167.07095	1.3
167.53816	0.9
172.03900	6.6
172.07480	1.6
174.05536	1.6
174.09113	1.7
176.07043	3.0
177.11276	1.5
178.04950	1.5
178.08615	11.0
178.46268	0.9
180.10182	9.1
188.10703	1.1
190.05005	3.5
190.08641	1.2
192.10081	1.1
193.08467	1.2
204.06512	10.0
206.08159	1.3
208.09676	2.0
210.11473	8.3
211.12303	1.7
218.08112	1.8
220.17010	1.9
221.10681	1.2
222.11440	3.5
222.18478	1.3
223.12169	1.9
224.12909	1.1
225.10159	3.3
225.13832	1.8
226.10815	1.1
227.11824	2.0
234.11319	3.4
235.12263	2.9
236.12857	2.9
237.10135	6.7
237.13828	2.9
238.10925	4.5
238.18022	4.6
239.11848	4.8
239.18678	1.3
240.12407	1.0
240.19481	2.7
241.09616	2.1
246.11467	1.1
247.12222	1.1
248.09354	4.8
249.10153	5.9
250.10889	9.4
251.11757	9.6
252.12523	2.7
253.09633	1.2
253.13379	5.7
254.13737	1.9
255.11221	2.6
257.12897	1.1
262.10977	2.3
263.11774	28.0
264.09644	1.2
264.12430	7.8
265.09723	5.8
265.13303	14.9
266.10550	2.1
266.13843	1.6
267.11142	6.4
268.11874	3.2
269.12756	9.0
270.13388	1.4
271.10913	1.3
271.14322	2.2
272.14853	1.6
277.09766	2.2
277.13077	1.1
278.10455	4.7
279.11224	26.5
280.11810	3.8
281.09766	1.2
281.12811	6.3
282.13330	9.0
283.10941	1.2
284.11514	2.2
285.12299	3.7
286.12726	1.5
291.11197	7.0
292.11823	2.1
293.09180	2.3
293.12820	6.8
294.13126	1.1
295.10684	5.0
295.13898	1.1
296.11530	9.0
297.12302	27.5
298.12927	3.8
299.14050	1.5
300.14362	59.1
301.14783	2.4
309.12268	61.5
310.13031	14.0
311.10306	1.9
311.13718	4.5
312.14413	1.1
313.11838	1.7
319.10736	3.4
321.12225	4.0
323.10284	1.4
323.13956	1.3
325.11688	3.3
327.13431	1.2
337.11758	22.8
337.15573	0.9
338.12515	9.8
339.13354	11.2
340.14169	1.2
341.14941	2.9
342.15735	1.0
347.71042	1.0
351.13297	2.0
355.12646	1.4
357.14172	1.5
369.14380	100.0
370.14944	10.4
371.15985	23.5
372.16458	1.2
372.20374	1.2
373.13867	1.3
392.19507	1.1
400.16336	1.3
416.19550	3.8
432.19193	2.0
433.19604	1.5
442.17657	3.1
443.28168	1.4
446.20685	2.8
448.18472	6.2
458.21417	1.0
459.17596	2.1
460.18585	47.5
461.18661	3.0
461.28812	2.0
473.19366	1.6
475.35260	1.6
478.19556	2.0
480.21246	7.4
491.20258	2.8
492.21213	54.4
493.21588	4.0
495.35187	2.0
496.35339	2.9
524.02563	1.2
560.24799	1.3
565.23730	1.0
573.26630	1.3
583.25012	1.4
585.26575	3.9
597.26160	1.1
622.23450	1.4
624.24915	2.6
627.27826	1.8
634.77429	1.0
656.27777	3.5
657.28467	1.3
659.30420	1.1
693.29431	1.1
711.29352	4.2
729.30573	4.2
743.33154	5.4
744.32562	1.5
747.32605	7.5
761.34119	9.9
762.34100	1.5
779.34564	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	778.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.8
55.05504	22.7
55.72768	1.7
56.05017	2.3
57.03426	19.2
57.07058	4.7
58.38770	1.6
60.08144	4.0
61.02909	4.4
65.03934	4.7
67.05496	94.5
69.03419	2.9
69.07058	27.5
71.04984	2.5
71.07343	2.0
71.21243	3.9
72.98187	1.8
78.21941	1.7
79.05009	1.7
79.05480	62.3
81.07047	100.0
83.04958	4.0
83.08604	12.0
85.02894	3.5
85.06532	2.4
86.09691	22.1
91.05468	40.3
93.07030	78.6
95.04966	6.5
95.08595	85.9
97.02882	2.3
97.06519	2.6
97.10152	6.0
98.98415	3.1
99.08112	2.1
105.07017	35.2
107.08582	44.6
109.06505	3.3
109.10142	34.8
111.08043	1.7
111.11716	2.2
112.99955	1.6
117.07050	9.3
119.08565	31.0
121.10126	33.7
123.06384	1.5
123.08034	2.7
123.11702	13.0
124.99975	15.3
125.09594	1.9
129.06978	3.0
131.08548	22.1
133.10110	26.5
135.08060	2.5
135.11670	23.1
137.13248	5.1
139.11130	1.9
143.08591	3.6
145.10086	14.9
147.11668	15.8
149.09560	3.2
149.13240	17.9
151.14801	1.8
157.10144	3.5
159.11671	14.4
161.13254	10.7
163.14822	6.4
169.10071	1.9
170.60693	1.7
171.11646	3.6
173.13213	12.4
175.14841	4.5
180.75447	1.6
184.07323	71.9
184.09027	3.4
185.13274	3.3
187.14812	6.0
189.16364	3.3
191.76939	1.6
199.14786	3.8
201.16171	2.3
203.17953	2.9
217.19301	1.9
227.18045	3.7
229.19402	2.7
231.20930	1.9
241.19429	3.0
243.21152	5.0
245.19031	7.0
247.20560	14.8
249.21997	1.8
259.20563	6.1
261.22092	16.6
277.21832	2.2
300.20026	1.7
303.22882	2.0
317.24835	2.2
319.22610	5.2
321.24194	95.7
323.25873	7.9
333.24255	5.7
335.25760	99.1
336.25940	2.6
337.27432	10.5
396.31006	1.7
507.41943	4.7
517.39063	1.8
525.43286	2.6
581.45599	28.6
599.46637	24.8
778.53510	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.8
57.07067	79.4
59.04710	1.0
59.04988	12.5
61.35645	0.7
63.69049	0.7
69.07053	1.4
69.72388	5.1
69.72812	1.5
71.08620	50.8
72.08958	0.8
73.02908	1.8
73.06541	5.3
83.08587	1.0
85.10171	42.1
86.09647	0.9
87.04455	19.1
89.06017	100.0
90.06361	1.7
97.10134	0.9
99.11726	5.6
103.07561	6.7
107.07061	3.8
113.05994	1.0
113.13281	1.7
113.81069	0.7
117.09097	5.6
120.28465	0.8
130.08614	6.1
131.06252	0.8
131.07030	7.1
133.08583	81.3
134.08928	1.1
155.17969	3.8
161.11693	2.8
163.55470	0.8
167.22639	0.8
175.09651	6.1
175.13350	0.9
177.11198	38.5
177.64900	0.8
189.76540	0.7
207.55788	1.1
213.22075	6.2
218.81184	0.9
219.12262	2.5
221.13818	7.9
223.15353	1.0
239.14845	2.5
257.24826	5.6
265.16428	1.4
283.17447	3.1
309.18909	1.9
321.22836	0.8
327.20117	2.1
353.21616	1.3
371.22675	2.1
373.70425	0.8
397.24078	1.1
415.24829	0.9
441.26874	0.9
459.27902	1.0
503.30664	1.9
547.33075	9.0
684.09161	0.9
759.53662	2.5
776.57104	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	777.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.6
55.05724	0.6
55.98966	0.6
56.05018	0.6
58.06563	2.6
65.03942	3.0
66.40562	0.6
67.02150	0.6
67.05500	6.0
69.07033	2.1
70.06586	9.9
71.45671	0.8
71.45998	0.9
72.08109	1.6
79.05480	3.6
81.07050	10.7
82.06544	1.3
83.08579	1.7
84.04472	0.6
84.08104	2.0
89.06020	0.5
91.05470	62.8
93.07051	3.0
94.06542	0.9
95.04878	0.7
95.08598	6.9
96.08123	6.8
97.06513	0.8
97.08873	0.8
97.10155	1.1
98.09660	2.3
105.06996	1.7
106.06548	0.8
107.08599	2.9
108.08063	0.8
109.10106	2.6
110.09633	1.9
119.08556	1.0
121.10122	1.1
131.08519	1.0
133.10127	0.7
134.09648	0.7
136.11194	0.7
145.10152	0.7
146.79482	0.6
161.37759	0.5
162.71745	0.5
191.21179	0.6
212.16321	1.1
220.16931	3.8
222.18509	30.4
227.27036	0.6
238.17990	8.9
240.19556	91.4
241.19853	1.2
247.18132	1.3
256.18976	0.8
258.20563	1.2
270.83972	0.6
330.24149	0.8
357.25540	0.7
462.36008	0.7
477.36902	7.2
478.37122	0.8
479.38397	100.0
480.38702	2.6
486.37155	1.0
502.36371	3.1
521.33960	3.0
547.76166	0.8
594.42578	48.1
595.42865	2.5
628.41315	20.4
629.41150	0.8
665.50659	0.9
690.56940	0.6
754.84967	0.8
777.99652	0.7
778.45050	0.7
808.58539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.2
55.05502	42.2
57.03432	4.0
57.07068	19.3
59.04694	0.9
59.04991	15.7
61.02909	1.2
64.65509	0.5
67.05495	5.8
68.99783	0.7
69.03415	9.3
69.07058	50.3
69.58963	3.6
69.59372	0.9
70.06588	3.5
71.04981	3.8
71.08624	5.7
72.08111	0.7
72.74215	0.5
73.02915	0.8
73.06534	0.7
79.05474	1.1
79.42299	0.5
81.03407	10.6
81.07042	14.7
83.04963	1.8
83.08607	100.0
84.08135	0.9
84.08932	0.6
85.02893	20.2
85.06528	1.2
85.10156	0.7
86.09701	1.9
87.00812	8.3
87.04446	5.7
89.06017	56.6
91.05457	0.7
93.07054	1.4
95.04974	0.9
95.08590	10.1
97.02876	8.0
97.10155	44.5
99.04441	3.4
99.08102	2.2
101.06025	0.7
101.09641	0.9
103.03908	1.3
103.07571	3.4
105.01852	6.8
105.06982	0.6
107.07056	2.2
107.08601	1.5
109.02860	8.8
109.06493	0.6
109.10130	7.4
111.04437	2.2
111.11700	5.2
113.09640	0.9
117.01868	0.9
117.09118	5.0
119.08548	1.0
119.67984	0.6
120.08102	1.7
121.06509	0.9
121.10123	0.6
123.11674	5.2
125.06006	0.5
125.13252	6.5
127.03896	12.5
127.11192	0.8
129.01848	1.1
130.08658	1.1
131.07039	2.6
131.10651	0.8
133.08583	44.9
135.10152	0.9
135.11652	0.5
137.13217	3.5
139.07607	0.6
139.14781	5.4
143.14281	1.1
145.04903	3.8
145.08623	0.7
147.10193	1.5
149.09531	0.5
151.07593	0.6
151.09709	1.0
151.14787	0.8
155.14365	0.9
157.15839	2.5
159.02866	3.2
165.09111	1.3
165.16359	1.0
167.07066	1.2
175.09698	1.7
177.11205	21.1
179.17917	3.1
183.17529	1.1
185.08109	1.2
189.03954	0.8
191.12802	1.8
193.14296	0.9
195.12242	3.4
197.18997	4.3
201.18428	3.6
204.41910	0.6
211.20468	0.8
213.03998	1.5
215.20024	11.5
219.12202	1.1
221.13828	7.1
231.05132	2.9
235.15398	1.9
237.16898	1.0
238.18108	0.7
239.14854	18.7
241.21663	1.9
249.06119	0.8
253.16502	2.0
255.23177	7.2
259.22620	4.7
264.01456	0.5
265.16461	1.3
273.24350	1.8
279.17969	4.4
283.17487	13.5
289.09024	3.2
293.19687	1.5
297.19025	15.1
311.20694	1.5
323.20633	2.3
337.22086	2.8
341.21655	3.9
351.23972	0.6
355.23193	2.7
356.66568	0.6
439.32083	1.6
457.33145	3.3
475.34311	1.4
493.37286	51.0
494.38159	0.8
511.38339	17.9
776.46869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
55.05502	2.0
56.04988	0.6
57.01450	0.1
57.07059	0.2
58.06594	1.2
65.03906	0.3
67.05493	2.5
68.04982	0.4
69.03397	0.4
69.07057	2.5
70.06580	8.6
70.29955	0.3
70.30323	0.7
71.04939	0.6
71.06893	0.2
72.08105	0.6
76.86542	0.1
79.05059	0.2
79.05480	2.7
80.04971	0.5
81.03396	0.3
81.05777	0.2
81.07042	5.1
82.06564	1.3
83.04922	0.2
83.08601	0.9
84.04484	0.8
84.08132	1.6
85.02838	0.6
85.06497	0.3
86.09694	3.1
87.05591	0.2
87.09997	0.3
88.03943	0.2
91.05458	1.7
93.06482	0.2
93.07025	2.6
94.06559	1.7
95.04972	1.0
95.07330	0.3
95.08588	4.0
96.07546	0.2
96.08110	3.2
97.06474	0.4
97.08852	0.2
97.10113	0.7
98.06018	0.2
98.09679	1.1
99.08050	0.2
104.05270	0.4
105.01849	0.2
105.07025	1.7
106.06512	0.2
107.04892	0.4
107.07327	0.8
107.08563	1.9
108.07432	0.2
108.08104	3.1
109.02810	0.2
109.06459	0.5
109.08910	0.3
109.10146	1.2
110.07101	0.3
110.09669	1.4
115.69620	0.1
117.06960	0.5
119.04850	0.2
119.08556	1.2
120.08083	1.6
121.06496	0.3
121.10103	1.1
122.09648	2.2
123.04358	0.7
123.07997	0.3
123.10404	0.5
123.11650	0.4
124.07554	0.2
124.11180	1.0
127.03852	0.5
129.10254	0.3
130.08589	0.3
131.08548	0.8
132.08028	0.4
133.06465	0.4
133.10056	0.5
134.09605	0.5
135.07983	0.4
135.11681	0.4
136.07518	0.4
136.11151	0.4
137.05890	0.4
137.09554	0.2
137.13225	0.2
138.09128	1.3
140.10637	0.3
143.08495	0.4
145.06387	0.2
145.10130	0.9
146.06216	0.3
147.04314	0.3
147.07961	0.3
147.11594	0.5
148.07471	0.2
149.13249	0.2
152.06987	0.4
152.10638	0.2
154.12206	0.2
155.14240	0.2
157.10052	0.2
159.07996	0.3
159.11646	0.3
161.13210	0.2
163.11128	0.3
164.07030	0.4
165.09064	0.2
166.08592	0.3
167.06961	0.4
170.11745	0.4
172.03876	0.3
173.13084	0.3
174.05780	0.4
174.12721	0.2
176.14362	0.2
177.12677	0.2
181.04849	0.3
183.11409	0.2
187.11021	0.2
190.15918	0.4
192.13797	0.2
192.17451	0.8
194.15392	0.2
194.19032	0.3
201.12302	0.2
202.15901	0.9
204.06490	0.4
210.14783	0.2
212.16438	0.3
218.15442	0.9
220.16931	19.4
221.17317	0.8
221.20090	0.6
222.18500	13.7
223.18832	0.5
224.56424	0.2
236.16403	0.8
238.17976	47.8
239.11713	0.2
239.18335	2.5
239.21138	0.5
240.19542	49.3
241.19868	1.8
246.17766	0.3
251.11783	0.2
256.19009	1.9
258.20551	0.5
262.17953	0.4
263.11719	0.6
265.13226	0.2
267.11237	0.3
269.12521	0.2
279.11325	0.4
280.11609	0.2
285.12183	0.3
285.31305	0.2
290.09164	0.2
291.10928	0.2
296.11304	0.3
297.12296	0.9
298.12622	0.3
309.12283	0.8
310.13004	0.4
311.13287	0.2
321.12204	0.2
337.11810	0.3
338.12561	0.2
339.13208	0.3
357.14252	0.2
369.14407	1.4
370.14694	0.5
371.15625	0.2
448.18674	0.3
455.31348	0.3
459.35461	0.9
460.18817	0.4
460.34494	0.3
461.18372	0.2
473.32059	0.2
475.35196	0.7
476.35342	0.5
477.36810	100.0
478.37149	6.7
479.38022	1.6
480.21115	0.3
480.39215	0.2
481.21460	0.3
492.21082	1.3
493.21619	0.7
494.22189	0.2
501.36810	0.7
516.25488	0.3
519.37891	4.0
537.38776	0.3
635.38904	1.2
641.41089	1.2
653.40527	0.4
757.42096	0.5
775.43652	11.8
776.43848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79880	1.8
55.01857	3.6
55.05510	28.6
57.03434	17.1
57.07058	5.3
59.04978	2.3
61.02916	15.2
65.03924	4.9
67.05497	83.3
69.03400	7.0
69.07063	28.4
71.04964	3.5
71.08607	2.9
73.02900	3.6
79.05013	3.1
79.05480	71.1
81.03393	8.3
81.07047	88.4
83.04958	4.2
83.08620	11.1
85.02886	14.3
91.03931	5.1
91.05470	74.0
93.07030	81.1
95.04962	11.0
95.08595	65.2
97.02865	13.5
97.06502	6.5
97.10128	5.9
99.08103	2.8
100.25617	2.1
101.02473	1.9
103.05435	2.4
105.04456	1.9
105.07009	64.7
107.04964	3.0
107.08581	44.6
109.06488	5.8
109.10136	23.9
115.05455	4.3
117.06983	19.2
119.08568	60.4
121.06488	3.2
121.10131	35.2
123.11665	8.0
127.03969	3.3
128.06212	3.2
129.06973	14.4
131.08566	41.6
133.10115	51.8
135.07954	3.1
135.11674	27.1
137.13248	2.6
139.77161	2.2
141.06937	3.0
142.07745	2.4
143.08565	17.3
145.09053	3.1
145.10117	36.6
147.08005	3.9
147.11674	37.9
149.13226	14.3
155.08539	7.1
157.10130	19.2
159.07973	3.1
159.11681	29.2
161.13245	23.5
163.11127	2.7
163.14815	6.3
169.10126	9.1
171.11670	15.8
173.09691	3.6
173.13248	19.0
175.14775	14.1
177.16467	2.2
181.02786	2.2
181.10101	4.3
183.11656	9.0
185.13239	17.4
187.11212	2.7
187.14821	7.2
189.16454	2.3
193.10126	2.1
195.11665	4.4
197.09521	2.6
197.13191	5.4
199.14828	9.5
201.16370	3.0
209.13181	3.0
211.14847	5.3
213.16370	6.8
215.17831	3.2
223.14761	3.2
225.16382	4.8
229.19450	3.6
231.21046	3.5
239.17960	4.1
241.19592	20.4
243.20959	2.9
257.18826	6.7
259.20551	45.5
260.20895	3.0
261.22144	10.8
271.20554	2.8
275.19809	3.1
277.21780	2.2
283.20569	2.4
285.21976	2.6
297.22070	2.9
301.21738	4.9
313.21558	3.0
315.23026	3.8
331.22681	3.2
333.24176	35.2
335.25772	67.6
336.26123	3.8
337.27530	4.7
339.26950	2.5
367.22623	4.4
385.23712	2.4
393.25931	2.2
541.38800	2.6
593.45813	11.0
609.44604	4.3
611.46594	100.0
612.46521	7.4
701.47333	5.7
737.49915	3.7
755.50342	4.8
773.51282	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	773.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.3
55.05500	2.2
56.05001	0.2
57.07042	0.2
58.06559	0.6
65.03936	0.2
67.05496	2.0
68.04977	0.7
69.03418	0.4
69.07056	3.6
69.41609	1.3
69.42038	1.0
70.06583	4.9
71.04945	0.6
72.08095	0.7
79.05483	2.3
80.04964	0.6
81.03384	0.5
81.07047	5.1
82.06546	1.1
83.08575	0.8
84.04441	0.6
84.08140	1.4
85.02869	1.0
85.06541	1.1
85.06913	0.2
86.09705	1.3
87.00788	0.3
91.05463	1.4
93.07025	2.6
94.06021	0.2
94.06555	2.4
95.04915	0.8
95.07295	0.4
95.08587	3.0
96.07549	0.3
96.08114	4.4
97.02850	0.4
97.06496	0.3
97.10127	0.7
98.06740	0.2
98.09643	0.8
99.08026	0.8
103.54417	0.2
105.01798	0.3
105.07024	1.5
107.04901	0.4
107.07331	1.9
107.08578	2.2
107.29907	0.2
108.08106	4.9
108.08828	0.3
109.02876	0.3
109.06461	0.4
109.08877	0.6
109.10143	1.6
110.09663	1.8
111.08028	0.5
111.11667	0.2
115.09523	0.2
119.08569	1.1
120.08106	1.9
121.06464	0.2
121.10085	0.9
122.09656	3.1
123.04414	0.5
123.08058	0.4
123.10390	0.4
123.11656	0.9
124.07548	0.4
124.11203	1.2
127.03862	0.5
129.10155	0.4
131.08502	0.7
132.08028	0.2
133.06404	0.3
133.10088	0.7
134.09593	0.5
135.08038	0.3
135.11642	0.6
136.11189	0.6
137.13162	0.2
143.08524	0.4
143.11821	0.2
145.10080	0.7
146.09554	0.3
147.11671	0.3
148.11147	0.4
149.02271	0.2
149.09511	0.3
149.13188	0.6
150.12729	0.2
157.10091	0.3
163.11171	0.3
169.13248	0.3
170.11742	0.5
174.12749	0.3
176.14439	0.3
185.13181	0.4
190.15858	0.4
192.13731	0.3
192.17433	1.8
202.15886	1.3
205.19359	0.3
217.15581	0.2
218.15414	1.9
219.18533	0.4
220.16940	28.6
221.17267	0.4
222.18474	3.5
223.20624	0.4
236.16455	1.9
236.51813	0.2
237.19724	0.3
238.17981	59.3
239.18405	1.2
240.19559	13.5
241.21599	0.6
252.19682	0.3
256.19070	3.3
262.17953	0.4
291.26767	0.5
309.27872	0.8
310.49789	0.2
327.28799	0.4
457.34189	0.6
475.35245	100.0
476.35519	3.3
477.37253	0.6
489.36572	0.5
491.38269	0.4
499.35217	0.6
517.36255	2.5
557.33228	0.4
633.37262	0.6
639.39996	0.8
651.38293	0.7
657.41077	0.6
773.42126	8.3
774.42053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.6
55.05505	3.7
56.04987	1.6
57.03403	0.7
58.06599	4.1
63.66542	0.5
67.05493	8.8
68.04999	0.6
69.03374	0.5
69.07065	4.6
69.70673	3.2
70.06583	26.8
72.08141	2.2
79.05482	6.0
80.04973	1.3
81.07048	13.9
82.06562	3.0
83.04928	0.8
83.08601	2.3
84.04452	1.5
84.08135	3.5
85.02862	1.2
85.06492	0.7
86.09692	2.4
86.56370	0.5
91.05470	3.2
93.05753	0.5
93.06566	0.4
93.07028	4.8
94.06558	6.2
95.04912	1.3
95.08592	12.0
96.07555	0.5
96.08112	6.9
97.06476	0.6
97.08855	2.0
97.10131	0.9
98.05980	0.6
98.09681	3.0
100.02171	0.5
105.06503	0.4
105.07023	4.1
106.06519	0.4
107.04955	0.7
107.07372	0.9
107.08562	3.4
108.07407	0.5
108.08106	6.2
108.69875	0.4
109.06482	0.9
109.10135	3.5
110.05981	0.4
110.09671	3.4
111.04401	1.0
111.07993	0.5
112.07590	0.4
112.11147	0.5
112.54642	0.4
114.09108	0.5
115.05405	0.5
117.06963	1.3
118.06537	0.5
119.08567	2.4
120.08077	3.5
121.02774	0.8
121.08839	0.9
121.10095	1.9
122.09655	5.7
123.04411	11.3
123.08042	1.0
123.10406	0.8
123.11657	1.7
124.11176	1.0
127.03902	0.5
129.06909	0.8
129.10175	0.7
131.08539	1.0
133.10086	1.5
134.09616	1.4
135.04393	1.0
135.10406	0.5
135.11627	1.0
136.07532	0.7
136.11153	1.9
137.02272	0.6
137.05942	0.9
138.09067	0.6
139.03868	0.5
139.54514	0.5
140.10666	0.9
143.08461	0.7
145.10054	1.5
147.04381	1.3
147.11649	1.5
148.11151	0.9
149.02325	4.3
149.05959	1.1
150.05423	0.9
150.12704	1.0
152.14365	0.6
154.12201	0.8
155.08221	0.5
157.06427	0.6
157.10143	0.6
161.05940	1.2
161.13161	0.5
163.11205	0.5
163.14740	0.5
167.03435	0.5
169.06427	0.5
173.05942	2.1
175.07492	1.0
178.15837	0.7
181.10181	0.5
187.07523	2.2
187.14789	0.7
190.08630	0.5
192.17355	0.5
194.15359	0.7
194.19009	0.7
195.08035	0.6
202.08643	1.4
204.17432	0.7
207.11671	0.5
209.09625	0.5
212.16368	0.9
213.09081	0.6
214.08508	0.8
218.15372	1.1
220.16902	7.1
221.20096	0.8
222.14859	2.2
222.18491	41.5
223.18623	0.7
224.16476	0.8
225.09152	0.7
228.10121	0.8
229.10907	0.8
230.11670	1.0
232.16916	1.8
234.18465	3.1
236.16345	0.8
238.17975	14.9
239.18604	1.3
239.21121	1.2
240.19548	100.0
241.19875	1.8
250.17990	9.3
250.20369	0.9
251.18658	0.7
252.19565	8.6
254.21237	0.8
256.19089	1.5
258.20688	2.1
268.18991	1.0
272.16403	0.7
315.15897	0.6
317.17291	0.5
354.20847	2.6
356.22211	1.5
364.19012	1.4
372.21613	6.7
374.23196	7.1
382.20062	3.4
384.21814	0.8
392.24176	0.9
400.21317	2.4
402.22626	1.2
418.22379	1.5
461.33514	0.6
471.35843	1.4
475.35309	8.4
476.35480	0.7
489.36813	54.4
490.37189	1.6
508.20148	0.6
595.40979	7.0
596.39856	0.6
611.40491	1.8
613.41943	12.2
621.38788	1.0
639.39948	41.6
640.40216	1.2
657.40979	24.6
658.41699	0.7
755.41052	3.5
773.42041	50.0
774.42230	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	773.2118
Annotation	Myricetin 3-(2G-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
55.01850	0.4
55.05502	0.8
57.03426	2.1
59.04974	0.2
61.02908	0.4
62.52958	0.1
63.55865	0.1
67.05492	0.2
68.99784	0.4
69.03423	1.4
70.06580	0.9
70.28356	0.4
71.01347	0.3
71.04979	13.3
72.05312	0.1
72.08143	0.2
73.02906	1.1
73.19387	0.1
75.04460	0.7
81.03396	0.5
83.04487	0.2
83.04964	3.4
84.04498	0.2
84.08139	0.2
85.02889	17.6
86.03236	0.1
86.09687	0.4
87.04455	0.3
95.04938	0.5
97.02874	1.3
97.06505	0.2
98.21544	0.1
99.04411	0.6
109.02844	0.5
109.25699	0.1
111.00790	1.0
111.04420	2.3
113.05984	0.3
117.05496	0.6
121.02880	0.1
121.06524	0.1
123.04389	0.1
125.02375	0.8
126.03117	0.5
127.03909	1.2
129.04500	0.3
129.05458	5.3
129.10190	0.3
137.02301	1.1
137.05917	0.1
139.03848	0.5
142.33334	0.1
145.04942	0.7
147.04443	0.2
147.06493	2.1
147.07689	0.1
149.05969	0.2
151.03853	0.1
153.01799	5.9
153.05334	0.8
154.02193	0.1
157.04938	0.2
157.06262	0.1
159.06494	0.1
161.06052	0.2
163.05972	0.8
165.01802	4.4
166.02574	0.4
171.06512	0.4
172.07175	0.1
177.05446	0.3
179.03331	1.6
183.02899	0.5
183.06483	0.1
189.05481	0.2
193.01227	0.3
195.02853	2.4
195.47632	0.1
199.03922	0.1
201.07539	0.2
203.03363	0.5
207.02853	1.9
213.07420	0.3
217.04884	0.8
221.04488	0.6
227.03371	0.2
229.04927	0.4
231.02780	0.6
232.03674	0.6
235.02313	0.3
237.07678	0.1
239.09096	1.0
245.04416	3.7
246.04893	0.2
249.03857	0.4
255.02782	0.3
255.08688	0.1
257.10165	0.4
259.02432	0.1
263.05365	0.5
273.03882	6.4
274.04346	0.2
275.11166	0.5
283.02420	0.4
290.04190	1.6
291.04779	0.2
293.12299	0.2
301.03348	2.0
303.04916	1.1
319.04410	100.0
320.00992	0.2
320.04727	3.6
331.04431	0.4
343.04202	0.2
361.05307	0.7
385.05646	0.3
429.08105	0.3
447.09030	0.3
463.08612	0.1
465.10239	1.8
481.03128	0.1
481.09705	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	773.2122
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01865	0.2
55.05505	0.2
57.03427	1.8
59.05001	0.1
61.01243	0.1
61.02917	0.5
65.03927	0.2
68.99802	0.2
69.03415	1.1
69.76994	0.7
70.06578	0.8
71.01355	0.2
71.04982	9.6
72.08134	0.3
73.02905	0.4
75.04473	0.4
80.32489	0.1
81.03400	0.7
83.04961	0.8
84.04498	0.1
84.08131	0.3
85.02891	14.5
86.06068	0.1
86.09700	0.3
87.04455	0.4
92.58804	0.1
93.03352	0.1
94.90675	0.1
95.04945	0.2
97.02875	1.1
98.21490	0.2
99.04444	0.3
108.15539	0.1
109.02839	0.6
110.07162	0.3
111.00768	0.7
111.04402	0.5
120.08155	0.1
121.02860	0.5
123.04396	0.2
127.03896	0.9
127.08716	0.1
129.05455	3.1
129.06387	0.2
129.10263	0.2
135.04404	0.2
136.07556	0.2
137.02319	2.0
137.03304	0.2
145.04930	0.7
147.06505	1.0
149.02359	0.5
153.01787	2.3
161.05988	0.2
163.03882	1.0
164.04199	0.1
165.01811	1.5
166.02644	0.1
170.21094	0.1
173.05940	0.2
177.05627	0.1
177.22852	0.1
181.01219	0.1
183.02890	0.6
185.21574	0.1
187.03862	0.2
191.03391	0.1
195.02824	0.3
201.05463	0.9
207.02811	0.1
219.02884	0.2
219.06503	0.2
228.04306	0.1
229.04962	2.9
245.04539	0.1
247.06021	0.6
257.04416	2.2
273.03973	0.2
274.04721	0.4
275.05524	0.2
279.91501	0.1
285.03934	1.1
303.04935	100.0
304.05350	1.9
315.05002	0.2
319.04434	5.8
320.05170	0.1
345.05814	0.5
373.25327	0.1
411.07465	0.1
447.09000	0.2
449.10590	0.3
465.10223	30.4
466.10532	0.7
481.09772	0.2
540.93304	0.1
627.15424	0.5
762.17487	0.1
773.39032	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	773.2123
Annotation	Myricetin 3-(2G-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
55.01873	0.3
55.05499	0.8
57.03428	2.3
57.48702	0.1
59.04992	0.2
61.02913	0.3
65.03942	0.2
67.05498	0.3
68.99783	0.7
69.03419	1.5
69.33790	0.3
69.34213	0.7
70.06585	2.2
71.01357	0.3
71.04981	13.5
72.08142	0.3
73.02899	1.2
75.04464	0.7
81.03405	0.5
83.04965	2.9
84.04511	0.3
84.08137	0.6
85.02892	18.6
86.03261	0.1
86.09698	0.8
87.04461	0.4
91.05472	0.2
93.07053	0.2
95.04953	0.6
97.02880	1.2
97.06513	0.2
99.04441	0.8
101.06012	0.2
102.05533	0.3
103.05497	0.1
105.07014	0.2
106.37061	0.1
109.02853	1.3
110.07152	0.3
111.00779	2.0
111.03706	0.2
111.04430	2.5
113.05988	0.4
115.08713	0.1
117.05500	0.6
117.06953	0.1
118.43167	0.1
119.08582	0.1
120.08076	0.3
121.02845	0.3
121.06520	0.1
123.04408	0.1
125.02313	0.2
125.05968	0.1
127.03902	1.3
129.05463	5.5
129.10245	0.6
129.59041	0.1
132.64386	0.1
136.07561	0.3
137.02322	1.5
137.05969	0.2
139.03900	0.4
141.05489	0.1
145.04938	0.5
147.04454	0.1
147.06497	2.1
149.02361	0.2
149.05965	0.2
151.03952	0.1
153.01802	6.6
153.05431	0.9
154.02058	0.1
155.04773	0.1
157.04990	0.2
157.09767	0.1
159.06532	0.2
161.05956	0.2
163.03944	0.1
163.05991	0.7
165.01811	3.1
166.02635	0.4
167.03435	0.1
167.07033	0.1
171.04474	0.1
171.06505	0.4
177.05487	0.3
179.03387	1.1
183.02896	0.8
183.06509	0.2
183.15021	0.1
189.05438	0.5
193.01289	0.2
195.02843	0.7
199.03908	0.2
201.07614	0.3
203.03383	0.5
207.02826	0.5
213.07498	0.2
217.04932	1.8
221.04430	0.3
227.03319	0.3
229.04921	0.3
231.02850	0.3
235.02292	0.3
239.09132	1.0
240.06346	0.1
245.04437	3.5
255.02867	0.7
257.10205	0.4
263.05331	0.7
272.03232	0.1
272.29947	0.1
273.03897	4.5
274.04343	0.2
275.11163	0.6
283.02460	0.1
290.04150	1.1
291.04910	0.2
293.12186	0.1
301.03397	0.9
302.04236	0.1
303.04947	2.2
319.04425	100.0
320.04776	3.1
320.08041	0.1
331.04410	0.3
343.04370	0.2
357.06226	0.1
361.05515	0.9
372.80389	0.1
385.05353	0.3
429.08041	0.3
447.09039	0.3
465.10190	1.8
469.88779	0.1
481.09631	1.8
579.30896	0.2
732.55969	0.1
732.70392	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	773.2104
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01856	0.3
55.05494	0.3
55.27687	0.1
56.05028	0.1
57.03430	1.4
61.02913	0.5
65.03924	0.1
67.05482	0.2
68.99789	0.3
69.03421	1.2
69.07033	0.1
69.45972	0.4
69.46392	0.3
70.06578	1.1
71.01333	0.2
71.04983	6.6
72.08132	0.3
73.02902	0.2
74.89132	0.1
75.04462	0.3
81.03408	0.6
81.07056	0.1
83.04971	0.5
84.04491	0.2
84.08128	0.4
85.02891	11.9
86.03165	0.1
86.09702	0.7
87.04450	0.3
91.03935	0.2
93.03419	0.1
93.06986	0.1
95.04951	0.2
95.08609	0.3
97.02882	1.6
98.06029	0.1
99.04441	0.3
102.05550	0.1
105.07021	0.1
107.08577	0.4
109.02866	0.5
111.00797	0.6
111.04453	0.4
115.03893	0.1
119.08573	0.2
120.08113	0.2
121.02835	0.6
123.04411	0.2
123.08061	0.2
127.03892	1.2
129.05461	2.7
129.10223	0.2
131.04985	0.1
135.04393	0.1
135.11740	0.2
137.02324	2.2
137.03296	0.1
137.05945	0.1
137.09538	0.6
145.04924	1.1
147.04399	0.1
147.06503	0.7
147.11615	0.1
149.02348	0.4
149.09572	0.2
153.01802	2.4
155.04831	0.1
156.96631	0.1
161.05984	0.2
161.13188	0.2
163.03882	0.4
163.06006	0.2
165.01820	1.8
166.02577	0.3
171.02936	0.1
173.05952	0.3
177.05470	0.1
183.02905	0.7
183.04321	0.1
187.03944	0.2
189.12743	0.2
192.74785	0.1
195.02895	0.3
201.05446	1.2
205.05043	0.1
207.13773	0.7
213.05438	0.1
215.03365	0.1
219.02872	0.1
219.06508	0.2
220.17027	0.3
225.14803	0.2
229.04941	2.9
238.17975	1.4
238.68187	0.3
239.18396	0.1
246.17693	0.2
247.05994	0.7
255.08511	0.1
257.04385	2.5
274.04724	0.7
275.05371	0.3
285.03888	1.4
286.04596	0.1
302.04251	0.2
303.04935	100.0
304.05280	2.5
315.04904	0.2
319.04379	0.3
327.05054	0.1
345.05960	0.5
369.06152	0.1
431.09875	0.1
434.33478	0.1
449.10892	0.6
465.10229	29.8
466.10547	1.4
475.35455	0.2
476.34836	0.1
505.07397	0.1
507.11292	0.2
544.77185	0.1
627.15863	0.1
773.41595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94094	0.9
55.05500	6.3
56.05017	2.6
61.01133	7.5
65.03936	0.9
67.05491	8.7
68.05017	1.5
69.03411	1.6
69.07058	9.7
69.64108	7.5
70.06580	100.0
71.04976	2.0
71.06915	1.8
72.08153	6.9
76.02258	0.9
79.05482	9.3
80.05021	2.8
81.05807	1.3
81.07040	10.7
82.06581	5.6
83.05002	1.2
83.06107	0.8
83.08602	1.9
84.04479	9.7
84.08119	4.5
84.88813	1.0
85.02895	3.3
86.09686	8.3
91.05458	5.9
93.05781	1.5
93.07021	6.1
94.06555	16.2
95.04987	1.8
95.07334	1.0
95.08608	6.9
96.08109	12.0
97.02927	0.9
97.06557	1.2
97.08907	1.1
97.10162	1.2
98.06064	1.1
98.09729	1.0
101.07137	5.8
102.63429	0.9
105.07023	5.6
106.06543	2.8
107.07324	10.4
107.08541	5.6
108.08098	17.9
109.08904	3.7
109.10104	2.2
110.07153	2.6
110.09654	6.9
111.10477	1.0
115.08665	1.3
116.07065	7.3
117.07013	2.1
118.06857	94.0
119.07239	1.4
119.08586	3.0
120.08078	12.8
121.02865	2.7
121.08892	1.7
121.10149	3.7
122.05971	1.5
122.09644	12.5
123.04404	5.7
123.08015	1.1
123.10431	2.6
123.11690	1.0
124.11191	5.5
125.09584	1.0
127.08710	1.1
129.06650	3.6
129.10278	1.3
130.06508	3.4
131.08530	1.3
132.08073	1.8
133.10129	2.9
134.09633	3.5
135.10446	1.2
135.11646	1.4
136.07602	2.5
136.11171	2.8
138.09113	1.7
143.08607	1.8
144.08066	1.0
145.10063	1.5
147.04436	1.6
147.11644	1.2
148.11211	2.5
149.02307	6.5
149.09700	1.2
155.08209	1.5
157.06075	2.0
159.09119	6.8
163.08966	13.6
170.06024	2.6
173.06004	1.4
176.14305	6.3
178.15947	3.7
182.12836	1.5
183.11362	2.9
187.07436	1.2
190.15903	1.6
192.17503	3.1
195.07765	1.0
200.14111	2.8
202.15953	3.5
204.13786	17.4
204.15607	1.1
204.95399	0.9
213.12308	24.1
213.14233	1.8
218.15378	6.8
220.16920	53.9
221.17229	1.7
222.14850	36.7
222.18564	2.5
223.12303	1.4
224.16431	1.2
229.11024	0.9
230.11581	1.0
231.12326	0.9
232.17009	1.5
234.18503	2.3
236.16425	11.2
237.17052	1.0
238.17979	95.1
239.18576	4.0
240.19548	11.1
240.21822	1.1
243.07986	2.5
246.12657	10.6
250.18022	5.7
252.19560	19.6
252.21985	1.5
254.21185	1.4
256.19031	9.4
274.12146	28.1
284.13754	0.9
317.06512	1.1
325.27444	1.5
334.14526	0.9
354.20581	1.2
356.22330	1.6
372.21548	7.9
373.14175	1.5
373.18945	30.3
374.23404	3.0
382.17444	1.5
384.21689	1.8
399.20007	6.2
400.21152	2.6
402.22644	1.2
471.35519	2.1
475.35010	2.3
487.35199	34.3
488.35834	3.1
489.36813	50.5
490.37350	2.2
491.12985	1.0
515.27808	5.5
531.27411	13.9
559.26892	35.3
560.26770	1.6
593.39026	1.2
609.37830	4.3
611.40521	6.4
637.38354	63.4
638.38538	3.2
655.39417	45.9
656.32062	2.5
656.41364	1.7
753.39575	1.6
754.51074	1.0
771.40411	32.6
772.41119	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	771.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94094	0.9
55.05500	6.3
56.05017	2.6
61.01133	7.5
65.03936	0.9
67.05491	8.7
68.05017	1.5
69.03411	1.6
69.07058	9.7
69.64108	7.5
70.06580	100.0
71.04976	2.0
71.06915	1.8
72.08153	6.9
76.02258	0.9
79.05482	9.3
80.05021	2.8
81.05807	1.3
81.07040	10.7
82.06581	5.6
83.05002	1.2
83.06107	0.8
83.08602	1.9
84.04479	9.7
84.08119	4.5
84.88813	1.0
85.02895	3.3
86.09686	8.3
91.05458	5.9
93.05781	1.5
93.07021	6.1
94.06555	16.2
95.04987	1.8
95.07334	1.0
95.08608	6.9
96.08109	12.0
97.02927	0.9
97.06557	1.2
97.08907	1.1
97.10162	1.2
98.06064	1.1
98.09729	1.0
101.07137	5.8
102.63429	0.9
105.07023	5.6
106.06543	2.8
107.07324	10.4
107.08541	5.6
108.08098	17.9
109.08904	3.7
109.10104	2.2
110.07153	2.6
110.09654	6.9
111.10477	1.0
115.08665	1.3
116.07065	7.3
117.07013	2.1
118.06857	94.0
119.07239	1.4
119.08586	3.0
120.08078	12.8
121.02865	2.7
121.08892	1.7
121.10149	3.7
122.05971	1.5
122.09644	12.5
123.04404	5.7
123.08015	1.1
123.10431	2.6
123.11690	1.0
124.11191	5.5
125.09584	1.0
127.08710	1.1
129.06650	3.6
129.10278	1.3
130.06508	3.4
131.08530	1.3
132.08073	1.8
133.10129	2.9
134.09633	3.5
135.10446	1.2
135.11646	1.4
136.07602	2.5
136.11171	2.8
138.09113	1.7
143.08607	1.8
144.08066	1.0
145.10063	1.5
147.04436	1.6
147.11644	1.2
148.11211	2.5
149.02307	6.5
149.09700	1.2
155.08209	1.5
157.06075	2.0
159.09119	6.8
163.08966	13.6
170.06024	2.6
173.06004	1.4
176.14305	6.3
178.15947	3.7
182.12836	1.5
183.11362	2.9
187.07436	1.2
190.15903	1.6
192.17503	3.1
195.07765	1.0
200.14111	2.8
202.15953	3.5
204.13786	17.4
204.15607	1.1
204.95399	0.9
213.12308	24.1
213.14233	1.8
218.15378	6.8
220.16920	53.9
221.17229	1.7
222.14850	36.7
222.18564	2.5
223.12303	1.4
224.16431	1.2
229.11024	0.9
230.11581	1.0
231.12326	0.9
232.17009	1.5
234.18503	2.3
236.16425	11.2
237.17052	1.0
238.17979	95.1
239.18576	4.0
240.19548	11.1
240.21822	1.1
243.07986	2.5
246.12657	10.6
250.18022	5.7
252.19560	19.6
252.21985	1.5
254.21185	1.4
256.19031	9.4
274.12146	28.1
284.13754	0.9
317.06512	1.1
325.27444	1.5
334.14526	0.9
354.20581	1.2
356.22330	1.6
372.21548	7.9
373.14175	1.5
373.18945	30.3
374.23404	3.0
382.17444	1.5
384.21689	1.8
399.20007	6.2
400.21152	2.6
402.22644	1.2
471.35519	2.1
475.35010	2.3
487.35199	34.3
488.35834	3.1
489.36813	50.5
490.37350	2.2
491.12985	1.0
515.27808	5.5
531.27411	13.9
559.26892	35.3
560.26770	1.6
593.39026	1.2
609.37830	4.3
611.40521	6.4
637.38354	63.4
638.38538	3.2
655.39417	45.9
656.32062	2.5
656.41364	1.7
753.39575	1.6
754.51074	1.0
771.40411	32.6
772.41119	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	771.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03451	0.4
54.10952	0.3
55.01834	0.5
55.05504	6.5
56.05000	1.0
57.03405	0.4
57.07040	0.5
58.06564	1.7
60.04498	0.5
65.03895	0.9
67.05175	0.6
67.05494	8.6
67.88324	0.4
68.05015	1.9
69.03400	0.7
69.07059	9.5
70.06583	20.4
71.04949	1.1
71.06887	0.6
72.08145	2.3
73.32429	0.4
74.06031	0.5
79.05488	7.5
79.82626	0.4
80.05000	2.8
81.03384	0.6
81.05777	0.7
81.07047	9.6
82.06576	5.3
83.04944	1.1
83.08613	2.3
84.04456	1.3
84.08138	3.9
85.02859	1.1
85.06506	0.7
86.09697	4.0
91.04966	0.4
91.05472	5.2
93.05744	1.3
93.07033	7.5
94.06561	12.0
95.04915	1.3
95.07291	1.5
95.08031	0.5
95.08595	5.8
96.08118	13.0
97.01187	0.4
97.06511	0.6
97.10119	1.4
98.09655	1.0
101.07107	0.4
102.05511	0.4
103.05425	0.4
105.07012	5.2
106.06496	1.3
107.04928	0.7
107.07328	6.4
107.08539	4.8
108.08108	19.2
109.02864	0.4
109.06478	1.0
109.08910	3.7
109.10142	2.3
110.07159	0.4
110.09666	5.5
111.04411	0.6
111.08025	0.4
111.11648	0.8
116.78600	0.3
117.06971	1.7
118.06841	0.9
119.04884	0.4
119.07916	0.3
119.08576	3.7
120.08086	7.9
121.02856	2.1
121.06523	0.4
121.08809	1.4
121.10126	2.3
122.09653	13.8
123.03562	0.6
123.04417	8.7
123.08036	0.5
123.10524	2.1
123.11655	1.3
124.07598	0.5
124.11256	3.4
127.03877	0.4
128.72276	0.4
129.06898	0.7
129.10181	1.1
131.07288	0.8
131.08514	2.0
132.08040	0.8
133.10095	2.0
134.09627	2.9
135.04373	0.7
135.08022	0.8
135.10442	0.5
135.11656	1.9
136.07536	0.9
136.11191	2.8
137.05925	1.0
137.09576	0.4
137.11992	0.5
138.05507	0.4
138.09087	0.8
138.12666	0.7
139.03874	0.6
139.11140	0.6
140.10620	0.4
143.08537	1.0
145.06419	0.6
145.10132	2.4
146.09610	0.8
147.04372	0.6
147.10458	0.3
147.11641	0.8
148.11162	1.6
149.02322	4.8
149.05902	0.7
149.13153	0.5
150.12749	1.3
155.08427	0.7
157.10022	0.9
158.09436	0.3
160.11140	0.7
161.05972	0.8
161.09538	0.5
162.05429	1.0
162.12724	0.9
163.03903	0.6
163.11121	0.8
164.14308	0.8
166.12202	0.5
169.06363	0.6
170.11728	1.3
171.42055	0.3
173.05969	1.6
173.13156	0.4
174.12740	1.1
175.07501	1.1
176.06950	0.8
176.14301	1.7
177.05489	0.4
178.15875	1.5
181.06505	0.6
181.09991	0.5
185.05975	0.4
186.12645	0.5
187.07474	1.6
188.07068	0.6
190.15869	1.9
191.14305	0.4
192.13866	0.7
192.17430	3.1
195.07939	0.4
199.07465	0.5
200.07004	0.7
201.09081	0.7
202.08531	1.1
202.15889	4.3
204.13835	6.5
210.14938	0.8
213.09048	1.0
213.12241	0.5
214.08543	0.8
217.11905	0.5
218.15384	7.1
219.18494	1.0
220.16940	64.5
221.17265	2.0
222.14882	8.0
222.18346	2.1
224.16382	1.2
228.10213	1.0
228.13603	0.4
229.10938	0.8
229.15491	0.7
230.11789	1.1
232.16948	2.0
234.18558	2.5
236.16435	7.5
237.09003	0.4
237.19638	2.1
238.17986	100.0
239.18387	3.5
240.10207	0.5
240.19563	5.8
242.11792	0.7
244.16862	0.5
248.16502	0.5
250.17993	8.4
252.19574	9.1
254.21414	0.5
256.19037	10.4
262.18069	0.7
268.18997	0.5
272.16464	0.6
289.25244	0.6
295.26227	0.5
307.26276	2.7
310.20255	0.4
325.27399	0.7
326.21353	0.6
343.28470	0.6
344.18521	0.5
354.20602	2.7
356.22214	1.0
364.19138	0.6
370.20157	0.7
372.21677	7.7
373.21899	0.6
373.85095	0.4
374.23227	4.5
382.19955	3.1
384.21335	0.8
392.24335	0.6
400.21179	2.9
402.22803	1.0
415.38165	0.4
418.22192	1.3
446.33038	0.4
459.32199	2.2
469.33954	0.9
473.33682	0.8
475.35397	0.9
487.35275	73.1
488.35583	4.7
489.36963	1.6
534.23224	0.9
542.56683	0.5
554.35138	0.4
593.39374	9.0
594.38611	1.1
609.38965	2.2
611.40479	12.7
612.40759	0.6
619.37433	0.9
637.38403	35.7
638.38361	2.4
655.39453	23.2
655.50922	0.6
656.39722	1.2
743.02100	0.4
753.39526	2.1
771.40479	56.8
772.40955	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	771.2317
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
55.01860	0.3
55.05491	0.5
57.03197	0.2
57.03426	1.9
61.02899	0.5
67.05478	0.5
69.03418	1.3
69.07060	0.2
69.27020	1.6
69.27437	0.5
70.06575	2.6
71.04977	11.4
73.02911	1.0
75.04459	0.5
78.26212	0.2
81.03401	0.4
83.04965	2.2
84.08118	0.2
85.02887	15.3
86.09688	0.5
87.04432	0.4
91.05456	0.4
92.02594	0.4
93.03371	0.6
95.04916	0.5
97.02884	1.3
97.06481	0.3
97.32983	0.2
99.04433	0.5
109.02822	0.3
111.04431	1.5
113.05974	0.3
117.05466	0.6
121.02823	0.3
126.03127	0.2
127.03885	0.7
129.05444	4.7
135.04433	0.4
139.03847	0.5
145.04941	0.7
147.06490	2.1
151.03856	0.6
153.01796	2.9
153.05452	0.7
157.05052	0.3
163.03850	0.8
163.06001	0.6
165.01775	0.7
201.05647	0.3
203.03351	0.2
213.07312	0.2
217.04811	0.2
219.10149	0.3
220.16875	1.1
228.04272	0.4
229.04890	1.4
229.86165	0.2
231.09633	0.3
236.16257	0.2
237.19588	0.3
238.18010	1.2
238.68472	0.2
239.08975	1.0
245.04376	0.7
246.05167	0.6
257.04449	1.6
257.10162	0.4
260.03229	0.3
273.03897	0.9
274.04648	2.1
285.03845	2.5
302.04138	8.7
303.04477	0.3
317.06488	100.0
318.06802	3.8
359.07559	0.8
383.07602	0.3
427.09769	0.4
463.12256	0.7
475.35342	0.4
479.11951	1.8
647.41339	0.2
753.39008	0.6
771.39777	0.7
800.64288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.8
57.05303	0.8
57.07069	57.6
59.04995	15.9
69.07036	1.5
71.08624	55.6
73.06551	5.2
83.08599	1.8
85.10172	51.2
87.04454	19.8
89.06019	100.0
90.06377	1.0
91.07570	1.3
96.08155	0.7
97.10163	1.2
98.21564	1.4
99.11716	4.6
103.07576	7.1
105.03381	1.7
107.07082	4.3
113.05972	1.2
115.07580	0.8
117.09106	5.2
130.08620	5.2
131.07040	8.3
133.08586	83.3
134.08891	1.3
141.16382	4.7
151.09587	0.9
157.08560	0.8
161.11676	2.4
170.77003	0.8
175.09659	6.5
177.11205	40.1
199.20546	6.6
219.12224	2.4
221.13821	6.8
239.14906	2.8
242.47731	0.8
243.23166	7.6
265.16388	1.6
267.17856	1.0
283.17484	3.4
309.19070	1.2
327.20084	2.8
353.21564	1.5
371.22775	1.1
415.25320	1.1
503.30322	2.9
529.32324	1.0
547.33167	9.7
566.45325	0.9
570.96063	1.0
587.36230	2.2
604.62439	1.0
678.02887	0.9
745.52777	1.7
762.55646	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	768.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05231	1.5
55.05502	26.8
57.03428	15.5
57.07069	7.8
61.02915	2.8
63.56590	0.7
65.03933	0.9
67.05493	56.3
69.03416	1.6
69.07056	32.9
70.83012	2.1
71.04973	2.3
71.08600	3.0
73.02905	1.2
79.05481	29.3
80.05808	1.3
81.07041	59.7
83.04965	2.2
83.08607	18.8
85.02888	2.8
85.06507	1.9
85.10168	1.0
91.05465	13.5
93.07025	39.1
95.04955	2.5
95.08592	46.1
96.08974	0.7
97.02867	2.5
97.06504	5.4
97.10155	11.2
99.08083	1.6
105.07012	9.9
107.08580	23.6
109.06487	1.0
109.10135	18.7
111.08067	2.4
111.11692	4.4
117.06981	3.3
118.58071	0.9
119.08555	9.2
121.10118	24.5
123.11702	9.4
131.08548	7.4
133.10103	5.9
135.11670	17.8
137.13246	4.8
145.10115	4.3
147.11626	4.8
149.13242	8.2
151.14835	1.5
159.11693	4.9
161.13237	3.4
163.14772	4.9
173.13246	3.8
175.14784	1.4
177.16365	1.7
187.14766	2.5
201.16415	1.0
219.21123	1.7
219.32120	0.9
233.22652	1.1
237.22070	3.6
243.21007	7.8
261.22083	30.7
277.21634	1.0
292.35800	1.0
309.24243	2.5
311.25754	100.0
312.26123	3.7
317.24899	5.0
335.25745	86.4
336.26096	4.1
337.27365	1.9
395.92169	0.8
459.80804	1.0
497.43149	2.1
515.44244	1.1
548.51605	1.0
571.38092	1.9
571.47119	37.8
572.47211	4.6
589.48138	12.8
590.49048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01855	1.5
55.05504	36.3
57.03429	2.2
57.07069	17.8
59.04995	7.9
60.04496	0.7
61.02908	1.1
67.05491	7.1
68.99789	0.9
69.03419	8.8
69.07059	66.3
69.66251	4.4
70.06583	8.7
70.07401	0.7
71.04996	3.7
71.08632	3.2
72.08118	0.8
73.02898	2.2
73.06548	1.9
79.05478	1.5
81.03400	9.3
81.06570	0.9
81.07047	12.5
83.04958	0.9
83.08607	100.0
84.04480	1.2
84.08128	1.2
84.08923	0.8
85.02894	20.5
85.06525	1.6
86.09689	3.8
87.00822	7.2
87.04456	7.8
89.06020	76.3
91.05488	1.2
93.07047	0.8
95.04951	0.7
95.08593	9.8
97.02874	5.2
97.06539	0.7
97.10159	26.9
99.04436	3.6
99.08084	2.6
101.05967	0.6
102.05481	0.6
103.03905	0.7
103.07558	2.3
105.01868	4.9
105.07018	0.8
107.07052	2.7
107.08585	1.0
109.02861	7.0
109.10136	6.2
111.04443	1.2
111.11687	0.7
113.09626	1.2
117.01864	0.7
117.09109	1.2
120.08113	1.3
122.09590	0.5
123.11707	4.0
125.13251	8.6
127.03899	9.2
129.01814	1.1
129.10243	0.6
130.08589	1.4
131.03334	0.6
131.07028	2.8
133.08586	53.1
135.52246	0.6
137.09628	0.8
137.13268	1.6
139.14809	2.2
143.14249	1.3
145.04922	3.3
147.02843	0.5
147.10135	0.6
151.14799	0.6
155.14304	0.7
157.15891	1.6
158.21553	0.6
159.02875	3.6
165.09132	2.3
165.16391	2.6
167.07033	0.8
175.09653	1.7
175.13351	0.6
177.11197	32.7
179.17924	1.1
183.17357	2.6
189.03931	0.7
191.12759	1.5
195.12369	1.3
197.19028	2.9
201.18454	5.6
213.04099	0.7
221.13809	6.9
231.05043	1.8
237.13330	0.9
237.16920	1.0
238.18121	1.0
239.14848	10.9
241.21628	5.2
259.22626	1.0
265.16428	4.3
265.62042	0.6
279.17944	3.1
283.17474	38.4
285.24252	1.5
289.09167	1.3
297.19058	8.1
323.20572	7.9
327.20059	1.3
337.22137	1.4
341.21661	9.9
355.23169	1.6
387.61288	0.6
390.42081	0.6
391.30627	1.0
435.32620	0.6
460.34808	0.6
479.35745	80.6
480.36157	2.4
497.36777	17.3
762.44562	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3877
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
56.05029	1.5
60.04507	0.5
68.05013	0.4
70.06581	87.4
71.06906	0.7
71.68777	0.6
72.08123	1.1
74.06068	3.5
75.00414	0.3
83.06086	0.7
84.04491	4.2
84.08130	17.4
85.02887	1.1
86.09689	1.5
91.05471	0.9
98.06039	0.5
101.07119	1.3
102.05519	1.8
110.06036	0.3
110.07166	0.5
111.09196	0.4
112.07587	100.0
113.07898	0.5
115.08656	0.3
119.04932	0.3
120.08076	0.8
122.06027	0.4
127.08701	0.4
129.10223	8.8
130.04973	0.7
133.69417	0.3
136.07585	0.8
139.08659	1.2
140.07043	71.2
141.06464	0.4
141.07408	0.9
142.08618	0.7
143.11722	0.4
144.10178	11.3
150.05463	0.7
150.09172	0.3
150.40186	0.4
157.09703	20.9
158.08144	0.7
159.07727	0.3
161.12830	6.1
161.14059	0.2
163.03940	1.0
167.08157	0.9
167.11769	1.0
168.06544	0.6
169.09656	0.4
170.04497	0.4
170.11786	0.4
171.11238	0.3
185.09219	1.4
185.12793	0.3
190.95868	0.3
194.09277	0.5
195.07718	0.6
195.11302	0.5
201.12315	0.5
203.10226	2.0
212.10379	0.6
212.13943	0.7
213.08716	1.3
217.08266	0.3
220.12334	0.3
224.07518	0.3
226.11916	0.5
226.35628	0.3
227.14063	0.6
230.14937	0.8
231.09718	1.6
234.99054	0.4
240.13359	3.6
244.16586	1.2
250.11787	0.5
251.10225	0.7
262.17599	7.0
268.12869	9.6
270.10931	0.3
287.05542	0.6
306.14340	0.5
312.63339	0.3
314.06696	0.3
323.17026	0.7
325.15155	0.9
332.14523	0.6
334.13940	1.0
351.16589	7.2
352.14874	0.5
369.17642	2.7
373.20801	1.7
391.21442	0.7
451.10202	0.6
480.21002	4.1
492.26364	1.5
498.21838	1.3
599.26971	1.6
668.25299	0.4
717.90656	0.4
741.36719	1.6
759.38715	68.7
760.38867	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	757.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01860	3.8
55.05499	22.5
57.03432	5.2
57.07077	12.4
60.04509	2.2
61.02915	3.5
67.05495	30.3
69.03421	23.3
69.06715	4.0
69.07063	52.3
70.06583	38.5
71.04986	10.6
71.06912	2.6
71.08614	6.1
72.08153	9.1
73.02930	2.9
79.05486	9.4
81.03409	16.5
81.07047	93.2
83.04976	5.3
83.08609	32.1
84.04493	4.1
84.08139	10.8
85.02897	61.6
85.06527	15.7
85.10159	2.2
86.03223	2.3
86.09700	21.3
87.00808	20.2
87.10040	2.0
91.05444	12.4
93.07043	19.3
95.04966	6.6
95.08595	100.0
96.08106	2.6
96.24591	1.7
97.02876	19.4
97.06519	2.8
97.10169	18.7
98.06030	1.8
99.04438	8.8
99.08064	11.5
100.02199	8.1
101.07131	2.2
105.01847	28.6
105.07020	11.2
107.04945	4.6
107.08580	24.7
109.02862	17.4
109.06526	4.9
109.10139	65.2
110.07136	6.1
111.04423	3.6
111.08084	4.1
111.11697	16.1
117.07009	4.0
119.08566	10.1
120.08101	9.7
121.06498	3.5
121.10126	14.5
123.04429	2.9
123.11706	33.4
125.13271	6.9
127.03905	37.5
127.07461	2.6
127.11186	8.4
129.01857	2.5
129.05492	3.7
129.10237	7.8
129.12756	2.3
131.08592	4.0
133.10115	5.9
135.08066	3.8
135.11649	12.7
136.07552	5.9
137.05995	2.8
137.13255	17.2
138.09200	2.2
139.11230	2.1
143.08456	2.9
143.14218	3.9
145.04964	10.2
145.10117	5.8
146.02698	5.9
147.04398	3.9
147.11681	4.1
149.09602	4.1
149.13243	20.3
151.07463	3.3
151.11165	2.3
151.14804	25.6
153.01828	2.7
153.05426	2.6
153.12654	3.5
155.14253	2.8
157.10057	4.9
157.15805	2.6
159.02901	9.3
159.09129	2.3
159.11641	4.9
163.07597	2.2
163.14825	13.1
165.07771	2.0
165.09140	6.9
165.12828	2.1
165.16341	10.4
167.07033	3.4
169.15831	4.5
171.11713	2.5
173.09465	2.0
175.14931	2.2
177.16397	6.9
179.10623	2.0
179.17947	7.4
183.17545	3.9
187.14769	2.0
191.17932	4.5
193.19574	3.2
197.19180	2.5
199.20564	2.1
201.12570	2.2
205.19492	3.6
211.14369	2.5
213.03860	2.4
219.20938	2.8
220.16983	6.3
222.18597	4.7
223.18669	2.4
230.09006	2.5
231.04982	11.9
237.22081	3.7
238.17992	8.5
239.18576	2.8
240.19557	12.6
248.99655	2.0
249.06036	4.0
249.25620	2.2
256.19095	2.2
257.12726	2.2
263.27545	2.4
267.54642	1.9
275.27277	14.2
281.28317	9.9
293.28360	41.4
303.04980	48.5
305.28305	2.3
311.29419	37.6
329.30484	7.7
383.29517	4.0
401.30527	4.8
419.31415	3.9
457.76733	1.9
473.32687	3.8
479.33594	3.5
487.30457	3.9
489.36740	2.5
505.31250	7.3
510.30676	3.2
523.32709	3.5
541.33826	5.2
641.41187	2.8
757.41248	8.0
758.39392	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	757.2176
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03921	0.2
55.01865	0.2
55.05506	0.4
56.05036	0.1
57.03430	1.7
59.04990	0.2
61.02905	0.4
61.68452	0.1
65.03936	0.1
67.01878	0.1
67.05505	0.2
68.99800	0.3
69.03421	1.6
70.06582	1.8
70.24724	0.1
71.01336	0.2
71.04983	10.6
71.06943	0.1
72.08143	0.5
72.77274	0.1
73.02901	1.0
75.04456	0.6
77.38189	0.1
81.03407	0.6
83.04972	2.5
84.04494	0.2
84.08133	0.4
85.02892	15.8
86.09697	0.6
87.04458	0.4
91.03937	0.1
93.03381	0.1
95.04934	0.4
97.02879	1.2
97.06510	0.1
97.36671	0.1
98.06046	0.1
98.21500	0.2
99.04436	0.7
101.05981	0.1
102.05530	0.1
103.03922	0.1
107.04920	0.1
109.02840	0.6
109.06496	0.1
110.07137	0.2
111.00810	0.6
111.04427	1.6
113.05996	0.3
117.05456	0.5
120.08121	0.1
121.02850	0.6
123.04404	0.2
125.05992	0.1
126.05507	0.1
126.76617	0.1
127.03899	0.9
129.05463	4.9
129.10214	0.4
135.04414	0.2
136.07585	0.2
137.02327	1.7
139.03915	0.1
141.10199	0.1
145.04955	0.6
145.06401	0.1
147.06503	1.9
147.07680	0.1
149.02333	0.3
153.01793	1.8
153.05406	0.6
156.46362	0.1
159.06496	0.2
161.05997	0.2
163.03841	0.2
163.06000	0.6
165.01816	1.6
165.07571	0.1
166.02638	0.2
167.03296	0.1
169.13492	0.1
171.06570	0.2
173.05995	0.2
177.05472	0.1
183.02924	0.6
183.04352	0.2
187.03954	0.1
191.06932	0.1
195.02867	0.2
201.05450	0.9
201.07480	0.2
205.04964	0.2
213.05656	0.1
213.07619	0.2
219.06522	0.2
225.92520	0.1
229.04930	2.7
238.36383	0.1
239.03516	0.2
239.09084	0.8
247.05992	0.5
257.04425	2.0
257.10172	0.3
274.04672	0.5
275.05374	0.2
275.11157	0.5
285.03870	1.0
287.05566	0.1
293.11899	0.1
303.04944	100.0
304.05270	1.9
315.04813	0.2
324.89554	0.1
327.04666	0.2
345.05896	0.5
356.90060	0.1
369.06082	0.2
386.50806	0.1
413.08466	0.3
431.09778	0.1
449.10779	1.0
465.10251	2.7
611.16144	0.1
756.42938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2164
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03926	0.3
55.01875	0.2
55.05499	0.4
57.03425	1.9
59.04994	0.2
61.02908	0.4
65.03930	0.2
67.05499	0.1
68.99780	0.3
69.03415	1.4
71.01331	0.2
71.04977	11.5
73.02899	0.9
73.06519	0.1
75.04454	0.7
79.32446	0.1
81.03407	0.5
81.64811	0.1
83.04961	2.4
85.02888	16.2
87.04459	0.5
91.03938	0.2
93.03420	0.1
95.04945	0.6
97.02869	1.0
97.06496	0.1
99.04450	0.7
101.06016	0.1
109.02843	0.5
111.00761	0.6
111.04421	2.0
113.05992	0.2
114.48579	0.1
117.05489	0.5
121.02834	0.4
123.04430	0.2
127.03874	0.9
129.05453	4.7
130.63005	0.1
135.04398	0.2
137.02309	2.2
139.03835	0.1
145.04898	0.5
147.06485	1.8
149.02325	0.2
153.00601	0.1
153.01793	1.7
153.05452	0.5
157.05006	0.1
159.06537	0.1
163.03874	0.3
163.05972	0.6
165.01801	1.4
166.02550	0.2
171.06508	0.2
173.05983	0.1
179.35666	0.1
183.02876	0.5
183.04405	0.2
187.03831	0.1
195.02835	0.1
201.05450	0.7
201.07483	0.3
219.06589	0.1
229.04912	2.6
229.27638	0.1
239.09071	0.9
247.06032	0.5
255.08524	0.1
257.04385	2.0
257.10168	0.4
261.03882	0.1
262.66016	0.1
274.04663	0.5
275.05472	0.2
275.11334	0.5
285.03870	0.9
286.04419	0.1
293.12219	0.2
303.04919	100.0
304.05289	1.5
315.04785	0.3
327.05103	0.1
345.05923	0.6
369.06305	0.2
413.08563	0.2
431.09573	0.2
449.10696	1.0
465.10193	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	748.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
54.67504	0.5
55.01857	1.8
55.05503	14.9
56.05024	0.7
57.03418	2.0
57.07066	13.3
59.04987	2.8
61.02904	0.9
67.05495	6.4
68.99793	0.5
69.03419	7.0
69.07056	100.0
69.50142	3.9
70.06573	6.7
70.07385	1.6
71.04978	4.5
71.06903	0.6
71.08626	0.9
72.08138	1.8
73.02911	1.3
73.06538	1.7
74.09689	0.4
79.05486	1.3
81.03405	6.4
81.07047	6.6
83.04982	1.1
83.08606	42.0
84.04493	1.6
84.08134	2.0
85.02892	12.5
85.06508	2.1
86.09698	5.6
87.00819	5.1
87.04462	5.7
89.06015	71.8
91.05469	1.8
93.07042	1.4
94.06554	0.9
95.04967	0.9
95.08588	7.1
96.08084	0.5
97.02872	4.2
97.06495	1.0
97.10144	2.3
98.20782	1.0
99.04432	2.5
99.08083	2.8
103.07572	1.2
105.01857	3.4
105.07018	0.9
106.06552	0.8
107.07042	3.0
107.08570	1.1
108.08103	3.1
109.02860	5.2
109.06503	0.5
109.10130	5.3
110.07146	0.9
111.04414	0.5
111.11764	0.5
113.09650	0.4
117.01863	0.6
117.09119	0.8
119.08591	1.1
120.08098	3.0
121.10121	0.9
122.06002	0.8
122.09658	2.4
123.08082	0.5
123.11708	3.1
125.13251	11.5
127.03905	7.8
129.01797	0.9
129.10231	1.1
130.04987	0.4
130.08586	2.2
131.07007	2.2
131.08549	0.6
133.08582	42.2
134.05977	1.1
134.08936	0.5
135.11650	0.6
136.07564	5.1
137.05939	0.7
138.05508	0.5
141.12711	1.1
143.14310	2.7
144.04442	1.1
145.04927	1.2
145.10168	0.7
146.05998	3.4
146.11627	0.4
147.10194	0.8
148.07532	3.2
151.09596	0.5
151.14865	0.9
152.07092	0.6
153.12752	0.6
155.14278	0.9
159.01605	0.5
159.02803	2.1
160.09607	0.7
161.09628	0.7
161.11682	0.5
162.05527	1.5
164.07039	0.7
165.16415	1.0
166.08595	3.8
167.06993	0.6
169.15889	0.9
172.03905	6.7
173.13228	0.5
174.05560	0.6
175.09653	1.5
176.06989	0.5
177.11197	33.3
183.17436	3.1
190.05005	1.3
193.08635	0.5
195.12268	1.2
204.06538	8.3
205.06995	0.5
211.12372	0.5
219.12166	0.8
220.16939	0.5
221.13826	4.3
223.12299	0.5
225.10248	0.7
225.13878	1.0
227.11841	0.9
227.19997	2.5
229.13367	0.5
231.04979	1.5
237.10345	0.8
237.13239	0.8
237.16960	1.1
238.11038	0.5
238.17984	1.8
239.11848	1.9
239.14809	2.7
239.18613	0.7
240.19553	0.9
241.13402	1.0
249.10130	0.8
250.10954	0.6
251.11818	1.3
253.13358	1.2
263.11688	1.1
265.00119	0.4
265.09583	2.2
265.13556	0.7
265.16275	4.0
266.10214	0.9
267.11182	0.5
269.12869	0.8
271.14487	1.1
271.22604	1.6
277.09763	1.1
279.11273	1.5
281.12723	1.0
283.10855	1.3
283.17471	38.5
284.17926	0.7
289.09085	0.6
291.11166	0.9
293.12967	1.1
297.12466	1.1
307.10648	1.9
309.12256	1.3
319.10660	0.9
321.12512	0.5
323.20624	5.6
325.11844	1.2
327.20041	4.6
337.11752	2.0
339.13376	2.1
341.21652	10.7
372.16937	0.6
373.13831	0.6
377.29086	0.8
400.16415	0.7
402.21112	0.7
407.30075	0.6
411.28500	0.6
427.15244	0.7
429.30142	1.4
465.34164	71.8
466.34479	2.9
483.35211	13.0
484.35532	0.8
486.16458	1.7
595.25378	14.0
596.25720	2.1
627.28033	23.9
628.28204	3.1
698.26288	1.1
748.41956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.0
55.05500	5.3
56.05021	1.0
57.07067	100.0
58.06588	2.6
59.04992	21.1
67.05494	7.5
69.07045	4.7
70.06583	8.4
70.11900	4.5
71.08621	72.7
72.08140	2.7
73.06545	3.6
76.41624	0.8
79.05476	2.6
81.07045	10.2
82.07370	1.0
82.40815	0.8
83.08604	3.1
84.08130	1.5
84.67715	0.8
85.10173	59.9
87.04459	11.3
89.06021	66.8
91.05476	8.3
92.05804	1.2
93.07024	2.6
93.73637	0.8
95.08593	7.9
96.08092	4.5
96.08931	1.3
97.10152	3.6
98.09660	2.6
99.11720	12.3
100.07584	0.9
101.09632	1.9
103.07523	1.4
105.07003	1.4
107.07062	2.4
107.08561	3.3
108.80930	0.9
109.10136	3.2
110.10469	1.1
113.13265	2.7
117.09114	7.2
119.08588	1.9
121.10121	1.8
123.08009	1.0
130.08606	3.4
131.06992	3.9
133.08588	57.3
155.17906	10.2
173.11684	1.1
175.09654	3.2
177.11189	25.4
187.14723	0.9
194.19025	2.3
195.19414	0.9
213.22096	18.6
219.12248	2.0
221.13817	4.2
222.18497	30.2
223.18864	14.7
238.17929	1.4
239.14923	2.0
240.19557	71.4
241.19890	28.1
242.20313	1.2
254.24759	2.5
266.17410	3.8
267.17883	2.4
271.26300	9.0
283.17477	3.0
327.19968	2.1
332.82120	0.9
371.22821	1.5
373.24759	4.4
374.25089	3.6
397.24146	1.4
415.25540	1.3
441.26648	1.2
459.27936	14.4
461.37183	1.0
462.37518	1.1
479.38458	19.5
480.38721	32.7
499.30975	1.4
505.36578	4.5
506.36725	8.2
517.32269	3.3
526.89478	1.1
532.34442	1.7
547.33032	1.2
557.34546	1.1
612.43909	8.5
613.43945	43.1
638.41656	1.7
639.41821	3.0
688.84509	1.0
730.97131	1.1
746.56885	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	746.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01857	1.4
55.05502	40.9
57.03431	3.2
57.07067	19.9
59.04704	1.5
59.04991	26.7
60.04516	0.8
61.02915	1.6
67.05486	6.3
68.99778	1.2
69.03418	13.1
69.07057	54.6
70.06576	5.0
71.04980	5.0
71.08622	5.9
72.08138	1.8
73.02901	1.5
73.06549	0.7
79.05473	1.4
81.03407	11.9
81.07040	14.0
82.88611	0.6
83.04971	2.1
83.08605	100.0
84.04484	0.9
84.08123	1.1
84.08914	0.7
85.02891	22.3
85.06527	2.3
85.10162	1.0
86.09711	2.7
87.00812	8.1
87.04449	2.7
89.06017	24.3
91.05474	1.7
93.07030	1.7
95.04964	2.5
95.08595	12.5
95.09220	0.6
97.02879	7.7
97.06544	1.5
97.10152	59.9
98.10516	1.1
99.04445	4.0
99.05476	0.7
99.08083	2.6
101.09653	1.9
103.03959	0.9
103.07565	4.6
105.01856	7.0
105.07051	0.9
105.98140	0.6
107.07061	2.1
107.08589	0.7
109.02865	11.6
109.06486	0.6
109.10142	7.3
111.04417	3.7
111.11702	9.4
115.07581	0.6
117.01829	1.1
117.07001	0.6
117.09113	6.4
119.08553	0.9
120.08086	0.9
121.06469	0.9
121.10143	0.9
123.11678	6.0
125.05992	1.7
125.13257	5.2
127.03899	14.8
127.04798	1.1
129.01845	1.0
130.08659	0.6
131.07022	1.3
133.08583	14.3
135.10155	3.4
137.05948	0.8
137.13237	5.0
139.14812	3.7
143.14345	1.1
145.04950	3.9
147.10143	2.6
148.87787	0.7
149.09604	0.8
151.09619	3.0
151.14812	1.6
153.16385	1.1
155.14279	1.0
157.15880	2.1
159.02896	2.9
161.11749	1.5
165.16379	1.1
167.07040	1.1
169.13504	0.6
171.17451	1.0
175.13373	1.0
177.11185	7.2
179.17941	3.8
183.17422	0.7
185.08113	1.2
189.03957	1.0
189.11174	1.4
191.12743	6.5
193.14305	0.7
193.19426	1.4
195.12291	6.6
197.18913	3.4
198.03557	0.8
201.18474	1.4
205.14354	0.9
209.13744	5.7
211.20593	2.6
213.03987	2.0
215.20044	11.5
223.15424	0.8
229.21584	8.2
231.04843	3.0
235.15411	4.4
241.21501	1.1
249.05927	1.5
249.16966	4.2
253.16470	6.0
255.23174	7.5
259.22571	4.1
267.18005	3.0
269.24689	4.5
273.24219	10.6
287.25803	2.2
289.09152	4.3
289.13846	0.7
293.19513	1.6
307.21146	1.4
311.20703	1.9
313.27249	1.2
317.26917	2.4
325.22375	1.3
347.27759	0.7
405.31735	0.7
427.28253	1.4
445.29208	0.7
463.36240	34.5
464.36798	1.2
481.37323	22.2
482.38177	0.8
529.45117	0.6
588.95905	0.6
746.44824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77666	0.4
55.05490	0.5
55.44617	0.4
56.05014	0.9
57.03423	2.1
58.06570	0.4
60.04498	0.6
61.02913	0.5
63.88981	0.4
67.01833	0.5
68.04993	0.6
68.99761	2.0
69.03400	1.2
69.81580	2.7
70.06579	5.0
71.01337	0.5
71.04983	13.0
71.06898	0.4
72.08144	1.7
73.02886	0.6
74.06060	0.8
74.09740	0.4
75.04444	1.3
77.27563	0.4
79.05470	0.4
80.97984	0.3
81.03383	1.2
81.07043	0.5
83.04957	1.4
84.04468	1.6
84.08129	2.2
84.97504	0.4
85.02895	19.0
86.06039	0.6
86.09705	1.9
86.55471	0.4
88.03960	1.1
91.05433	0.4
94.06554	0.8
95.04946	0.7
95.68532	0.3
96.04472	0.6
96.82768	0.4
97.02847	1.3
99.04388	0.5
102.05508	0.5
107.04925	0.8
109.02845	0.8
109.06496	1.3
110.05991	1.1
110.07125	0.7
110.98987	1.4
111.00771	1.2
111.04424	1.0
112.07594	0.9
116.07078	0.5
120.08080	0.5
122.02682	0.5
122.05995	1.2
123.00764	0.8
124.07566	0.8
126.10281	0.3
126.98517	0.4
127.03899	27.5
127.52738	0.3
129.05473	3.7
129.10233	1.8
130.05003	0.6
134.05997	1.3
136.07567	4.7
137.02310	0.4
137.05902	0.4
137.08372	0.5
138.98460	2.4
140.07022	0.6
147.06476	0.8
150.05490	0.4
152.07060	1.0
153.01804	13.6
154.08560	0.7
163.03882	0.7
165.00119	0.6
166.97975	4.8
168.99567	0.7
170.97430	7.3
179.03319	0.5
180.06502	2.1
180.99591	0.4
188.07144	0.4
191.03386	1.3
192.99518	1.0
193.70776	0.4
194.97440	3.8
195.01158	0.7
195.02849	1.0
196.99084	1.1
208.98987	1.6
210.01547	0.4
211.00575	0.5
212.98558	3.1
219.02888	0.8
220.98993	2.5
221.04321	0.4
222.96936	10.0
223.00278	1.8
224.98492	2.6
231.02710	0.5
233.04460	0.5
235.00531	0.6
236.98502	3.8
240.97986	62.9
241.98161	0.8
247.02364	1.1
251.00151	1.0
254.99509	0.5
259.02417	0.4
260.03070	1.4
261.03918	2.7
266.99554	1.1
275.00092	0.7
278.99539	1.1
287.00067	1.7
289.03436	3.8
293.01093	2.2
300.02637	0.6
301.03442	0.6
302.99713	1.2
314.99515	1.8
316.02087	3.8
317.02893	11.7
318.03656	1.5
319.04370	1.4
321.00592	10.8
329.02567	0.4
330.98941	0.6
333.00613	4.3
345.00653	1.9
347.02155	1.6
349.00076	45.3
350.00433	0.9
351.01660	10.2
354.14111	0.4
357.00742	0.6
363.01697	0.9
375.01550	6.8
392.03986	0.4
419.00769	0.5
421.02289	3.1
438.04852	100.0
439.05511	2.3
468.07910	0.5
480.06018	1.6
484.06845	0.7
486.08386	5.4
504.09119	0.7
516.35785	0.5
520.09222	0.5
528.05756	0.5
530.07312	3.3
546.07141	0.7
548.08527	0.9
564.08124	0.7
582.09131	0.9
600.10052	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.7
56.05018	0.9
57.03413	0.6
57.07057	1.1
58.06585	1.8
58.44569	0.5
59.04993	0.8
67.05491	6.3
69.07043	2.3
70.06580	7.8
71.08611	1.5
71.76846	0.8
72.08132	1.8
79.05482	2.6
79.50661	0.7
81.07035	8.0
82.06594	0.9
83.08595	1.4
84.04531	0.8
84.08117	1.7
85.10168	0.9
87.04477	0.6
89.06010	1.0
91.05471	7.7
93.07014	2.5
95.08125	0.6
95.08595	7.1
96.08121	3.0
97.06537	0.7
98.09677	2.7
105.06988	1.1
107.08569	2.1
109.10139	2.6
119.08554	1.3
121.10162	1.4
123.11661	1.2
131.08478	0.7
133.10114	0.7
135.58940	0.7
194.15385	0.7
194.18996	1.8
212.16455	1.0
221.95502	0.6
222.18504	35.0
238.17825	0.9
240.19543	100.0
241.19917	1.4
258.20572	1.0
260.69382	0.6
266.17560	1.4
272.64380	0.6
300.56223	0.6
373.24808	4.1
418.85410	0.7
461.37296	1.5
479.38376	59.8
480.38470	2.0
505.36200	6.7
531.52203	0.7
581.18256	0.8
612.43604	37.9
613.43915	0.9
625.57690	0.8
638.41962	1.2
745.48279	1.1
756.79193	0.6
773.14746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.372
Annotation	Isothalicrine
Peak:m/z	Relative Intensity
56.05033	1.5
58.06593	0.4
61.08059	0.2
66.31112	0.2
68.05000	0.3
70.06581	82.7
71.06909	0.3
71.10559	0.4
71.10909	0.5
72.08143	0.3
74.06073	4.4
83.06094	0.5
84.04495	3.8
84.08131	15.8
85.02918	0.3
100.07608	0.3
101.07140	1.3
101.10787	1.0
102.05498	1.2
112.07588	100.0
113.07922	0.4
115.08751	0.4
122.06048	0.3
124.07584	0.3
129.10216	8.2
130.04944	0.4
130.08621	6.2
134.38986	0.2
136.06146	0.4
139.08638	0.6
140.07043	75.1
141.10243	0.4
147.04419	0.3
147.11276	5.4
150.05553	0.7
157.09705	22.5
158.08124	0.4
163.03961	0.8
166.09740	0.3
167.08183	0.8
167.11850	0.6
168.06599	0.8
170.04446	0.3
184.10762	0.4
185.09209	0.9
187.10747	0.5
194.09258	0.3
195.07695	0.4
195.11363	0.3
203.10202	2.1
212.10448	0.4
212.13951	0.5
213.08725	1.4
213.12372	1.0
226.11867	0.4
230.14868	1.4
231.09683	1.8
234.96753	0.3
240.13399	3.3
248.16028	5.2
250.11884	0.6
251.10382	0.5
252.97920	0.5
262.22141	0.3
268.12878	10.6
306.14481	0.4
318.82855	0.3
323.17242	0.8
324.15591	0.4
325.15009	1.0
332.14450	0.5
332.94479	0.4
333.15378	0.3
334.13882	0.6
339.97702	0.3
341.18198	1.0
351.16626	7.7
351.20883	0.5
359.19205	2.0
369.17545	2.5
377.20389	1.2
378.99142	0.3
407.19666	0.3
478.25073	1.8
480.20795	4.4
498.21887	1.7
581.25934	0.5
599.26776	1.2
727.36035	2.2
728.34717	0.3
745.37128	74.5
746.37384	1.5
769.52325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
54.18286	0.5
55.01864	3.3
55.02095	0.7
55.05501	8.6
56.05026	2.5
57.03419	4.0
57.07062	0.8
58.06594	4.3
61.02905	2.4
65.82362	0.5
67.01870	0.5
67.05167	0.7
67.05495	11.2
68.99792	0.9
69.03417	21.9
69.07056	5.4
69.82527	0.5
70.06579	34.9
71.03413	1.5
71.04980	4.7
71.06896	0.7
72.08143	4.5
73.02905	3.7
79.05478	8.4
81.03400	15.7
81.07044	16.2
82.06571	1.5
83.04946	2.9
83.08604	4.3
84.04491	2.5
84.08123	3.7
85.02887	19.9
85.06528	12.0
86.09686	6.6
87.00806	3.4
87.04447	1.0
87.05598	0.5
91.05463	5.6
93.07022	7.8
93.07545	0.9
94.06557	1.0
95.04948	4.2
95.08592	13.3
96.08121	2.9
97.02871	9.4
97.06524	2.4
97.10168	4.7
98.06050	0.8
98.09687	2.2
99.04449	7.0
99.08072	0.5
100.02127	0.7
100.45337	0.6
100.69875	0.6
101.07130	0.8
102.05537	1.0
103.03945	0.8
105.01855	2.2
105.07013	5.7
107.08578	5.2
108.08111	1.1
109.02860	12.9
109.06496	2.9
109.10137	4.3
110.07140	0.9
110.09659	1.9
111.08067	2.3
113.05981	6.7
116.07024	0.6
117.01863	0.7
117.06968	1.5
119.04927	0.7
119.08550	4.1
120.08067	4.2
121.06480	0.9
121.10085	3.4
122.09634	1.1
123.08073	3.1
123.11678	1.6
125.09628	3.7
127.03891	15.3
129.01778	0.7
129.06967	0.9
129.10176	1.3
131.08554	1.5
133.10115	3.6
135.08014	1.1
135.11693	2.4
136.06157	0.7
136.07567	2.3
137.05957	1.3
137.09624	1.7
138.52461	0.5
139.07446	0.6
143.08534	1.2
145.04909	3.3
145.09103	0.5
145.10043	2.7
146.02715	0.5
146.06111	0.5
147.04459	0.5
147.11664	1.9
149.09605	1.1
150.05403	0.7
151.07536	0.9
153.12723	1.7
157.10020	0.7
159.02927	2.1
159.09151	0.8
159.11739	1.2
161.09532	0.6
161.13214	2.0
163.11125	3.1
165.09068	3.9
165.12657	0.6
166.08488	0.8
169.13486	0.5
171.11633	0.9
173.13185	0.5
175.14841	2.2
179.14388	0.6
181.12227	0.8
183.14925	1.7
185.13196	1.9
187.06044	2.0
189.11194	3.0
189.12682	0.6
191.08229	0.6
191.14322	0.6
194.19019	0.8
197.13177	0.5
199.10725	0.5
203.14308	2.1
205.12393	0.6
211.14630	0.8
213.03886	0.5
220.17052	1.9
221.15324	8.5
221.17268	0.8
222.18489	62.7
223.18808	2.8
236.16541	0.6
238.17976	4.4
238.68083	0.6
239.16367	7.0
239.18596	1.1
240.19540	66.6
241.19925	2.0
256.19150	1.0
257.17383	1.0
258.20688	1.0
273.25613	0.6
283.14157	1.0
303.10077	0.7
418.06091	0.5
425.26965	0.8
461.28888	0.7
475.34976	2.7
477.37085	0.9
478.35391	5.7
479.36261	0.7
496.36264	47.3
497.36298	2.9
634.60858	0.6
700.42535	24.5
701.43048	1.8
744.41510	100.0
745.41852	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	741.2219
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03923	0.2
55.01850	0.1
55.05489	0.4
57.03191	0.1
57.03427	1.6
59.04985	0.1
61.02909	0.2
69.03421	1.1
71.01340	0.2
71.04980	9.2
72.05296	0.1
73.02905	0.7
75.04478	0.7
78.09370	0.1
81.03395	0.3
83.04969	1.8
85.02892	14.2
87.04446	0.3
91.03931	0.2
95.04945	0.3
97.02884	1.1
97.06447	0.1
99.04435	0.5
99.56333	0.1
107.04967	0.1
109.02869	0.5
111.00794	0.2
111.04432	2.0
113.05980	0.2
117.05441	0.6
121.02850	0.9
127.03880	0.9
129.04491	0.3
129.05457	4.7
133.02821	0.2
141.05437	0.1
145.04919	0.7
147.04503	0.2
147.06500	2.0
153.01787	1.0
153.05472	0.6
157.05025	0.1
159.06516	0.2
163.06018	0.9
165.01787	0.6
171.06503	0.3
183.02869	0.4
183.06497	0.1
200.37704	0.1
201.07590	0.2
201.33122	0.1
213.05476	0.4
213.07472	0.1
229.64149	0.1
231.06493	0.3
239.09145	0.9
241.05025	0.2
257.10162	0.4
258.05283	0.4
259.06000	0.3
275.11240	0.5
287.05450	100.0
288.05780	3.8
293.12137	0.1
299.05383	0.3
329.06577	0.6
353.06387	0.2
397.09186	0.5
415.10187	0.1
431.09476	0.1
433.11038	0.5
449.10715	2.6
450.11392	0.1
455.45432	0.1
562.49292	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	741.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05496	1.3
56.05027	3.5
57.03419	0.6
60.04515	11.0
60.33380	0.4
68.05028	0.9
69.03418	0.7
69.07059	0.8
70.06582	100.0
71.06919	0.8
71.68848	0.5
71.69215	0.7
72.08143	18.8
73.07688	0.6
74.06068	24.4
75.04472	0.5
81.03394	0.4
82.06590	0.4
84.04486	3.6
84.08128	14.2
85.02898	1.9
86.06053	12.5
86.09705	3.1
87.05573	0.5
88.03976	0.8
91.05478	0.8
96.04459	0.5
96.08130	0.5
97.02890	0.8
97.07617	0.6
98.06038	11.5
98.06671	0.7
100.07619	0.5
101.10786	0.9
102.05549	0.7
109.02928	0.5
109.45744	0.4
110.07165	1.7
112.08720	0.6
113.07117	0.9
114.04715	0.9
114.05517	17.8
115.08707	1.2
116.07088	2.0
119.04945	0.5
119.08691	0.4
120.08118	1.7
121.02904	0.5
125.07085	6.5
126.05503	10.6
126.06385	0.7
127.03921	0.5
127.05051	0.9
127.08684	1.7
129.10223	11.9
130.05008	0.6
130.08621	10.1
136.07558	2.5
141.06554	3.9
143.08150	4.9
147.04405	1.8
147.11259	15.0
153.06549	4.2
153.10190	0.6
155.08160	2.0
161.09265	1.7
165.06711	0.5
167.11784	3.3
169.13341	20.7
171.07620	3.5
171.11256	1.4
173.09152	0.6
181.09775	1.0
183.07629	8.6
195.11247	5.4
197.12819	6.7
199.10788	0.8
201.08711	1.9
214.11932	0.5
215.13910	4.7
222.12305	2.4
228.17058	1.1
238.11925	1.3
238.18057	0.9
240.09764	2.4
246.18153	5.2
248.10278	0.9
250.12334	0.5
256.12976	1.9
256.16568	0.9
256.18994	0.5
258.10849	0.7
266.11313	7.0
266.18674	1.7
276.33655	0.4
284.12366	6.4
287.05576	1.7
294.18103	5.3
302.13507	0.8
312.19165	5.4
325.22281	0.8
335.17026	0.6
343.23337	9.1
381.17761	1.7
400.23529	0.9
422.27597	1.1
440.28662	23.7
541.33331	1.2
628.36700	0.9
697.38501	0.7
703.62122	0.5
705.39667	1.4
723.40649	0.9
741.41296	83.3
742.32037	0.7
742.41394	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	739.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	1.2
55.01836	1.3
55.05499	3.3
56.05001	1.2
58.06554	2.4
59.04960	0.8
63.78494	0.6
67.05178	0.6
67.05498	5.5
69.03413	5.8
69.07068	4.0
70.06584	18.8
71.04949	0.8
72.08120	1.5
73.02881	1.2
79.05482	3.3
81.03417	4.8
81.06593	0.7
81.07043	11.2
82.06570	0.9
83.04958	1.0
83.08589	1.7
84.04440	1.1
84.08097	2.4
85.02898	5.1
86.09656	3.1
87.00808	1.1
89.05979	1.2
91.05441	1.9
93.07014	4.5
94.06508	0.7
95.04929	1.4
95.08598	8.4
96.08091	1.5
97.02840	3.1
97.06499	0.7
97.10166	0.9
98.09698	1.4
98.62184	0.6
99.04392	2.1
105.01791	0.8
105.06979	2.8
107.08588	4.7
108.04469	4.8
109.02849	3.9
109.06483	1.6
109.10162	4.6
119.08527	2.6
120.08064	1.7
121.06531	0.7
121.10077	2.9
123.08028	1.2
123.11647	2.0
125.09641	0.9
126.05424	0.9
127.03896	3.6
131.08533	1.3
133.10089	1.1
135.08049	1.4
135.11714	1.3
136.07471	0.8
137.09575	1.2
137.13199	0.7
145.04932	0.9
145.10086	1.8
147.11633	1.2
149.09622	1.0
149.13298	0.8
151.11166	1.1
157.10062	0.9
161.13214	0.8
165.09106	3.6
167.07039	0.7
187.06001	0.8
187.14841	0.8
189.12610	0.8
191.10561	0.7
193.04936	0.7
197.13042	0.7
203.10634	0.8
205.12172	1.0
222.18507	26.2
223.18863	0.8
238.18054	1.4
240.19557	100.0
241.19963	2.5
257.46527	0.8
258.20648	1.6
369.79224	0.7
432.19366	1.0
455.31613	2.8
473.32867	2.1
485.49060	0.8
488.24911	0.9
491.34769	33.4
492.35382	1.3
653.40015	2.7
695.41187	9.7
739.39966	40.2
740.40485	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	732.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49187	1.0
52.22061	1.0
53.00295	1.1
55.05496	2.5
57.07066	97.3
59.04991	32.3
59.05291	1.8
67.05496	3.3
69.07059	3.4
71.08621	100.0
73.06526	3.4
79.05482	2.6
81.07034	3.8
83.08601	3.1
85.10170	92.3
87.04454	15.8
89.06017	85.3
91.05465	1.4
93.07034	3.6
95.08583	3.5
97.10135	1.6
99.11716	10.8
101.05972	1.3
101.09622	2.2
103.07590	2.1
105.07047	1.2
107.07059	4.3
107.08598	1.4
109.10117	1.1
113.13213	1.2
117.09116	7.5
123.11730	1.3
130.08633	4.7
131.07043	4.6
133.08583	75.8
135.11703	1.2
141.16357	10.1
161.11755	1.1
175.09647	5.3
177.11192	32.8
184.07364	1.4
188.49568	1.1
199.20561	26.6
221.13792	5.5
239.14937	2.7
240.23148	2.9
243.21225	1.0
257.24701	13.1
261.22064	4.4
265.16412	1.5
283.17468	3.4
309.18915	1.4
327.20074	2.0
331.13654	1.2
333.15045	8.7
334.15283	2.0
350.38278	1.2
360.84900	1.3
366.73682	1.2
371.22824	1.7
407.18588	7.6
415.25269	2.6
441.26895	1.4
459.27969	17.6
499.30957	3.6
567.78552	1.4
633.06268	1.1
715.52075	1.7
732.54474	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	732.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.2
55.05494	1.6
57.07069	76.7
58.07412	0.8
58.91232	0.8
59.04992	14.8
67.05479	0.9
67.54247	0.7
69.07055	2.0
71.08622	56.0
71.76653	1.0
72.08945	0.8
73.02905	1.4
73.06546	5.2
81.07048	1.2
83.08629	1.2
85.09636	1.1
85.10172	44.4
87.04459	16.7
89.06021	100.0
90.06361	1.5
91.25287	0.7
97.10128	1.8
99.11739	5.6
103.07580	5.3
107.07063	4.5
113.13274	1.5
117.09109	4.8
119.95994	0.6
129.09082	0.8
130.08615	5.0
130.81673	0.6
131.07016	6.7
133.08588	76.0
155.17941	4.5
161.11693	2.1
175.09641	5.5
177.11205	34.1
212.58958	0.8
213.22069	4.5
213.67197	0.7
219.12357	1.6
221.13840	6.1
223.15515	1.2
238.18140	1.2
239.14888	2.7
257.24701	6.7
265.16443	1.4
283.17392	4.0
309.19159	1.6
327.20111	2.6
348.03635	0.8
353.21771	1.4
371.22714	1.5
397.24365	1.0
415.25516	1.3
431.11859	0.7
459.28357	2.1
485.29300	1.5
503.30661	11.6
503.37625	1.3
543.33722	1.8
589.41766	0.8
715.51965	1.8
732.54718	9.2
733.55902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01851	1.9
55.05502	41.3
55.65929	0.5
56.05031	0.7
57.03430	3.3
57.07067	18.4
59.04992	15.7
61.02916	1.2
67.05496	6.2
68.99781	0.9
69.03416	9.5
69.07059	53.5
70.06586	2.8
71.01594	1.0
71.04984	4.0
71.08629	6.1
72.08133	0.9
73.02896	1.8
75.91882	0.5
79.05470	0.6
81.03409	10.5
81.03893	0.7
81.07045	13.4
83.04980	1.7
83.08606	100.0
84.04488	0.7
84.08125	0.9
84.08967	1.3
85.02456	0.4
85.02887	18.6
85.06527	2.1
86.09695	1.6
87.00819	6.4
87.04466	2.1
89.06018	39.6
91.05441	0.7
93.07031	1.7
95.04962	1.6
95.08594	10.8
97.02878	6.6
97.10154	45.4
99.04420	3.5
99.08089	2.3
101.06021	1.1
101.09629	1.5
103.03954	0.6
103.07574	2.0
105.01874	6.8
105.06992	0.6
105.77564	0.6
107.07063	1.8
107.08574	1.0
108.08125	0.6
109.02869	8.2
109.10146	7.9
111.04421	1.8
111.11712	5.4
113.05988	0.6
113.09642	0.7
115.03947	0.6
117.01839	0.9
117.09134	3.8
121.06518	0.8
123.11675	5.2
125.05994	0.8
125.13252	5.0
127.03896	12.4
129.01820	1.0
129.10263	0.7
130.08611	0.7
131.07022	1.8
133.08585	27.2
135.10191	0.7
137.05988	1.2
137.13228	3.6
139.07529	0.6
139.11220	0.6
139.14780	4.5
143.14287	0.9
145.04950	3.7
145.10172	0.6
147.02849	0.7
147.10170	2.8
147.11761	0.6
151.09673	1.1
151.14784	0.9
155.14279	1.2
157.15891	1.5
159.02853	3.2
165.16425	1.0
167.07030	0.8
175.09691	1.6
177.11198	16.2
179.17952	3.5
181.19597	0.6
183.17406	0.8
191.12688	2.9
195.12270	12.1
197.18983	3.4
201.18414	2.8
209.13771	1.2
211.20596	1.2
215.20058	9.3
221.13800	3.3
231.04913	2.6
235.15361	6.9
238.18008	1.0
239.14847	11.0
240.19490	0.9
241.21629	0.9
249.06140	0.9
249.16953	1.7
253.16475	8.1
253.60748	0.5
255.23131	8.1
255.40889	0.5
256.15485	0.8
259.22748	2.5
271.17062	0.7
273.24307	1.8
279.18042	2.3
289.09146	3.1
293.19580	3.9
297.19037	3.6
307.21036	0.7
311.20618	2.9
336.38992	0.6
367.54279	0.6
395.28989	0.8
413.30481	1.5
448.31561	0.7
449.34683	57.5
450.35101	2.7
467.35715	21.4
468.36108	1.4
732.54626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68086	3.8
136.40686	0.5
146.99446	0.4
167.03922	0.4
261.02859	0.5
266.38672	0.5
300.03983	0.5
359.58542	0.5
381.07892	100.0
382.08359	2.5
450.37698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91703	0.1
53.03907	0.3
55.01844	0.2
55.05467	0.3
57.03397	0.1
57.07041	0.3
59.04971	0.1
61.02871	0.2
61.71638	0.1
67.05479	0.2
68.96004	0.1
69.03416	1.5
69.07011	0.3
70.06581	1.3
71.04960	0.3
72.08116	0.3
73.02872	0.2
74.03265	0.1
79.05465	0.2
81.03400	1.9
81.06998	0.5
84.04454	0.2
84.08096	0.4
85.02891	3.1
85.06504	0.2
86.09686	0.9
87.00819	0.2
87.04408	0.2
91.05426	0.3
93.06986	0.2
95.04922	0.3
95.08517	0.4
97.02887	1.9
97.06487	0.1
99.04439	2.3
103.03918	1.5
105.06995	0.2
107.08533	0.3
108.50099	0.1
108.86857	0.1
109.02870	1.4
109.06460	0.2
109.10095	0.3
110.07103	0.1
119.08540	0.2
120.08051	0.3
121.06487	0.1
121.10067	0.3
123.08000	0.1
127.03892	3.4
129.10181	0.1
133.10040	0.1
135.07939	0.1
136.07503	0.3
137.05902	0.3
137.09540	0.1
138.06696	0.1
145.04974	0.8
145.10022	0.1
147.11671	0.2
149.02309	0.9
149.09537	0.2
150.02635	0.5
151.07462	0.4
152.31572	0.1
165.05455	2.7
165.09105	0.7
167.03316	0.1
169.04942	0.2
177.05557	0.1
183.02850	0.2
187.05952	0.4
201.05351	0.1
216.07838	0.2
229.05006	0.1
238.17987	0.2
240.19466	0.4
241.04939	0.1
247.05945	0.2
255.06462	0.2
257.04520	0.2
269.07944	0.1
272.06659	0.5
273.07370	0.2
274.04700	0.9
275.05460	0.4
277.14337	0.3
278.14456	0.2
280.15250	0.1
285.04041	0.6
285.07300	0.1
287.05600	0.3
287.08954	0.3
290.07840	0.2
297.04025	0.3
297.07452	0.2
298.04727	0.2
299.05399	0.2
300.06232	1.5
301.06839	0.2
303.04999	1.8
305.10117	0.2
313.03406	2.0
313.06870	0.3
314.04080	0.2
314.07660	0.2
315.04904	0.8
315.08582	0.4
317.06546	0.4
318.07373	0.6
325.03522	0.2
325.07053	0.4
327.05051	0.3
328.05734	9.1
329.06155	0.5
331.04428	4.0
332.05222	0.1
340.05670	0.2
340.09561	0.2
341.02838	0.5
343.04776	0.2
343.08090	3.7
344.08459	0.2
345.05835	0.7
346.06799	8.3
347.07126	0.3
355.04022	0.2
355.08191	0.2
356.05225	1.1
358.10428	0.5
359.03882	0.5
359.07700	0.2
361.09125	12.5
362.09567	0.4
369.05991	0.3
371.07574	4.4
372.03842	0.1
372.07980	0.3
373.05508	0.4
373.09406	0.2
374.06268	1.7
385.09238	0.2
386.09937	3.6
387.10428	0.3
389.08609	52.3
390.08932	2.2
403.10123	0.4
404.10959	11.8
405.11185	0.4
419.13297	100.0
420.13666	3.4
477.31857	0.2
725.21692	0.1
725.37482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78106	0.8
53.03928	1.6
55.05502	9.7
57.03431	4.5
57.07056	2.9
61.02605	1.3
61.02917	27.1
61.81557	0.8
65.03916	1.0
67.05495	63.7
68.05794	0.9
69.03413	3.1
69.07060	10.6
70.06592	0.9
70.93274	1.8
70.93607	1.6
71.04987	1.5
71.08634	1.2
73.02917	8.5
75.04448	1.1
79.05482	28.8
81.07044	69.7
82.07367	1.1
83.04951	1.2
83.08605	8.7
85.02895	31.2
85.06527	1.9
85.10146	0.9
89.81203	1.0
91.03941	22.8
91.05458	13.1
93.07030	41.1
95.04955	1.9
95.08594	65.2
97.02877	14.3
97.06508	2.5
97.10147	6.1
99.08036	1.1
105.07006	11.6
107.08578	28.5
109.10140	37.4
110.10411	1.0
111.08067	1.9
111.11787	1.1
115.03928	1.4
117.07001	5.6
119.08570	10.5
121.10128	32.7
123.11687	19.5
127.03883	9.7
131.08546	16.5
133.10115	13.2
135.10684	1.7
135.11674	24.9
137.09595	1.2
137.13249	7.6
139.11142	1.0
145.04938	13.2
145.10103	10.3
146.05281	0.8
147.11681	6.9
149.13226	16.1
151.11188	1.4
151.14793	3.1
159.11670	8.7
161.13257	4.8
163.05992	24.3
163.14799	10.3
165.12755	1.6
165.16463	2.0
166.92720	0.9
173.13248	8.8
175.14873	5.9
177.16368	4.7
179.14278	2.0
181.15935	1.3
187.14824	7.0
189.16328	4.6
191.17955	4.0
193.15906	1.2
201.16359	3.5
205.19495	1.1
207.17491	1.7
215.17943	0.9
219.17465	2.2
233.18970	2.6
247.20512	1.5
253.01967	1.0
261.21976	1.1
261.25769	3.7
271.24115	16.3
289.25223	100.0
290.25555	4.5
291.26779	3.6
307.26245	1.7
345.27939	1.1
363.28854	23.0
364.29205	1.8
381.29941	71.7
382.30267	3.5
525.33942	1.7
544.13116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66261	0.9
54.99848	0.9
62.82794	0.9
64.78575	0.9
71.36217	2.2
95.22973	1.0
190.49400	0.9
200.07384	1.0
221.00917	0.9
401.17435	1.1
403.18915	1.9
405.21191	1.4
415.18994	3.0
416.19879	2.7
417.20792	1.6
418.10379	1.0
419.22348	1.6
422.57468	1.1
429.20969	2.1
430.21811	4.5
431.18430	3.4
433.23871	2.8
444.18591	2.0
444.23721	2.0
445.19824	4.8
445.24332	3.4
446.20569	1.6
447.21619	2.0
457.19827	1.4
458.20850	1.3
459.16806	0.6
459.21552	35.0
460.22256	10.8
461.23090	4.8
473.23318	47.8
474.23859	4.6
487.24933	21.1
488.25275	3.8
492.25381	1.6
503.24124	1.4
505.22284	3.0
515.24268	20.5
516.24854	2.6
533.25714	1.6
543.23651	1.4
547.27014	6.5
554.36127	1.0
575.26416	100.0
576.26636	8.1
593.27478	1.2
701.33252	7.0
719.34186	15.8
720.34485	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	718.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
57.07067	60.4
59.04706	0.8
59.04993	14.3
64.61241	0.6
69.07051	2.0
69.44872	4.2
69.45299	2.7
71.08621	56.7
72.08959	0.7
73.02908	1.3
73.06540	5.1
78.33440	0.6
81.07042	1.0
82.06567	0.7
83.08598	1.9
85.09411	0.9
85.10171	47.2
87.04457	17.0
89.06017	100.0
90.06377	0.7
91.07571	0.9
95.08613	0.7
97.10149	0.8
98.21458	1.2
99.11713	4.6
100.07595	0.8
103.07557	6.2
107.07070	4.4
108.79873	0.6
116.02997	0.6
117.09103	5.7
129.09038	0.7
130.08597	5.0
131.07033	5.6
133.08585	81.1
134.08905	1.3
141.16367	3.9
146.08070	3.2
155.17963	0.7
161.11737	1.2
175.09647	5.9
177.11197	33.1
194.02344	0.8
199.20570	6.6
210.43416	0.7
219.12308	2.7
221.13791	6.2
221.15430	0.6
237.02020	0.7
239.14915	1.3
243.23122	6.2
265.16415	1.8
283.17496	4.9
287.25787	0.7
309.19098	2.1
311.20273	1.1
327.20142	2.5
353.21796	2.0
371.02777	0.7
371.22592	1.5
415.25381	1.5
459.27887	1.7
503.30527	11.1
514.43182	0.9
543.33838	1.7
701.50128	2.5
718.52997	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	718.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01863	2.0
55.05506	32.5
56.05012	0.6
57.03436	3.1
57.07070	21.5
59.04996	10.4
61.02923	1.5
67.05499	8.3
68.99767	1.0
69.03420	8.4
69.07061	100.0
70.06585	4.2
70.07398	0.6
71.04990	4.6
71.08613	3.2
72.08144	0.7
73.02898	1.2
73.06544	1.2
79.05463	1.0
81.03413	8.6
81.07050	11.8
83.04980	1.1
83.08609	93.3
84.04506	0.7
84.08142	1.2
84.08949	1.1
85.02895	20.2
85.06528	2.3
86.09700	3.0
87.00817	8.2
87.04453	3.0
89.06023	60.0
91.05478	0.6
93.07056	1.4
95.04960	1.0
95.08030	0.9
95.08602	9.6
97.02890	7.5
97.06494	0.5
97.10162	23.5
98.20733	0.9
99.04432	3.3
99.08073	2.8
101.05986	0.6
101.09672	0.7
103.07567	1.9
105.01850	5.2
105.07054	1.1
107.07055	2.9
107.08571	1.0
109.02876	7.1
109.06477	0.9
109.10139	7.9
111.04424	1.1
111.11698	0.9
113.09672	1.2
117.01801	0.8
117.09119	3.0
119.08527	0.6
120.08097	1.9
121.10157	0.5
123.11697	5.6
125.13252	15.0
127.03908	12.3
129.10197	0.9
130.08615	1.3
131.06998	1.6
133.08589	44.2
135.10155	0.5
136.07585	0.6
137.13263	1.0
139.14807	2.3
143.14314	3.1
143.31987	0.5
145.04996	2.5
145.10017	0.6
147.10135	1.8
151.09634	1.2
157.15878	1.0
159.02846	3.0
165.16353	3.4
167.07036	0.5
171.73402	0.5
175.09679	1.9
177.11209	19.0
179.17914	0.8
183.17395	2.4
189.04031	0.6
191.12778	0.7
195.12270	10.2
197.18886	3.0
201.18462	10.2
213.03886	0.8
221.13824	7.2
231.04976	2.5
235.15356	7.5
238.17970	0.9
239.14864	20.3
241.21637	7.9
249.05997	0.6
253.16423	7.0
259.22665	1.3
279.17999	5.0
283.17551	2.1
285.24258	1.0
289.09140	1.5
289.12537	0.5
293.19531	3.3
297.19046	8.1
311.20483	2.8
377.28946	0.9
391.30618	0.6
435.33130	90.0
436.33371	3.3
453.34216	22.4
454.34662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3287
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
70.06587	1.8
71.75159	0.6
74.95521	0.5
79.05495	0.7
82.06573	0.5
82.66645	0.5
86.09695	0.6
95.08621	0.7
108.14661	0.5
120.08167	0.6
133.19276	0.5
149.01242	0.8
151.66049	0.5
186.26543	0.5
220.17039	1.0
238.17938	2.8
239.18402	0.7
240.19658	1.4
245.54437	0.5
321.05072	0.7
408.19760	0.6
426.62589	0.6
455.10754	1.0
573.28638	0.6
714.54242	2.6
715.32922	100.0
716.33051	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	715.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47369	0.2
58.70989	0.1
64.59893	0.2
65.25304	0.2
69.79865	1.2
70.06575	0.3
85.02885	0.2
94.92426	0.3
94.93000	4.1
120.94534	1.0
147.04358	0.2
148.94000	0.6
152.24077	0.2
152.27739	0.1
163.03860	0.2
164.93498	0.5
168.17308	0.2
190.29678	0.2
192.92986	10.8
201.52525	0.2
210.93990	1.2
212.97043	0.2
250.97137	0.4
256.96094	16.3
284.84189	0.2
372.97165	100.0
373.97464	1.6
381.07864	0.3
435.40994	0.2
706.78363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42362	0.1
55.01871	0.2
55.05504	1.5
56.05021	0.8
60.04498	0.6
67.05493	0.3
68.05035	0.4
69.03422	0.6
69.07052	0.6
70.02955	0.6
70.06582	100.0
70.84840	0.3
70.85210	0.3
71.04980	0.4
71.06923	1.2
72.08145	20.8
73.08474	0.2
74.06041	0.2
79.05501	0.2
81.03367	0.2
81.07031	0.3
82.06566	0.2
83.06091	0.2
84.04492	8.7
84.08134	2.3
85.02895	2.3
85.08458	0.1
86.06076	0.2
86.09694	6.8
87.05575	0.2
87.10058	0.2
88.03976	5.4
91.05470	0.4
93.07018	0.2
94.06528	0.3
95.08574	0.2
96.08122	0.3
97.02900	0.3
98.02407	1.9
98.06033	0.5
99.04428	0.2
100.07603	0.7
101.07097	0.3
101.10744	0.1
102.05525	9.8
104.05359	0.2
104.07082	1.6
105.01849	0.2
105.07029	0.3
107.08563	0.5
108.08131	0.3
109.02863	0.2
109.06483	0.2
110.06003	0.4
110.07175	0.9
112.08677	0.3
115.05005	0.7
115.08649	0.2
116.07068	0.4
119.04873	0.2
119.08573	0.2
120.08097	1.3
121.06517	0.2
123.08069	0.2
124.07593	0.2
126.05479	0.4
127.03927	0.3
128.07053	0.1
128.10715	1.2
129.05568	0.1
129.06575	0.2
129.10214	2.0
130.04996	0.5
130.08623	0.4
132.07982	0.2
133.06049	1.1
136.03917	0.7
136.07588	1.0
137.05971	0.7
137.09601	0.9
139.05023	1.1
141.06560	0.2
143.11795	1.8
145.04976	0.2
147.11363	0.3
149.09634	0.2
153.06592	0.6
153.10233	0.2
154.04979	1.6
155.08142	0.4
156.10162	0.9
157.06064	2.5
157.09735	0.4
159.09221	0.2
164.03392	0.2
164.07011	0.3
166.08638	0.2
167.08148	0.6
169.13341	45.6
170.13689	1.2
171.07611	0.5
171.11298	0.5
172.06030	2.5
173.09219	0.2
173.12981	0.2
177.05370	0.2
181.06059	11.5
182.04456	1.0
182.06201	0.3
183.07716	0.4
183.14914	0.6
185.05579	1.1
185.09137	0.8
187.10954	0.1
189.08794	0.1
189.12602	0.2
192.67357	0.2
195.07596	0.3
197.12831	29.5
198.13133	0.9
199.05228	0.3
199.07117	4.8
199.10797	0.3
200.05498	1.2
201.05658	0.2
201.08701	0.4
201.12393	0.3
203.13881	5.6
207.13762	0.3
211.07204	0.2
211.14349	0.2
212.10254	0.1
213.08678	1.0
215.06992	0.2
215.13898	0.2
217.08168	26.8
218.08476	0.8
218.15439	0.2
219.09985	0.2
220.16916	0.6
222.18451	0.1
226.15448	0.4
227.06610	0.2
227.10248	0.4
228.04910	0.3
233.79576	0.2
238.17986	2.7
238.68192	0.4
239.18265	0.2
240.19604	0.4
245.07658	31.8
246.07971	0.8
246.10080	0.1
247.18518	0.7
247.68675	0.3
254.14915	0.3
256.09244	0.4
256.19122	0.2
268.16492	0.7
270.10709	0.3
271.13040	0.3
288.11905	0.2
292.12805	0.2
296.19556	0.2
298.10269	0.4
298.17758	0.3
299.05460	0.3
300.19131	78.3
301.15897	0.2
301.19452	3.5
303.04956	0.8
305.14963	0.5
312.15280	0.3
316.11353	21.6
317.11514	0.7
325.10794	0.4
328.14960	0.4
342.12827	0.6
343.11569	0.4
344.18115	0.9
370.16028	0.2
387.18689	3.0
388.18848	0.3
397.17123	0.2
399.25940	1.2
413.16080	0.4
415.18182	7.5
416.18326	0.4
444.28671	0.2
469.22971	0.3
472.21725	0.2
475.35129	0.4
476.35229	0.2
484.23422	0.3
493.35611	0.2
512.23468	1.2
526.28168	0.2
583.30664	0.2
611.29779	1.0
625.34839	0.3
714.40704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
70.46645	0.7
70.47034	0.5
79.50614	0.2
81.03384	0.3
82.99862	0.8
84.08116	0.3
85.02864	0.4
94.99839	0.5
97.02855	0.6
101.00848	2.0
109.02850	0.5
113.00822	0.8
119.01907	9.3
120.57411	0.2
122.01354	1.5
122.51432	0.4
127.02431	0.5
127.03883	0.3
128.01312	0.4
131.00908	0.5
131.01889	9.2
131.51930	1.0
137.00905	0.4
137.01843	4.3
137.02908	1.8
137.51945	0.7
142.03465	0.3
142.52672	0.3
143.01871	15.5
143.51936	1.7
144.01846	0.3
145.03448	5.8
146.02371	0.6
147.01335	0.9
149.01833	1.0
149.02922	0.5
152.02402	3.1
152.52466	0.9
155.01862	6.5
157.03470	2.8
158.02412	1.3
158.52460	0.5
160.81212	0.2
161.02939	16.9
162.02986	0.3
163.04588	1.3
164.02400	1.0
167.01839	4.4
167.03088	0.4
169.03452	2.0
170.02377	0.5
171.04987	1.7
173.02943	19.9
173.53058	1.8
174.02997	0.8
175.04491	1.4
179.01639	1.6
179.03145	0.6
181.03442	0.3
182.03497	1.4
182.53583	0.5
184.04530	0.7
185.02927	30.0
186.03081	0.7
187.04526	3.9
188.03371	0.4
188.53572	0.5
191.03958	0.9
194.03427	1.4
196.04568	0.5
197.02927	11.3
198.03108	0.5
199.04532	0.5
203.03900	13.2
203.54103	1.3
204.04028	0.7
208.04536	0.9
209.02975	1.2
211.04495	0.3
212.04512	0.8
215.03976	8.1
221.02960	0.4
221.05034	1.0
223.55193	0.4
224.04483	1.6
224.54608	0.3
227.03970	7.8
233.05016	0.5
239.04134	0.9
243.01984	0.5
245.05037	100.0
246.05254	3.2
254.05545	1.6
254.55547	0.4
257.05032	5.8
258.05341	0.4
263.06094	13.7
275.06085	11.1
276.06345	0.4
281.04993	0.4
284.06601	5.6
284.56747	2.0
286.07697	0.9
287.06085	0.7
293.07217	4.5
305.07144	12.5
306.07129	0.4
317.07089	0.4
320.07199	0.3
335.08188	4.1
347.08231	1.1
364.96625	0.7
365.09326	44.6
365.59390	3.4
366.09363	1.6
374.09399	0.4
382.61771	0.3
383.10507	3.2
406.11899	0.7
407.10266	0.6
425.11383	45.0
426.11691	1.7
437.11456	2.7
455.12396	3.7
455.62189	0.3
456.12457	0.3
485.13522	1.7
527.14142	0.3
536.14984	0.3
542.44849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87289	2.6
55.05497	5.2
57.03416	2.7
57.07062	2.1
61.02922	23.7
61.91190	1.8
67.05222	2.1
67.05499	24.7
67.37289	2.0
69.03409	3.6
69.07066	6.5
70.06569	5.8
70.22643	7.2
70.23050	4.1
71.04982	4.0
73.02893	7.8
79.05487	14.2
81.07040	33.0
83.08611	2.9
85.02895	33.4
86.09704	2.5
91.03943	25.3
91.05476	7.5
93.07028	21.8
95.04933	2.7
95.08599	27.5
97.02884	18.8
97.06490	3.4
97.96098	1.8
98.20831	2.7
99.04428	2.6
103.87979	2.0
105.07027	8.0
107.08562	18.1
109.10145	20.8
115.03938	2.7
117.07020	2.8
119.08562	8.2
120.08086	2.0
121.10140	20.1
123.11689	12.0
127.03899	13.5
131.08536	5.8
133.10117	7.2
135.11664	15.3
137.13246	5.5
145.04968	15.9
145.10121	9.9
147.11670	5.6
149.13246	11.8
159.11697	8.2
161.13260	8.2
163.05998	22.6
163.14792	11.5
165.12753	3.2
173.13206	9.2
175.14818	3.2
177.16333	7.7
179.14301	2.9
184.07376	3.2
187.14700	4.0
201.16365	3.3
233.22684	2.8
238.18147	2.9
240.19595	4.8
243.21043	36.8
261.22119	100.0
262.22421	3.2
263.23663	2.6
267.52521	2.4
279.23114	2.7
283.47128	2.1
335.25797	16.6
353.26807	67.5
469.62024	2.2
477.36615	6.9
526.34882	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	707.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63137	0.3
71.67452	0.6
72.03275	0.3
82.99868	0.9
97.02849	0.5
99.02322	0.3
101.00839	2.7
109.02835	0.4
113.00813	0.6
114.29777	0.4
119.01905	9.9
122.01344	1.1
122.51426	0.4
127.02379	1.1
131.01888	7.2
131.51974	0.7
137.01842	3.0
137.02919	1.6
137.51991	0.4
143.01881	13.9
143.51935	0.5
145.02431	0.6
145.03464	6.5
146.02452	0.5
147.01320	0.8
147.10178	0.4
149.01859	0.9
149.02917	0.6
152.02409	2.0
152.52464	0.7
155.01872	6.4
157.03433	3.2
158.02396	1.0
161.02940	20.0
163.04462	1.0
164.02383	1.0
167.01862	4.5
167.03093	0.4
169.03421	2.6
171.04982	1.4
173.02940	19.3
173.53043	0.7
174.03023	0.6
175.04469	1.4
177.02432	0.4
179.01848	1.4
179.03180	0.4
181.03400	0.4
182.03462	1.1
184.04475	0.4
185.02893	32.5
185.04224	3.6
186.03168	0.6
187.04510	3.1
191.04028	0.8
194.03433	1.0
196.04553	0.4
197.02930	13.0
199.04442	0.6
203.03900	8.3
203.05260	12.4
203.54111	0.7
208.04628	0.5
209.02957	0.8
212.04579	0.8
215.03979	9.8
221.05026	0.9
223.58835	0.4
224.04533	0.8
227.03960	7.7
233.04984	0.5
238.05595	0.4
239.03918	0.8
245.05042	100.0
246.05217	3.3
254.05653	0.7
257.05014	5.6
263.06088	14.6
264.06274	0.4
275.06091	11.7
284.06598	4.5
284.56723	1.2
286.07553	0.5
287.06082	0.5
293.07153	3.9
300.32181	0.4
304.57910	0.4
305.07117	13.4
306.07571	0.6
317.06863	0.5
322.95264	1.0
335.08179	4.0
336.08185	0.4
347.08182	0.9
364.96924	2.0
365.09866	70.4
365.59302	2.8
366.09512	2.3
383.10291	3.2
406.11896	0.4
407.10489	0.8
425.11365	46.3
426.11655	2.3
437.11334	2.7
455.12341	4.4
467.12592	0.6
485.13742	1.8
527.14124	0.7
604.91766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.3
69.03405	0.3
70.10155	0.8
70.10558	0.5
82.99857	1.0
85.02886	0.3
86.77881	0.3
94.99840	0.5
97.02867	0.7
98.21534	0.3
101.00838	2.2
109.02857	0.5
113.00896	0.5
116.01298	0.2
119.01015	0.4
119.01900	9.0
120.01935	0.4
122.01320	1.0
127.02386	0.5
128.01324	0.3
130.69505	0.2
131.01888	6.7
131.51932	0.8
132.01834	0.3
137.01852	2.7
137.02919	2.3
137.51910	0.5
140.02400	0.5
142.03474	0.2
142.52702	0.3
143.01872	11.5
143.51912	0.7
144.01921	0.5
145.03444	5.8
146.02396	0.4
146.03532	0.4
147.01349	0.9
148.94064	0.2
149.01839	1.0
149.02931	0.5
152.02406	2.2
152.52443	0.4
155.01859	5.8
156.01942	0.3
157.03438	2.8
158.02449	1.3
161.02933	17.7
162.03108	0.8
163.04436	0.9
164.02406	0.9
164.52391	0.2
167.01830	3.8
167.02907	0.4
169.03471	1.9
171.01340	0.3
171.05003	1.7
173.02943	18.2
173.53011	1.5
174.03035	1.0
175.04497	0.9
179.01743	1.4
179.03162	0.3
181.03438	0.4
182.03458	0.9
184.04539	0.6
185.02919	30.5
186.03058	1.8
187.04520	3.2
188.03426	0.4
189.06073	0.3
191.04005	0.9
194.03481	1.0
196.04541	0.5
197.02928	12.0
198.03119	0.7
199.04454	0.7
203.03830	12.2
203.54001	0.8
204.04076	0.7
208.04533	0.6
209.02974	1.2
212.04485	0.7
215.03970	9.4
216.04173	0.3
220.04393	0.3
221.02979	0.5
221.05000	1.2
224.04457	1.2
224.54651	0.5
226.05608	0.3
227.01758	0.4
227.03978	7.7
228.04214	0.3
233.05072	0.6
239.04080	0.9
243.01970	0.5
245.05032	100.0
246.05254	5.7
254.05588	0.9
256.96121	0.4
257.05026	5.3
258.05194	0.3
263.06104	14.0
264.06342	0.8
269.04990	0.4
275.06076	11.9
276.06238	0.7
281.04987	0.4
284.06595	4.5
284.56757	1.0
286.07703	0.9
287.06049	0.4
293.07132	3.3
294.91721	0.5
305.07141	12.2
306.07394	0.6
317.07135	0.5
323.08096	0.2
335.08182	3.2
336.08533	0.3
347.08026	0.9
365.09363	44.0
365.59473	2.0
366.09561	2.6
383.10324	3.2
397.09848	0.8
406.11743	0.4
407.10211	0.8
410.92694	0.8
419.95856	0.2
425.11349	41.4
426.11563	2.7
437.11322	2.5
455.12396	3.4
456.11887	0.4
460.56812	0.2
485.13742	1.3
527.14081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
56.37129	0.6
57.03432	1.0
57.07068	100.0
59.04997	21.3
67.05505	2.0
69.07057	3.0
69.96011	2.1
69.96440	2.6
71.08623	74.9
73.06544	1.9
81.07032	2.1
81.64704	0.8
83.08632	2.2
85.10172	59.0
86.09701	1.5
87.04450	9.7
89.06021	68.6
91.07587	1.0
93.07031	1.3
95.08612	1.6
97.10180	2.6
99.11720	9.3
101.06051	0.9
101.09659	1.9
105.07030	0.8
107.07082	3.3
107.08636	0.7
113.13249	4.3
117.09119	5.9
130.08643	4.2
131.07065	4.0
133.08588	55.6
143.71440	0.7
147.10144	0.9
155.01604	0.7
155.17958	9.2
171.81046	0.7
175.09668	3.9
177.11206	25.9
184.07306	5.9
213.22108	18.6
219.12346	1.5
221.13814	5.2
239.15007	2.1
254.24963	2.2
271.26273	8.2
283.17551	1.8
309.19058	0.9
327.20023	3.4
345.63342	0.7
371.22995	2.6
397.24292	1.1
414.23090	0.8
415.25351	13.9
455.28769	2.2
459.38657	0.7
473.29990	1.9
503.30493	3.5
513.32764	1.4
573.48462	4.6
619.65991	0.9
654.52539	0.8
685.50739	1.2
702.55475	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	704.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
54.06527	0.3
55.01852	1.6
55.05502	14.1
56.05019	1.0
57.03418	2.7
57.07065	13.7
57.07347	0.8
59.04991	3.3
60.04522	0.7
61.01159	0.4
61.02919	0.8
67.05496	6.2
68.99782	0.8
69.03417	7.1
69.07055	100.0
70.06575	13.2
70.07389	0.9
71.04973	4.3
71.08620	0.9
72.08134	2.3
73.02895	0.9
73.06519	0.6
74.06056	0.7
79.05479	1.5
81.03397	6.7
81.07038	6.7
82.07371	0.4
83.04973	0.8
83.08602	40.0
84.04481	2.4
84.08136	3.7
85.02891	14.3
85.06520	1.3
86.06068	0.8
86.09686	7.2
87.00807	5.1
87.04451	2.7
87.05582	0.8
89.06011	53.3
90.06404	0.4
91.05469	1.4
93.07029	1.7
94.06540	0.5
95.04944	0.9
95.08582	7.2
96.08119	0.6
97.02883	4.5
97.10138	2.6
98.09657	0.5
99.04411	3.0
99.08062	3.3
101.07142	0.5
102.05516	0.7
103.07576	1.7
104.05287	0.8
105.01852	4.1
105.07011	1.4
107.04929	0.5
107.07041	2.7
107.08533	1.8
108.08103	0.5
109.02849	5.1
109.06521	0.5
109.10141	4.8
110.07124	0.9
111.04456	0.7
113.06042	0.5
116.10709	1.0
117.01843	0.9
117.09145	0.8
119.08550	1.2
120.08081	2.8
121.06498	0.6
121.10162	1.2
122.09710	0.7
123.08108	0.6
123.11706	2.4
123.91730	0.4
125.09596	0.5
125.13242	11.6
127.03896	8.2
127.08636	0.4
128.10651	0.5
129.01837	0.6
129.06848	0.4
129.10190	2.0
130.04971	0.7
130.08632	1.1
131.07033	1.3
131.08540	0.6
133.08578	49.5
135.10159	0.5
135.11685	0.4
136.07574	1.2
137.13185	0.4
139.07513	0.5
141.12769	0.9
143.08580	0.5
143.10753	0.6
143.14264	2.5
145.04926	1.9
145.10098	0.9
147.11662	0.8
149.05962	0.4
149.09619	0.7
151.07521	0.5
151.09610	1.3
157.10005	0.4
159.02841	2.0
159.11598	0.7
160.07590	0.4
165.09064	1.0
165.16370	1.6
171.11636	0.8
173.12994	1.5
175.09619	1.6
177.11192	11.0
177.12502	0.4
183.14932	1.3
183.17412	4.2
185.13251	0.4
191.12650	0.4
193.14333	0.7
194.80664	0.4
195.12309	1.9
201.12364	0.7
210.15031	0.4
211.14438	0.6
215.14030	0.5
221.13800	9.6
227.19951	2.7
228.15952	0.6
231.04980	0.8
237.13521	0.4
238.17960	1.5
239.14838	27.5
240.19598	1.1
241.19502	1.3
245.21158	0.4
271.22955	0.5
272.18665	0.5
279.17984	5.3
283.17426	3.9
289.09192	0.4
297.19016	14.0
304.55185	0.4
324.21725	0.4
340.21036	0.9
342.22647	0.9
355.09167	0.4
363.27496	0.5
377.29340	0.5
420.26950	0.7
421.31519	86.2
422.31830	2.6
438.28445	1.2
439.32596	19.0
456.29352	0.6
471.31216	0.7
475.35376	0.5
489.32385	0.5
568.85425	1.0
655.19464	0.5
700.51398	0.5
704.39990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64981	0.8
55.01840	1.1
55.05508	4.0
57.03419	2.2
57.07069	35.8
61.02650	0.8
61.02921	11.8
65.78387	0.6
67.05499	10.5
69.03425	1.4
69.07063	8.1
69.11983	0.7
71.08623	31.5
71.72041	1.4
73.02908	4.0
75.04453	3.1
77.35542	0.6
79.05466	1.4
81.03400	0.8
81.07046	16.5
83.08610	8.1
85.02895	15.8
85.06534	0.9
85.10165	18.5
86.09686	3.0
87.04440	0.7
89.06009	0.8
91.03407	1.0
91.03941	13.6
93.07041	1.0
95.08596	21.8
96.78963	0.7
97.02883	6.7
97.10155	10.9
99.04459	1.1
99.11713	1.9
104.63647	0.6
109.10145	12.9
111.11714	5.3
112.76969	0.6
115.03875	0.9
123.11685	5.5
124.99976	2.4
127.03917	5.0
137.13249	2.9
145.04942	7.2
160.76289	0.7
161.23033	0.6
163.05988	13.7
184.07324	8.0
249.25768	1.2
267.24121	1.3
267.26797	17.4
285.27869	2.7
341.30469	100.0
342.30780	2.1
349.67426	0.7
359.31509	44.2
360.31934	1.1
571.46997	1.5
700.44476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01863	2.4
55.05502	45.8
57.03425	5.0
57.07066	19.8
59.04992	28.4
61.02917	1.3
67.05486	5.8
68.99769	1.3
69.03418	10.7
69.07059	52.3
70.06572	2.8
71.04982	4.0
71.07914	0.8
71.08256	1.1
71.08621	8.1
72.08165	0.8
72.45608	0.5
73.02908	1.5
73.06541	0.6
75.04466	0.5
75.12114	0.5
79.05482	1.2
81.03403	10.8
81.07043	15.4
83.04969	2.2
83.08606	100.0
84.08148	0.7
84.08925	0.5
85.02887	19.4
85.06515	1.7
85.10173	1.2
86.09697	2.1
87.00814	8.2
87.04447	2.0
89.06015	14.3
91.05431	0.8
93.07013	1.3
95.04963	1.4
95.08593	12.5
95.09158	1.0
97.02878	7.7
97.06517	0.7
97.10155	53.9
98.10419	0.5
99.04435	5.0
99.08069	2.2
101.05997	1.4
101.09645	1.8
103.07566	3.7
105.01850	6.1
105.06986	1.0
107.07059	2.3
107.08560	1.3
107.50062	0.6
109.02869	8.8
109.06497	0.8
109.10143	7.5
111.04431	3.5
111.08041	0.6
111.11715	7.7
113.09629	1.0
117.01884	1.0
117.09110	8.0
119.08554	0.8
120.08115	0.9
121.06487	0.8
123.11695	6.4
125.06039	1.1
125.13248	4.2
127.03893	14.1
129.01830	1.2
129.10193	0.6
133.08571	6.8
135.08044	0.8
135.10135	2.5
137.13243	3.6
139.14789	4.7
143.14331	1.5
145.04918	3.7
145.08624	1.0
145.10095	0.6
147.02898	0.7
147.10150	4.6
151.09642	2.7
151.14827	1.3
153.16402	1.2
155.14304	1.2
157.15894	2.5
159.02855	3.4
161.11705	1.0
165.11253	2.1
165.16396	0.7
167.07057	1.1
171.17461	1.0
179.17903	2.7
183.17479	0.8
185.08064	0.7
189.03961	1.1
191.12775	5.2
193.19554	1.9
197.18961	3.6
201.18538	2.3
205.14230	4.6
209.13838	3.8
211.20526	3.0
213.03954	1.3
215.20018	11.7
220.16924	0.6
223.15411	2.5
229.21550	6.4
231.04967	3.0
238.18094	0.9
241.21545	1.6
249.16904	2.9
255.23163	6.4
259.22629	2.8
263.18491	3.0
265.17734	0.6
269.24704	3.5
273.24207	9.6
281.19641	0.7
281.36545	0.5
287.25864	1.7
289.09024	2.6
313.27362	1.0
317.26608	1.1
331.28540	1.2
355.12878	0.6
383.03079	0.6
419.33615	53.8
420.33923	1.5
437.34692	40.2
438.35229	0.8
492.31641	0.6
516.66595	0.6
575.07428	0.6
598.93286	0.6
704.95245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08455	0.1
61.01438	0.2
67.05492	0.4
67.56839	0.1
70.06569	0.2
70.10374	0.8
70.51918	0.2
72.08152	0.2
79.05484	0.2
81.07046	0.4
83.92471	0.2
93.07011	0.2
95.21507	0.2
98.21413	0.3
120.08203	0.2
122.21101	0.2
138.31827	0.2
185.04247	0.7
203.05263	2.0
245.06291	0.2
259.07874	1.3
275.07480	0.3
291.19733	0.2
301.20255	0.3
305.08307	0.4
347.09485	2.3
347.20679	0.2
360.16138	0.2
365.10529	4.3
421.13184	1.7
537.30310	16.4
538.30615	0.8
540.74231	0.2
622.14014	0.2
699.35516	100.0
700.35828	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	700.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05503	5.6
56.05025	0.9
57.05799	0.8
57.07046	0.2
59.48184	0.2
60.04511	0.6
61.02945	0.2
65.03938	0.4
67.05486	0.6
69.03114	0.2
69.03411	1.0
69.07061	1.2
69.60825	1.2
69.61240	0.4
70.02952	0.2
70.06583	10.7
71.04982	2.7
71.06920	0.3
72.08144	100.0
73.08478	0.7
74.06054	0.3
76.02208	0.3
79.05481	0.5
81.03410	0.7
81.07059	1.4
82.06602	0.3
83.04984	0.6
84.04494	2.1
84.08134	2.2
85.02895	4.9
85.06537	0.3
86.03235	0.3
86.09693	94.6
87.00831	0.4
87.04451	0.2
87.05584	2.7
87.10025	0.7
88.03997	0.2
91.05468	0.9
93.07030	0.7
94.06564	0.4
95.04973	0.3
95.08607	1.3
96.08092	0.3
97.02885	0.5
97.06557	0.3
98.06028	0.3
98.09677	1.4
98.21478	0.4
99.04475	0.5
100.02143	0.2
101.07116	0.2
102.05497	1.1
105.01880	0.3
105.07047	0.6
107.07332	0.2
107.08581	0.5
108.08115	1.0
109.02872	0.3
109.06551	0.4
109.10177	0.3
110.09663	0.4
111.04459	0.3
112.08740	0.4
114.05591	0.2
115.05040	5.4
115.08684	0.3
116.07133	0.2
117.05609	0.2
119.04941	0.3
119.08579	0.3
120.08090	2.1
121.06493	0.3
121.08453	0.3
121.10130	0.7
122.09617	0.4
123.04469	0.3
126.05503	0.2
127.03915	1.1
127.04961	0.2
127.08676	0.2
129.05461	1.1
129.10222	6.6
130.04970	1.0
130.06474	0.2
131.04892	0.2
131.08549	0.2
131.11783	0.2
132.08096	0.3
133.10167	0.3
135.08081	0.3
135.11682	0.3
136.07581	1.5
137.05983	0.7
137.07988	0.2
137.13260	0.2
140.14330	6.6
141.06699	0.3
141.10225	0.5
143.07016	0.2
143.11784	1.2
144.04398	0.2
145.04919	0.5
145.10130	0.3
146.02698	0.3
147.04465	0.2
147.11691	0.3
148.03922	2.2
148.06010	3.8
149.04221	0.9
149.13220	0.3
154.15889	1.0
155.08206	0.2
155.11775	5.5
157.09756	0.7
159.09190	0.4
159.11618	0.3
162.05457	0.3
166.04959	0.9
166.08629	0.2
167.05371	0.4
168.11349	0.2
169.09717	2.5
169.13303	0.2
171.11276	4.8
172.03867	0.9
173.04282	0.4
173.09274	0.2
173.12851	0.4
181.06165	0.2
181.09744	0.3
183.11272	8.5
183.14763	0.4
183.18542	0.2
185.16476	2.3
186.12347	7.1
187.07184	0.2
190.05009	0.5
191.05383	0.3
196.10835	0.4
197.16512	0.6
199.10805	0.3
199.18028	11.8
200.14015	0.4
200.18469	0.2
201.12347	0.9
204.06558	1.9
205.06943	0.9
211.14491	0.3
211.18083	0.7
213.08873	0.2
213.16075	1.2
214.11836	24.6
215.12163	0.4
215.14008	0.3
217.75500	0.2
218.15454	0.2
220.16888	1.5
221.17265	0.3
222.18515	1.1
223.18878	0.3
225.15932	0.6
227.17509	8.7
228.13399	6.9
237.14862	0.3
238.18002	3.3
239.14389	0.2
239.18565	1.4
239.68956	0.7
240.19542	3.3
241.19899	1.1
243.13399	0.4
253.22725	2.9
254.18661	0.8
255.15932	0.3
256.18896	0.2
257.12766	0.7
258.13208	0.6
261.14429	4.5
267.24335	0.3
270.18112	0.7
273.17020	0.2
281.19598	0.3
281.22244	1.4
282.18079	6.3
284.19656	0.5
287.05554	0.4
295.23770	0.3
296.19632	2.1
299.20737	9.4
301.11810	0.6
302.12134	0.5
309.19226	0.3
313.22363	0.7
314.20685	0.3
320.13385	0.2
326.24423	0.5
327.20218	22.1
328.20593	0.8
340.25970	1.2
341.21814	1.7
343.12753	1.1
344.13113	1.9
356.21606	0.3
357.14166	0.3
358.14792	0.6
367.27005	1.0
374.22769	4.2
375.15927	0.2
375.22543	0.2
395.21387	0.5
395.26468	5.7
399.26230	0.3
412.29120	13.6
413.28674	0.7
422.27597	0.5
440.28632	34.5
441.29013	1.4
450.08856	0.2
452.26663	0.3
454.30386	1.3
472.73340	0.5
475.35480	0.5
477.36685	1.9
478.37222	1.7
480.35385	0.3
486.84253	0.2
487.31036	1.8
493.36572	0.2
494.37296	0.9
508.34839	3.2
512.34338	0.7
525.37537	10.7
526.37592	0.8
535.35687	1.0
541.32794	0.3
553.36993	16.7
554.37305	1.1
569.32751	0.5
586.37933	0.2
654.41833	0.4
682.41174	0.9
700.42499	3.0
701.37000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
53.37432	0.1
55.01852	0.4
55.05474	0.2
56.05042	0.1
57.03411	0.4
61.02895	0.4
63.81980	0.1
64.43780	0.1
65.03934	0.3
67.05490	0.4
68.99782	0.3
69.03420	2.1
69.07047	0.4
70.06581	1.8
70.31646	0.6
71.04975	0.4
72.08144	0.4
73.02911	0.4
77.03934	0.1
79.05465	0.9
80.04999	0.3
81.03410	1.6
81.05753	0.2
81.07040	0.5
84.08128	0.4
85.02893	5.7
86.09700	1.2
87.00813	2.4
88.03938	0.1
91.05468	2.4
92.06247	0.3
93.07017	0.6
94.06551	1.0
95.04936	0.4
95.08578	0.3
95.15529	0.1
96.08134	1.1
97.02876	2.1
97.06489	0.2
98.05467	0.1
98.06095	0.1
99.04432	0.6
102.32813	0.1
103.05435	0.4
104.04971	0.2
105.01849	2.1
105.05766	0.2
105.06960	0.2
106.06537	1.5
107.08564	0.2
108.04465	0.2
108.08097	0.6
109.02863	1.6
110.06049	0.1
110.07152	0.2
116.04945	0.3
117.01872	0.3
117.05739	0.5
118.06520	2.5
119.07337	0.4
120.08084	13.3
121.08430	0.2
121.10155	0.2
122.05991	0.3
122.09654	0.6
124.07571	7.7
126.05479	0.2
126.09145	0.7
127.03894	2.8
129.01810	0.4
129.10167	0.3
132.08105	0.2
133.05255	0.1
133.10100	0.1
134.05994	5.6
134.09627	0.2
135.06886	0.3
136.07562	2.5
137.05878	0.2
138.05452	1.1
138.09117	0.5
144.08104	0.1
145.04939	0.9
145.10126	0.1
146.05934	2.4
147.06761	2.7
148.07550	11.3
150.09154	0.8
152.07054	1.4
159.02847	0.5
159.07724	0.1
159.09148	0.2
162.09077	0.7
164.07040	58.5
165.07494	0.9
165.08878	0.1
166.08615	1.9
170.09621	0.1
173.12923	0.1
174.09076	0.2
174.12701	0.2
180.06497	0.2
188.07141	0.2
198.09163	0.3
198.12837	0.2
200.10706	0.6
200.14355	0.2
201.10130	0.2
212.06863	0.2
213.03882	0.2
214.10963	0.8
215.15433	2.0
216.10184	1.5
220.16925	0.3
222.18550	0.3
225.13821	0.3
226.12125	0.7
228.10143	0.5
229.13383	0.9
231.04965	0.6
232.09659	0.3
238.17897	0.8
239.18362	0.2
240.19595	0.4
242.10313	0.2
243.14900	6.0
245.14142	0.3
245.16464	3.4
253.13306	1.1
254.11761	1.2
271.14377	16.7
272.14728	0.3
273.12314	0.6
287.13937	0.3
287.17377	0.2
289.15414	100.0
290.15778	1.4
324.14413	0.2
379.16464	0.2
415.18585	0.2
433.19498	0.5
475.35739	0.1
477.36652	0.3
491.34576	0.2
501.18466	0.2
519.19702	0.4
537.20483	0.3
599.01807	0.2
599.43970	0.1
681.26013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23010	0.8
53.03923	1.7
55.05500	20.5
57.03435	7.1
57.07066	14.8
61.02917	26.2
61.94616	0.8
67.05493	29.9
69.03413	2.9
69.07058	40.3
71.02686	1.6
71.04979	2.5
71.08624	10.0
73.02911	9.1
75.04466	2.9
79.05483	11.5
81.07044	36.6
83.08604	35.2
85.02889	34.5
85.06518	3.6
85.10156	5.7
86.07894	0.8
91.03935	31.2
91.05464	1.8
93.07029	15.6
95.08591	42.8
97.02882	14.9
97.06515	6.1
97.09533	1.4
97.10159	23.0
99.04443	1.0
99.08073	3.2
104.57711	0.7
107.08575	14.6
109.02838	1.7
109.10143	21.3
111.08042	4.1
111.11718	9.2
113.09641	1.9
115.03929	1.4
121.10118	28.9
123.11684	8.5
125.09629	2.6
125.13259	2.5
127.03894	10.9
135.11667	28.5
137.13229	3.4
139.11174	2.8
139.14825	0.9
145.04944	13.7
149.13245	11.6
151.14807	4.6
151.15871	0.8
153.12744	1.6
163.04703	1.8
163.06000	28.9
163.14778	6.0
165.16371	3.6
167.14288	1.6
171.13779	1.0
177.16365	3.3
181.15903	1.1
185.24458	1.0
191.17860	1.5
192.40567	0.8
205.19461	1.0
247.24181	30.8
248.24515	1.7
265.25226	94.6
266.25476	1.8
283.26285	20.5
324.28867	1.1
339.28894	100.0
340.29202	2.6
342.19919	0.9
357.29947	86.3
358.30334	3.1
661.66608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01856	0.9
55.05259	1.4
55.05502	14.0
57.03435	6.0
57.07066	8.6
61.02918	26.4
64.17676	0.8
65.03922	2.3
67.05495	54.2
69.03410	3.3
69.07059	20.1
71.04972	2.4
71.08626	5.6
71.70838	1.4
73.02901	8.8
75.04476	1.2
79.05477	13.4
81.03421	1.8
81.07044	76.5
83.04975	2.0
83.08607	18.6
85.02892	32.0
85.06528	1.9
85.10165	2.9
87.04456	1.0
91.03941	27.3
91.05466	11.1
93.07030	20.1
95.04910	1.0
95.08593	60.4
97.02876	17.4
97.06512	5.4
97.10155	10.7
99.04428	2.1
99.08060	4.1
105.07010	9.2
107.08575	13.3
109.10137	30.9
111.08056	3.8
111.11704	3.3
113.09650	1.5
119.08556	9.9
121.10126	17.3
123.11684	17.1
125.09688	0.9
125.13263	1.7
127.03894	8.6
131.08524	0.9
133.10118	12.7
135.11673	11.3
137.13223	6.4
139.11130	1.4
141.12746	2.7
145.04927	11.0
147.11668	10.2
149.12350	0.9
149.13278	9.4
151.11273	1.1
151.14764	6.4
153.12669	1.3
155.14302	4.2
161.13243	12.1
163.05994	22.5
163.14799	8.1
165.12755	1.9
165.16403	9.5
167.14265	1.1
175.14799	10.7
177.16437	2.3
179.14378	1.4
179.17914	6.1
179.68253	0.8
181.15790	1.1
189.16327	4.6
193.15831	1.6
207.17509	1.0
217.19481	0.9
223.63231	0.9
240.19545	1.2
245.22615	60.3
246.23016	1.3
263.23666	100.0
264.24158	1.9
281.24652	4.0
337.27316	69.8
338.27573	1.2
355.28375	17.1
481.31079	1.1
499.32687	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	696.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01867	0.9
55.05244	0.9
55.05504	11.4
57.03434	3.5
57.07069	6.3
60.20118	0.5
61.02917	23.9
61.68185	0.5
61.77653	0.4
65.03913	0.6
67.05495	45.9
69.03429	3.2
69.07059	14.5
70.93932	1.0
70.94276	0.7
71.04980	2.0
71.08625	3.9
73.02907	10.4
75.04466	1.0
79.05482	11.8
81.03392	1.5
81.07044	62.3
82.07407	0.6
83.04970	1.5
83.08606	13.2
85.02893	28.8
85.06533	1.7
85.10172	2.5
87.04458	0.6
91.03943	24.9
91.05464	10.2
93.07032	15.4
95.04989	0.7
95.08593	51.4
96.08911	0.5
97.02878	14.1
97.06522	5.2
97.10155	10.0
99.04437	2.1
99.08096	2.6
101.02389	0.7
103.03910	0.7
105.07019	7.2
107.08579	12.3
107.09274	1.0
109.02846	0.9
109.06499	0.8
109.10140	29.2
110.10472	0.9
111.08080	2.9
111.11713	3.1
113.09631	1.8
115.03925	1.3
119.08568	9.0
120.08907	0.5
121.10128	16.3
122.10490	0.6
123.04367	0.6
123.08079	0.8
123.11693	14.8
125.09613	1.3
125.13248	1.3
127.03897	11.1
127.11184	1.6
133.10120	10.6
135.11668	9.8
136.07574	0.9
137.09630	1.6
137.13258	5.9
139.11139	1.1
139.14812	0.5
141.12724	2.9
145.04947	12.6
145.06111	0.7
147.11668	8.8
149.13242	8.5
151.11205	1.4
151.14795	4.9
153.12790	0.6
155.14287	2.5
159.11671	0.5
161.13251	10.4
163.05995	23.3
163.14801	7.7
164.06287	0.6
165.12712	1.2
165.16371	8.2
167.14268	1.0
175.14806	8.1
177.16388	2.1
178.12099	0.4
179.14340	0.8
179.17923	6.5
181.15833	1.2
185.15291	0.7
189.16333	3.6
193.15936	1.2
203.17908	1.7
204.08769	0.8
207.17401	1.0
217.19510	1.8
245.22621	59.2
246.22922	1.6
247.24197	1.1
263.23663	100.0
264.24060	2.5
265.25296	2.8
281.24734	3.6
321.49319	0.5
337.27316	44.9
338.27499	2.0
355.28372	12.3
356.28674	0.7
463.11530	0.5
481.31351	0.6
499.32404	1.4
521.18127	0.6
706.50891	0.5
707.73950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17954	0.1
55.01844	0.4
55.05481	0.2
56.05014	0.1
58.06573	0.1
61.01101	0.1
67.05479	0.5
69.03400	0.2
69.07058	0.6
70.06581	2.9
70.63580	0.1
70.63942	0.3
71.04973	0.2
71.06890	0.1
72.08145	0.6
74.06062	0.2
75.68305	0.1
79.05437	0.3
80.04982	0.3
81.03370	0.2
81.07030	0.6
82.06548	0.2
84.04447	0.4
84.08135	0.8
85.02877	0.5
86.09210	0.1
86.09691	1.3
91.05434	0.3
93.07021	0.3
94.06550	0.8
95.04927	0.4
95.07323	0.2
95.08556	0.3
96.04491	0.1
96.08091	0.7
97.02864	0.1
97.06514	0.2
98.06006	0.3
98.21371	0.1
99.15997	0.1
101.07088	0.1
103.20335	0.1
105.01826	0.1
105.06992	0.2
106.06533	0.2
107.08578	0.1
108.04462	3.2
108.08108	1.3
109.06451	0.1
109.10120	0.1
110.05994	0.3
110.07098	0.3
110.09666	0.9
112.07538	0.3
115.08659	0.1
118.06489	0.3
120.04405	0.3
120.08084	1.4
121.10123	0.2
122.06013	1.0
122.09594	0.2
124.07610	0.5
126.05484	0.2
127.03861	0.2
129.10254	0.5
130.06433	0.1
133.10059	0.2
134.05930	0.3
136.07549	2.6
137.05891	0.2
137.07800	0.1
138.05481	0.7
138.09117	5.5
140.07042	1.7
142.08562	0.2
142.60832	0.1
144.04404	0.2
145.04836	0.2
146.05997	2.1
146.09554	0.1
147.06717	0.2
148.03877	0.3
148.07542	1.3
150.05504	0.7
152.07074	0.7
158.05943	0.1
160.07516	0.1
162.05464	0.2
164.07056	2.0
166.04962	0.9
166.08603	1.3
168.06534	4.7
172.03911	0.7
172.07579	0.1
173.07022	0.1
173.12755	0.1
174.05511	1.1
174.09103	0.2
176.06984	0.4
181.08783	0.3
182.08127	0.8
182.09584	0.2
183.14931	0.1
184.09883	0.1
190.04901	0.4
192.06502	0.3
194.09573	0.3
195.09055	0.2
196.07478	0.1
196.09671	0.2
196.11185	0.4
197.06895	0.1
197.10699	0.4
198.07683	0.2
198.09175	0.3
198.11450	0.1
199.06900	0.1
199.08620	1.6
200.09192	0.2
201.10318	0.2
201.12187	0.1
204.06540	1.3
206.08122	2.0
207.09026	0.1
208.07550	0.2
209.08334	0.3
209.10718	0.2
210.07794	0.4
210.11391	0.8
211.08632	5.5
211.12111	1.1
212.09320	1.5
213.10208	2.1
213.13857	0.2
214.10854	0.3
218.08136	0.2
220.16902	0.2
221.10680	1.2
222.07220	0.1
222.09178	1.6
222.11433	0.3
222.18492	0.6
223.08469	1.1
223.12103	0.8
223.18660	0.2
224.10640	1.7
225.06610	0.2
225.10159	5.2
226.07022	0.6
226.10742	1.0
227.08131	2.2
227.11661	0.8
228.08864	0.3
229.09677	0.2
230.14931	0.1
233.11449	0.1
235.08563	0.2
235.12151	0.2
236.07120	0.1
236.09357	0.3
237.10190	0.9
237.13806	0.2
238.08463	0.2
238.10857	1.0
238.18007	1.1
239.08168	1.1
239.11739	8.9
239.18661	0.7
239.68953	0.2
240.08623	0.9
240.12445	0.8
240.19553	4.5
240.69666	0.8
241.09688	2.7
241.13342	1.3
241.19904	1.0
242.10370	1.2
243.11139	0.3
245.12856	0.1
248.09296	0.2
249.10168	1.3
250.08549	1.3
250.11002	0.6
251.08101	1.2
251.11714	1.0
252.08473	1.6
253.09677	5.6
253.13174	0.3
254.08087	0.1
254.10466	1.0
255.11223	1.3
256.11890	0.5
257.09094	0.1
257.12875	0.8
259.14362	0.3
263.11752	1.0
264.08939	0.2
264.12485	0.2
265.09735	0.5
265.13348	0.6
266.10315	0.5
267.07837	0.6
267.11230	12.7
268.09103	0.4
268.11899	0.8
269.09235	0.3
269.12784	2.6
270.10049	0.2
271.10608	0.3
271.14267	0.3
272.11502	0.1
273.12265	0.2
277.09741	0.5
278.08026	0.4
278.10535	0.3
279.11209	2.3
280.08142	0.5
280.12125	0.2
281.09253	0.7
281.12738	0.6
282.10004	0.2
282.13516	0.1
283.10812	0.9
283.13806	0.1
284.11511	0.7
285.08975	0.2
285.12225	1.8
287.13831	0.7
291.11200	0.6
293.09238	0.3
293.12802	0.6
294.09531	0.2
295.10721	6.7
296.08893	0.4
296.11987	0.6
297.12280	4.9
298.10361	0.2
298.13190	0.2
299.10284	0.3
299.13855	1.4
301.11813	0.3
303.13254	0.3
305.14914	1.8
306.07547	0.2
309.12286	2.5
310.13281	0.2
311.10541	0.2
311.13779	1.2
313.11761	39.9
314.12195	1.4
315.13318	1.0
319.10760	0.4
321.12170	0.4
323.10263	2.3
323.13901	0.2
324.11157	0.2
325.11703	0.7
327.13272	0.5
329.14801	0.2
331.12799	0.1
337.11765	2.3
338.12451	0.1
339.09738	0.2
339.13324	1.3
340.10049	0.3
341.11267	15.8
342.12033	2.7
342.16132	0.2
343.12753	0.5
345.14532	0.2
355.12845	2.4
355.19504	0.1
356.13358	0.2
357.14417	1.0
358.15286	0.1
359.12320	5.5
360.12689	0.2
369.14435	2.9
370.14963	0.3
371.11826	0.1
371.15988	1.7
372.16592	0.2
373.13873	100.0
374.14258	3.6
375.15372	0.4
388.16376	0.2
389.13367	0.3
390.13611	0.4
391.13821	0.3
404.15680	0.1
414.18082	0.1
418.21689	0.1
430.17743	0.1
436.22318	0.9
442.17334	0.1
444.19238	0.3
446.21576	0.1
448.18512	0.3
450.20325	0.2
460.18594	0.3
462.20221	0.8
464.17953	0.2
476.18112	0.4
477.36630	0.3
478.19635	0.2
478.37064	0.1
479.38669	0.7
480.21167	0.9
480.38864	0.7
482.19269	0.9
494.19028	1.0
495.23209	0.1
506.19165	0.7
514.21796	0.6
520.21039	0.2
524.20233	0.4
526.21692	1.4
538.21887	1.0
583.25415	0.2
601.26239	0.4
609.22620	0.2
619.27338	0.8
627.24445	1.0
641.25586	0.2
645.25409	2.0
646.25995	0.1
651.29730	0.2
659.26941	1.1
663.26355	1.2
677.27899	0.8
695.27966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05494	1.4
56.05014	1.4
59.04982	1.2
60.04503	0.8
65.03920	1.4
67.05508	3.8
67.96242	0.6
69.03400	2.4
69.07047	2.0
70.02906	0.7
70.06583	20.0
71.04985	1.9
72.08144	3.9
74.06075	0.6
79.05454	2.0
81.03387	1.0
81.07059	3.3
82.06563	1.4
82.07400	0.9
83.04981	1.3
83.06122	1.0
84.04488	2.6
84.08139	5.9
85.02887	3.1
86.09693	9.7
87.00802	0.9
87.05592	0.9
87.10042	1.1
88.03979	0.8
89.06002	1.3
91.05470	3.8
93.05757	1.9
93.07025	2.8
94.06561	5.7
95.04946	2.4
95.08590	3.0
96.08118	5.8
97.02874	1.3
98.06030	1.1
98.20583	1.5
99.04459	1.0
101.07125	0.9
102.05521	0.7
103.05460	0.9
105.07037	2.0
106.06538	1.0
107.07360	3.3
107.08568	2.7
108.08105	19.4
109.02814	0.9
109.06505	1.2
109.10135	1.7
110.07140	1.7
110.09668	3.2
117.06992	1.0
119.04891	1.1
119.08505	1.1
120.08101	11.1
121.05220	0.7
121.06522	1.0
121.08900	0.9
121.10103	0.8
122.06017	3.0
122.09649	20.1
123.08083	0.7
124.07571	0.7
124.11216	34.8
125.06014	0.7
127.03888	1.3
129.10222	2.9
131.08565	0.6
132.08034	1.5
133.08569	1.4
133.10133	1.3
134.06017	1.6
134.09631	2.6
135.06802	1.0
135.10425	1.4
136.07561	100.0
136.11177	15.1
137.05959	1.4
137.07930	0.7
138.09119	1.9
141.10150	0.8
144.08078	1.0
146.05997	1.1
146.09654	1.0
147.09151	0.9
148.07535	2.3
148.11180	1.7
149.09618	1.1
150.09108	1.2
150.12640	0.7
152.07088	2.7
153.70683	0.7
155.08255	0.7
159.08015	0.8
159.09193	3.8
159.11559	0.8
160.07669	1.3
160.11122	1.1
161.12029	0.8
162.05530	1.8
162.09113	0.8
163.11081	1.1
164.07050	65.9
164.10675	4.6
165.07361	1.2
166.08638	1.9
166.12253	15.1
172.11272	1.2
173.07121	1.3
173.12852	1.4
174.09155	0.8
175.08658	1.2
176.10686	1.6
178.12268	6.6
183.11592	0.7
187.05000	1.3
187.08710	4.7
188.07167	0.7
188.10732	0.9
189.06575	2.4
190.12259	2.2
192.06529	0.7
193.13399	1.9
197.10786	1.0
197.12671	0.6
199.12381	0.9
201.06563	2.6
201.10219	1.2
201.12401	1.2
203.08195	2.3
205.09862	1.3
211.08675	1.2
211.12393	0.9
213.06680	0.8
213.10323	1.0
215.04575	2.3
215.08163	7.9
216.06709	1.3
217.06093	3.6
217.09715	1.2
219.07425	0.7
220.16939	2.8
222.18590	1.7
225.10199	1.0
225.13818	1.1
227.08118	1.4
227.11765	1.3
227.15410	0.8
229.06020	4.2
229.09735	2.6
230.06804	3.5
230.18254	0.8
230.30173	0.8
231.07668	3.6
231.11288	1.0
233.09142	2.2
238.11111	1.4
238.17990	4.2
239.08070	1.2
239.11850	2.3
239.15392	1.5
239.18588	1.7
240.12508	2.0
240.19528	3.6
241.09648	1.1
241.13293	3.4
241.19955	1.0
242.14113	1.2
243.07582	9.8
245.09254	2.6
253.10049	0.7
253.13301	2.9
254.14081	1.4
255.14851	1.7
256.15836	1.3
257.09183	7.1
257.12885	0.9
257.16415	2.1
259.07175	4.7
259.10797	1.1
261.08643	2.0
262.07101	1.0
265.13339	1.8
267.07669	1.5
267.11285	1.4
267.14896	1.5
269.09280	1.3
269.12766	0.9
269.16525	3.7
271.07120	5.3
271.09906	1.1
271.14435	1.2
272.07913	1.9
273.08694	12.3
273.15921	16.0
275.10217	1.3
277.13358	2.1
279.14865	1.0
281.12717	1.4
283.10919	1.1
283.14359	1.1
285.08688	10.5
285.12491	1.4
285.15909	11.0
286.09589	1.1
287.05490	1.5
287.10303	6.2
287.17474	19.7
289.08109	7.5
293.09219	0.8
297.09006	0.8
297.15961	2.1
299.06686	2.1
301.11728	0.9
303.06375	0.9
303.09714	21.7
311.17569	2.8
313.08170	5.5
313.11478	1.1
315.09760	11.2
315.13248	1.0
317.07654	2.4
317.11142	1.3
327.09564	0.8
329.18539	6.6
331.09146	4.2
333.10901	1.2
335.08713	1.3
337.10413	0.8
339.12436	1.9
339.16980	26.0
340.17639	1.1
341.07703	3.9
341.18448	1.4
345.10715	5.6
349.10303	8.1
354.17981	2.1
355.18741	1.3
356.19659	2.8
357.17795	0.9
359.08780	5.8
363.11813	11.0
373.10028	1.5
373.14166	1.2
377.09821	8.2
391.11221	12.5
393.12933	1.6
397.76309	1.1
405.12881	6.4
409.18201	0.8
464.18088	1.8
482.19257	4.5
494.19305	5.6
496.20667	2.7
508.20389	0.9
514.21832	21.4
515.22168	1.1
526.21686	7.2
539.23083	0.7
590.79962	0.9
601.26373	1.5
627.24536	4.6
641.26123	1.2
645.25433	12.9
659.26617	6.6
663.25671	0.8
677.27979	22.0
678.28021	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	695.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05491	0.2
56.05014	0.2
60.04506	0.3
65.03908	0.1
67.05487	0.5
69.03404	0.2
69.07050	0.7
69.89610	0.8
70.06578	3.3
71.04976	0.3
72.08138	0.6
74.06069	0.2
75.75097	0.1
79.05470	0.7
80.05016	0.3
80.29427	0.1
81.03388	0.3
81.07034	0.4
82.06556	0.4
84.04492	0.3
84.08136	0.7
85.02880	0.5
86.09686	1.3
91.05478	0.5
93.05749	0.2
93.07014	0.9
94.06547	1.7
95.04962	0.6
95.07339	0.9
95.08585	0.4
96.04443	0.2
96.07533	0.2
96.08118	2.5
97.02881	0.2
97.06516	0.2
98.06033	0.2
100.11225	0.2
101.07088	0.2
102.05479	0.1
105.07028	0.2
106.06523	1.1
107.07300	0.4
107.08551	0.1
108.04457	1.9
108.08109	3.2
109.08887	0.2
110.06018	0.6
110.07138	0.6
110.09663	3.9
111.04479	0.1
112.07580	0.2
116.04957	0.2
118.06503	0.4
118.07322	0.1
120.04441	0.5
120.08091	3.4
121.06487	0.1
121.08360	0.1
122.06002	0.7
122.09637	0.3
123.06784	0.2
124.07568	1.4
126.05511	0.2
127.03904	0.2
129.10213	0.5
130.04999	0.2
130.06529	0.2
132.08070	0.2
134.05975	0.5
136.07559	4.5
137.05957	0.2
138.05524	1.1
138.09116	21.3
139.09489	0.3
140.07045	1.4
144.04482	0.4
145.04984	0.2
146.05984	2.6
146.09599	0.3
147.06763	0.2
148.03943	0.3
148.07538	2.2
150.05478	0.6
150.09070	0.3
152.07048	2.6
154.04941	0.1
155.08165	0.1
158.05994	0.4
158.09569	0.1
160.03900	0.2
160.07585	0.2
162.05489	0.5
162.09108	0.4
164.07045	5.6
165.07613	0.2
166.04994	0.7
166.08611	5.0
167.08995	0.2
168.06549	2.8
172.03909	1.9
174.05472	1.0
176.07011	0.7
176.14250	0.1
178.05016	0.2
178.08609	0.2
181.08862	0.2
182.08096	2.8
182.09711	0.2
182.15347	0.2
184.09840	0.2
185.10748	0.1
187.08453	0.1
190.04942	1.5
192.06529	0.5
194.09744	0.3
195.09149	0.2
196.07622	0.2
196.09647	0.2
196.11270	0.4
197.10699	0.6
198.09222	0.3
198.11411	0.3
199.08617	0.9
199.12291	0.2
200.07013	0.2
201.10179	0.3
204.06522	3.1
204.08376	0.2
205.86836	0.1
206.08110	1.6
209.10751	0.6
210.07813	0.4
210.09442	0.1
210.11443	2.9
211.08629	4.5
211.12164	1.7
212.09271	1.0
213.10233	1.1
213.13899	0.3
214.10677	0.3
218.08102	0.5
220.09727	0.3
220.16922	0.6
221.10677	1.2
222.09109	1.0
222.11472	0.5
222.18504	0.3
223.08519	0.8
223.12187	1.2
224.10654	1.5
224.13069	0.4
225.06700	0.2
225.10164	4.5
225.13811	0.3
226.08702	0.2
226.10745	1.2
227.08086	0.7
227.11771	0.8
228.08878	0.2
229.13467	0.2
234.09293	0.2
235.08661	0.3
235.12267	0.5
236.09184	0.7
236.16495	0.2
237.10161	2.7
237.13864	0.5
238.10927	2.1
238.17938	1.3
238.68074	0.2
239.08229	1.0
239.11751	8.9
239.18745	2.0
239.68927	0.6
240.08725	0.9
240.12350	1.1
240.19551	1.2
241.09680	1.7
241.13351	1.1
241.19920	0.2
242.10371	1.0
243.11249	0.3
245.12874	0.5
246.07564	0.2
248.09335	0.7
248.13295	0.2
249.10162	2.1
250.08540	0.9
250.10997	1.5
251.08035	0.8
251.11746	3.9
252.09033	1.6
252.12186	0.9
253.09688	5.0
253.13312	1.4
254.10356	1.0
255.11176	1.3
256.12051	0.6
257.09006	0.2
257.10028	0.2
257.12820	1.2
259.14383	0.3
262.11011	0.5
263.08096	0.2
263.11749	4.6
264.08875	0.6
264.12604	1.1
265.09720	1.2
265.13354	1.8
266.10464	0.7
266.13742	0.2
267.07922	0.4
267.11230	11.7
268.09381	0.3
268.11893	0.8
269.09760	0.3
269.12772	3.7
270.13467	0.5
271.10776	0.6
271.14407	0.9
273.12250	0.2
275.11606	0.2
276.08881	0.3
277.09705	0.9
277.13229	0.4
278.07974	0.4
278.10474	0.9
279.11227	9.1
280.08557	0.4
280.11920	0.9
281.09232	0.5
281.12747	3.2
282.10001	0.6
282.13580	0.8
283.10742	1.0
283.14380	0.5
284.11459	1.2
285.09177	0.2
285.12271	2.8
286.12897	0.3
287.05414	0.3
287.10794	0.2
287.13940	0.5
291.11200	2.3
292.12009	0.5
293.09534	0.2
293.12802	2.7
294.09814	0.2
294.13397	0.2
295.10736	5.8
295.14087	0.4
296.11588	1.5
297.12283	14.8
298.13098	1.2
299.10291	0.3
299.13831	5.6
300.14615	0.3
301.12036	0.2
303.04785	0.2
305.14902	0.3
306.07642	0.2
307.10754	0.4
309.12286	10.5
310.13055	1.0
311.10303	0.5
311.13806	5.6
312.14600	0.2
313.11774	33.9
314.12222	1.7
315.13400	1.4
316.14362	0.3
319.10767	1.5
321.12326	1.9
323.10324	2.3
323.13623	0.2
323.16324	0.3
325.11777	3.2
325.15433	0.3
326.12372	0.3
327.13263	1.2
328.14377	0.5
328.18298	0.1
329.14932	0.7
331.12698	0.2
337.11765	9.3
338.12601	0.8
339.10013	0.2
339.13348	4.5
340.14133	0.3
341.11273	10.3
341.14841	0.5
342.12207	0.7
342.15820	0.2
343.12991	0.7
343.16550	0.2
345.14517	0.2
355.12799	2.2
356.13956	0.3
356.17786	0.2
357.10089	0.2
357.14407	4.1
358.15332	0.2
359.12323	3.6
359.16641	0.3
369.14407	11.5
370.15057	1.0
371.15955	7.1
372.16684	0.7
373.13879	100.0
374.14243	3.9
384.17450	0.2
386.14694	0.2
387.15451	0.4
388.16727	0.3
398.14920	0.2
399.15814	0.2
401.13281	0.5
402.18127	0.3
406.17133	0.2
408.18698	0.2
414.18130	0.4
416.15469	0.3
416.20325	0.2
418.21548	0.3
420.19031	0.3
421.19785	0.3
422.20569	0.5
430.17749	0.3
432.19296	0.2
434.20859	0.5
436.22388	3.1
442.17560	0.2
444.19162	0.8
446.21005	0.3
448.18573	0.6
450.20120	0.7
458.17151	0.4
460.18674	1.2
462.20166	3.3
463.21182	0.2
464.17999	0.8
465.18582	0.2
466.19516	0.4
470.17120	0.2
472.18216	0.3
474.16464	0.4
475.35458	0.2
476.17804	1.4
477.36688	0.6
478.19968	0.7
478.37183	0.2
480.21207	4.1
481.21848	0.2
482.19125	1.8
488.17990	0.5
490.19797	0.3
494.18063	4.2
495.23361	0.5
506.19153	2.7
514.21735	2.4
520.20831	0.3
524.20172	0.9
526.21765	5.1
527.21570	0.3
538.21765	4.1
539.22180	0.3
583.25287	0.4
601.26465	0.8
619.27441	2.9
620.27393	0.3
627.24213	0.7
645.25531	1.5
646.25781	0.2
651.29822	0.9
659.26929	1.6
663.26843	1.3
677.27570	0.9
677.49127	0.2
695.29102	0.6
695.49866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01854	1.5
55.05504	9.1
55.97531	1.2
57.03413	3.3
57.07051	1.8
61.02919	32.7
64.80931	0.9
65.03909	1.2
67.05495	51.1
69.03406	3.2
69.07048	9.2
70.06573	1.6
71.04987	1.8
71.73820	1.5
72.70222	0.9
73.02911	12.4
79.05484	31.8
81.03412	2.2
81.07046	58.8
83.04980	1.1
83.08618	6.4
85.02894	40.1
85.06526	3.0
91.03943	35.0
91.05469	18.0
93.07033	42.9
95.04990	2.0
95.08593	45.8
97.02883	19.7
97.06509	2.9
97.10138	3.4
99.04438	1.5
99.08056	1.4
105.07008	12.5
107.08580	31.8
109.02861	1.5
109.10139	26.9
111.08099	1.6
113.09612	1.7
115.03902	2.3
117.06996	7.3
119.08571	14.2
121.10127	32.4
123.11700	14.3
127.03906	13.1
131.08559	17.4
133.10101	13.3
135.11670	25.4
137.09637	1.4
137.13211	6.8
139.11130	1.7
145.04945	19.8
145.10106	12.9
147.11671	11.4
149.13240	20.9
151.11179	2.7
151.14792	2.0
153.12790	1.4
159.11671	14.5
161.13240	10.9
163.06003	33.4
163.14818	16.2
165.12735	3.2
173.13245	12.9
173.71465	0.9
175.14795	4.2
177.12700	1.3
177.16405	6.4
179.14253	2.8
187.14810	10.4
191.14278	1.9
201.16338	2.8
205.15878	1.9
215.17790	1.4
233.22548	3.3
243.21062	35.3
253.92601	1.2
261.22107	100.0
262.22430	4.2
263.23666	2.4
279.23096	3.5
335.25711	19.7
336.26111	1.3
353.26816	69.5
354.27167	3.1
396.42883	1.0
497.30408	1.5
555.69012	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	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
53.78838	1.2
55.05505	9.3
57.03423	4.6
57.07069	4.2
61.02918	58.0
65.03940	1.4
66.84328	1.3
67.05494	49.5
69.03428	7.0
69.07051	9.2
69.45337	2.0
69.45741	14.4
71.04990	3.5
71.87498	1.3
73.02905	20.0
75.47227	1.3
79.05481	27.7
81.03386	2.5
81.07045	54.5
83.08604	5.4
84.04459	1.2
85.02891	66.2
85.06537	2.7
91.03942	67.9
91.05460	17.2
93.07030	46.4
95.04958	3.7
95.08591	44.3
97.02876	31.9
97.06516	1.7
97.10150	2.2
99.04447	3.9
99.08090	2.6
99.63026	1.4
105.07005	14.0
107.08575	32.0
109.02803	2.1
109.06480	1.5
109.10141	25.3
111.08127	1.8
115.03906	4.4
117.07006	7.9
119.08569	10.1
121.10126	27.9
123.11698	15.1
123.75766	1.3
127.03899	23.6
131.08545	17.2
133.10121	13.0
135.11662	23.0
137.09695	1.6
137.13261	5.8
142.93303	1.4
145.04936	32.9
145.10075	11.1
147.11685	9.5
149.13229	20.5
151.11211	1.8
151.14743	1.8
159.11664	12.2
161.13223	9.2
163.06003	71.0
163.14795	17.5
165.12788	1.8
173.13229	15.5
175.14793	4.0
177.16377	6.6
179.14302	2.6
180.46803	1.4
187.14871	8.5
191.14308	2.8
201.16447	2.9
204.08731	2.0
205.15819	1.9
233.22672	4.3
243.21034	30.2
261.22104	100.0
262.22321	1.8
263.23663	1.8
279.23209	3.0
335.25812	18.1
353.26828	57.9
354.27243	1.9
446.86496	1.7
497.30771	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	689.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76212	0.1
54.98872	0.2
55.01848	0.3
55.05256	0.2
55.05498	2.1
56.05009	0.5
57.03391	0.2
57.07036	0.2
58.06593	1.3
58.06841	0.3
59.04967	0.2
60.70506	0.1
65.03921	0.4
67.05495	3.2
68.05005	0.3
69.03382	0.5
69.07059	2.9
69.42884	1.9
70.06581	8.3
71.04970	0.4
71.18788	0.1
72.08112	0.6
79.05482	2.3
80.04992	0.5
81.03410	0.2
81.07043	4.5
82.06567	1.1
83.04964	0.2
83.08605	1.2
84.04472	0.6
84.08128	1.3
85.02866	0.7
85.06493	0.4
86.09698	1.4
87.00785	0.2
89.06013	0.7
89.30990	0.1
91.05457	1.5
93.05754	0.2
93.07029	2.5
94.06560	2.1
95.04926	0.5
95.07296	0.3
95.08589	3.3
96.07545	0.2
96.08118	3.6
97.02847	0.3
97.06464	0.4
97.10128	0.6
98.06014	0.3
98.09668	1.2
98.21486	0.3
99.04454	0.2
102.16219	0.2
105.07015	1.8
107.07303	0.7
107.08572	2.1
108.07397	0.2
108.08093	3.6
108.08829	0.2
109.02868	0.2
109.06465	0.4
109.08904	0.3
109.10114	1.6
110.06005	0.3
110.07125	0.5
110.09676	1.4
111.04395	0.3
111.08055	0.3
115.05441	0.2
117.06983	0.4
119.08572	1.2
120.08078	1.2
121.06482	0.1
121.08830	0.2
121.10105	1.0
122.03687	0.2
122.09639	1.8
123.08032	0.4
123.10410	0.4
123.11683	0.5
124.07568	0.2
124.11239	0.9
125.05901	0.2
127.03887	0.3
129.06982	0.4
129.10229	0.3
131.08528	0.6
133.06483	0.2
133.08553	0.4
133.10075	0.6
134.09645	0.3
135.08049	0.4
135.11650	0.4
136.07570	0.3
136.11147	0.5
137.05951	2.0
137.09567	0.5
138.09094	0.3
140.10655	0.3
143.08513	0.6
145.06381	0.2
145.10066	1.1
146.09625	0.2
147.11626	0.5
148.11227	0.3
149.09576	0.2
151.07449	0.2
152.07059	0.1
153.05447	0.2
157.10045	0.3
159.11646	0.3
161.13297	0.2
163.11153	0.2
163.14897	0.2
165.09106	1.8
170.11821	0.3
173.13249	0.2
175.07465	0.2
175.14857	0.2
176.14369	0.2
183.11592	0.2
187.07460	0.2
187.14803	0.3
189.09065	0.2
192.13863	0.2
192.17448	0.8
194.15395	0.2
194.19000	0.2
201.09038	0.2
202.15848	0.9
205.12016	0.2
211.14464	0.2
212.16360	0.2
217.15971	0.2
218.15416	0.7
220.16940	17.0
221.17319	0.5
221.20116	0.2
222.18500	11.5
223.18822	0.5
236.16388	0.4
238.17978	42.9
239.18382	1.7
239.21136	0.4
240.19547	39.2
241.19902	1.2
252.19667	0.2
256.19080	1.9
258.20624	0.4
283.17203	0.3
285.12518	0.3
301.11713	0.3
333.44919	0.1
337.08313	0.3
355.09128	0.5
371.22235	0.3
383.08682	0.3
401.09637	0.5
407.30023	1.3
459.35886	0.5
463.24829	0.2
475.35333	0.2
477.36819	100.0
478.37149	5.1
519.37787	1.2
537.38715	1.0
609.42804	1.4
627.43530	1.7
639.20416	0.2
657.21204	0.3
689.24597	0.2
689.38843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11910	0.4
53.34284	0.4
55.01838	0.6
55.05461	1.6
56.04993	0.7
58.06544	1.8
58.88739	0.4
65.03884	1.7
67.05485	3.1
68.04982	0.5
69.03374	1.8
69.07045	3.1
70.06597	11.8
70.06966	2.8
71.04942	0.8
72.08089	1.9
79.05476	3.2
80.04955	0.8
81.03350	1.3
81.07040	6.4
82.06532	1.1
82.07308	0.5
83.08556	1.4
84.04446	1.8
84.08136	3.0
85.02868	2.1
85.06494	0.5
85.47159	0.4
86.06018	1.0
86.09695	5.5
91.05452	2.1
92.04934	1.2
93.07048	2.6
93.07507	0.5
94.06545	5.8
95.04915	0.7
95.08562	3.5
96.08109	3.2
97.02850	0.8
97.06478	0.5
97.10139	0.6
98.05932	0.4
98.09628	0.8
105.01830	0.5
105.07013	2.1
107.07264	1.1
107.08567	2.1
108.04401	1.6
108.08099	3.6
109.02807	1.2
109.06456	0.8
109.08856	0.5
109.10091	1.0
110.07075	1.5
110.09622	1.4
118.06495	0.4
119.04852	0.5
119.08504	1.9
120.04401	1.1
120.08092	2.6
121.06453	0.5
121.10075	1.3
122.05953	1.7
122.09605	2.0
123.08006	0.8
123.11643	0.5
124.07504	0.6
124.11167	0.6
127.03864	1.1
129.06958	0.9
129.10143	1.6
130.02815	1.3
130.06471	0.8
131.08502	1.1
132.04358	0.8
132.08118	0.4
133.10098	1.0
134.05962	1.1
136.07544	5.5
137.05928	2.8
138.05481	16.1
138.09065	0.9
141.06882	0.5
143.08553	0.5
144.08057	1.0
145.08839	0.5
145.10071	0.7
146.05940	1.6
147.11626	1.1
152.03322	1.4
152.07016	0.9
153.06888	0.6
155.08446	0.7
155.14217	0.6
156.07999	0.8
157.10054	0.9
158.02350	0.6
160.03894	3.1
160.07483	0.7
162.05438	1.7
163.11127	0.7
165.09088	2.2
166.04987	4.0
166.06262	0.8
167.07224	1.5
168.08023	1.4
169.08797	0.6
170.08321	0.6
170.09590	1.1
172.07523	1.1
172.11156	1.1
176.03410	0.7
178.05061	2.1
180.06584	5.1
180.08044	0.8
181.07510	1.1
182.04503	0.6
182.08356	1.0
182.09621	1.9
183.09233	2.1
183.14877	0.5
184.07516	0.6
184.09859	1.4
184.11292	0.9
185.10674	1.9
185.13031	0.5
186.01831	0.7
186.12776	1.2
187.14726	0.5
192.06566	0.7
192.17422	0.6
193.07553	1.3
194.08334	1.7
195.09122	1.3
196.06212	3.2
196.09865	0.9
197.06998	0.7
197.10643	1.6
198.07703	1.2
198.09290	1.0
199.08493	1.1
199.12352	2.8
200.10664	0.9
201.10167	1.0
202.15839	0.6
204.02892	6.7
207.07048	0.6
207.09126	2.0
208.05995	0.9
208.09984	1.0
209.06956	2.3
209.10710	2.8
210.07443	0.6
210.09087	1.7
210.18462	0.6
211.08580	2.8
212.09299	2.2
212.10789	1.8
212.16449	3.1
213.10162	1.5
213.16687	1.5
214.08426	0.5
214.12276	0.6
215.08148	0.6
215.11731	1.5
218.15320	0.5
219.09108	0.7
220.16931	14.8
221.07080	2.7
222.03951	10.8
222.07808	1.9
222.18520	9.8
223.08569	3.2
224.05748	1.3
224.09244	0.6
225.10138	2.9
227.08081	1.7
227.11739	5.5
228.10339	0.5
229.09558	0.7
229.13300	2.6
235.08611	4.5
236.05528	6.6
236.09198	2.1
236.16412	0.9
237.06567	4.3
237.10170	4.9
238.07060	1.0
238.08852	0.6
238.17975	40.4
239.08122	5.0
239.11719	1.9
239.18692	1.8
239.21135	0.7
240.10045	1.7
240.19533	37.5
241.05927	0.6
241.09683	3.0
241.19922	0.5
242.06696	0.7
242.10326	0.7
243.11250	7.3
244.04723	0.6
245.09157	0.8
245.12836	1.9
247.08643	0.9
249.06494	2.1
250.07201	2.3
251.08139	5.1
252.08931	1.5
253.05948	0.8
253.09694	3.6
254.06691	0.9
255.11255	17.8
256.12051	0.6
256.18948	2.3
257.12799	23.3
258.11319	1.1
258.20758	0.6
263.08112	5.4
264.05362	3.7
264.08810	5.8
265.06079	1.5
265.09637	4.0
266.06879	1.8
266.10464	1.4
267.07571	7.3
267.11069	1.2
269.09131	3.3
269.11749	0.5
270.09946	8.0
271.10721	18.6
272.07904	1.9
272.11380	1.4
272.18475	4.5
273.08621	1.4
273.12335	2.7
273.18796	1.9
277.06073	2.7
279.07623	6.8
281.09152	2.0
282.06271	1.3
283.07086	3.8
283.10724	9.6
285.05087	1.8
285.08572	0.8
285.12173	2.3
291.07571	12.7
292.04785	6.0
292.07996	0.7
293.09152	4.3
294.06375	1.6
294.09552	0.5
295.07092	4.1
295.10352	0.9
296.07858	1.5
297.08667	6.3
297.11887	0.8
298.09293	1.3
299.10190	4.1
300.10974	1.9
301.11783	48.6
302.12103	1.2
303.13324	2.0
305.05521	6.9
307.07086	1.4
309.08673	6.0
310.05774	7.9
310.09412	9.8
311.06717	0.5
311.10190	9.7
313.08453	0.8
313.11682	1.1
315.09650	3.4
319.07089	3.5
319.12909	0.9
321.08676	2.8
323.06583	13.8
324.07071	0.8
327.09735	0.6
329.11285	0.9
337.08112	76.7
338.08441	2.6
339.09686	11.8
340.06787	1.3
341.07608	2.3
342.08389	4.0
347.06506	4.0
355.09183	100.0
356.09421	3.3
357.10736	6.8
365.07626	20.5
371.12344	1.9
383.08670	78.8
384.09171	3.7
401.09732	85.4
402.10275	2.2
408.19128	1.8
416.22745	0.5
418.17526	6.8
424.18649	0.8
436.18573	6.7
442.14032	1.2
454.19427	2.9
459.35498	0.7
460.21490	1.0
461.22073	1.7
462.16635	1.6
475.35001	0.7
476.14554	2.6
477.36810	94.5
508.17020	0.9
519.37683	1.1
553.20868	1.7
569.23645	1.2
571.22522	0.9
577.20502	2.5
585.23285	1.6
595.21765	8.5
596.21393	0.7
597.20313	0.5
603.18622	2.0
609.42468	1.4
611.21326	4.8
613.22736	7.8
621.09406	0.8
621.19696	17.1
622.19879	0.6
627.20575	4.3
627.43793	2.3
635.20996	0.9
639.20715	18.3
640.21344	0.8
643.24316	1.1
645.25098	0.7
653.22272	4.3
657.21783	14.1
658.22009	1.0
671.23645	3.6
689.24432	7.1
689.35779	1.1
690.25323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05497	4.4
57.07073	1.8
59.04985	2.9
65.03926	6.1
67.05489	9.5
69.03413	5.8
69.07051	7.4
70.06578	28.4
71.04967	3.6
71.06921	2.7
72.08138	6.8
74.06087	1.9
79.05473	6.7
81.03416	7.7
81.07053	14.7
83.04994	2.2
84.04491	3.9
84.08146	8.3
85.02888	9.4
85.06525	6.0
86.09685	24.8
87.10044	2.2
91.05468	5.7
92.04976	7.0
93.07033	8.1
94.06550	7.1
95.04932	5.6
95.08582	18.1
96.08926	2.3
97.02883	4.9
97.06519	3.0
98.21544	3.1
99.04414	2.1
99.08060	1.7
100.11338	1.5
105.01833	3.7
105.07022	7.6
106.06534	2.4
107.04908	1.8
107.07350	2.8
107.08568	6.7
108.04453	3.7
108.08096	2.4
109.02872	4.4
109.06508	2.1
109.10130	6.7
110.07117	3.3
111.04379	1.6
113.05990	2.3
116.10677	3.1
118.02884	2.0
119.08552	5.4
120.04439	7.3
120.08055	11.3
121.05213	3.4
121.06528	2.1
121.10117	6.8
122.06001	4.9
122.09657	1.5
123.08055	2.0
123.11677	3.1
127.03876	4.6
129.07001	3.0
129.10194	5.1
130.06572	1.9
131.08516	4.4
132.04399	2.6
132.08031	1.7
133.08537	1.6
133.10118	4.5
135.11717	2.8
136.07555	10.4
138.05479	17.9
138.09137	14.5
142.07765	3.0
143.08589	2.5
144.08043	2.1
145.10071	4.5
147.11668	2.5
148.03873	3.4
148.07607	2.4
149.02339	1.7
149.09509	1.8
149.13309	2.4
150.05487	2.3
151.07529	3.8
152.07048	21.5
152.10681	1.8
156.08078	1.7
157.10028	4.0
159.09209	2.8
159.11508	1.8
161.09595	7.0
162.05489	3.0
163.05037	3.6
165.06926	1.8
165.09091	9.4
166.04984	24.5
166.06361	3.0
168.08067	2.7
169.15869	4.3
174.09171	2.3
176.03459	2.0
178.04973	4.7
181.07484	1.9
182.08356	3.0
183.09216	4.2
183.15056	2.1
184.09816	1.9
184.11215	5.4
185.10759	3.3
186.12743	4.3
187.11057	3.8
188.10643	2.5
189.09108	3.8
191.08228	3.6
192.02892	8.8
193.07579	1.6
195.09129	3.1
196.06079	8.9
196.09866	2.9
197.06851	2.5
197.08476	2.0
197.10693	2.7
198.09212	2.2
199.08575	4.6
201.10181	4.0
201.14020	2.3
204.02975	1.7
205.12106	1.8
207.09250	1.8
208.05978	20.2
209.07127	5.7
210.07854	4.9
211.08633	11.0
211.12291	4.9
212.09409	10.4
212.10899	5.2
213.10193	11.0
213.13861	5.9
214.08859	2.0
214.12494	8.7
215.08292	1.6
215.11832	2.2
220.16937	7.3
221.07089	2.5
222.03973	2.2
222.07822	2.3
222.18451	2.5
223.08644	9.8
224.09322	3.4
225.06616	4.8
225.10182	7.1
226.08939	1.9
226.10870	2.5
227.08122	5.1
227.11707	5.9
228.08852	2.6
228.15984	3.9
229.09727	5.1
229.13300	11.8
229.15971	3.1
230.11821	7.6
234.03946	1.8
234.07732	2.4
235.08629	5.7
237.06535	20.6
237.10201	4.0
238.07260	5.0
238.17995	19.0
239.08130	48.6
239.11783	5.2
240.10210	5.2
240.19540	9.8
241.09709	5.6
241.13315	3.1
242.11668	6.2
243.11307	17.2
249.06564	3.8
250.07169	2.8
251.08125	12.9
252.04988	17.6
252.08768	3.3
253.09686	6.2
255.07407	2.9
255.11333	8.4
256.08270	3.0
257.09140	12.8
257.12766	24.5
259.14450	3.3
263.08075	4.3
264.08832	4.3
265.06058	3.4
265.09808	3.5
266.06717	1.6
266.10339	2.7
267.07574	16.6
267.11133	4.3
268.09747	2.7
269.09271	5.9
269.12875	2.2
270.09760	2.9
271.07886	2.5
271.10651	13.1
272.11517	50.6
273.12204	6.5
275.13882	1.8
277.06097	5.6
279.07657	5.3
281.09128	5.8
283.07104	33.7
283.10715	10.5
284.07672	3.2
285.09058	4.2
285.12259	58.0
286.12729	2.3
291.07468	6.2
293.09143	5.3
295.07065	6.0
296.07919	4.5
297.08609	11.2
298.09430	44.1
299.10220	14.0
300.11084	2.5
301.11789	69.2
302.12183	3.8
303.13370	34.6
307.07031	4.1
309.08615	19.7
311.06863	2.7
311.10168	12.2
313.08145	4.4
314.08975	2.0
315.09641	20.8
316.10336	2.4
323.06558	2.0
325.08112	8.9
327.09830	9.6
327.13309	2.2
329.11447	2.6
337.08246	13.7
339.09671	2.4
341.07675	2.7
341.11380	2.7
342.08411	59.7
342.12527	3.4
343.09222	21.5
343.12927	3.2
345.10806	4.4
353.07504	8.4
355.09174	20.1
369.10754	6.3
371.08466	3.3
373.10159	2.5
376.22116	3.1
381.07053	3.4
383.08612	6.2
387.11862	11.5
399.08054	4.1
401.09583	5.4
405.12842	2.9
405.32028	2.6
406.32098	2.2
417.09219	10.4
423.24649	3.8
431.10733	4.0
436.19052	2.8
438.20187	10.8
473.32278	1.9
475.34799	2.3
477.12152	1.6
477.36780	14.4
491.33981	2.7
506.16135	2.0
533.88287	1.8
536.16162	2.8
557.23804	2.0
567.22369	3.3
585.23230	3.1
595.21716	5.8
598.20288	1.6
611.21204	8.2
613.22455	5.0
621.19806	4.0
627.24475	4.3
639.20642	25.0
643.23859	22.8
644.23822	2.0
645.25433	24.0
646.26373	1.9
653.22150	5.8
657.21503	12.8
671.23370	100.0
672.23358	4.5
689.24316	50.6
689.35822	10.4
690.24103	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	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04284	1.4
55.01857	2.0
55.05494	4.6
59.04984	5.0
62.07714	1.3
65.03928	7.6
67.05491	8.5
68.05013	1.4
69.03413	6.4
69.07057	10.1
69.39138	7.3
69.39565	7.7
70.06580	34.6
71.04980	4.7
72.08141	4.9
75.07122	1.3
79.05479	6.2
80.04992	2.3
81.03402	3.5
81.07038	15.0
83.04974	2.5
83.08591	3.8
84.04491	2.9
84.08138	10.2
84.08927	1.4
85.02888	5.7
85.06530	3.6
86.06032	3.0
86.09694	17.3
87.00811	1.9
89.06015	2.1
91.05482	5.3
92.04980	4.6
93.07030	7.5
94.06519	7.9
95.04960	6.0
95.08584	16.7
96.08122	2.3
96.08918	1.7
97.02881	2.9
97.06496	1.8
97.10151	1.8
99.04456	1.5
105.07018	4.6
106.06542	2.0
107.08590	5.9
108.04475	4.7
108.08115	2.2
109.02867	2.8
109.06506	1.8
109.10138	7.6
110.07163	3.6
116.10720	2.8
117.06993	2.0
118.02853	1.5
118.46558	1.6
119.05022	1.6
119.08567	4.0
120.04471	10.3
120.08083	6.7
121.05252	4.4
121.06491	2.0
121.10094	7.3
122.06016	5.0
123.11669	2.1
124.07577	4.8
127.03909	5.5
128.47212	1.3
129.06992	1.9
129.10225	3.9
131.08545	2.8
133.08638	1.9
133.10129	5.4
134.05977	3.6
135.11685	2.6
136.07576	10.9
137.05942	2.1
137.09628	1.9
138.05487	27.6
138.09129	18.3
144.08087	1.9
145.10114	4.2
146.05971	1.5
147.11662	2.3
148.03954	5.9
150.05510	2.5
150.09138	3.4
151.07463	2.0
152.07039	32.6
154.08643	2.0
155.07262	1.7
155.14282	10.1
156.08028	3.4
156.14717	2.2
157.08842	1.9
157.10123	3.8
158.09607	2.2
159.08017	2.1
159.09195	2.2
159.11659	1.8
160.03882	1.6
161.09659	1.7
162.05437	1.4
163.05029	3.9
165.04251	2.8
165.09117	5.9
166.04971	29.3
166.06270	2.1
169.08755	2.6
169.15897	1.9
170.08401	2.4
171.10425	1.5
172.07657	1.6
172.09937	2.0
172.11293	2.0
173.09644	2.0
173.13185	1.9
174.09146	1.7
178.05003	5.9
180.06580	4.3
181.07637	1.8
183.05492	1.5
183.09201	5.1
183.14914	1.7
184.07658	1.9
184.09848	3.1
184.11226	5.1
185.10789	4.1
186.09138	1.8
186.12808	5.1
187.11087	3.1
188.10683	1.9
189.12770	1.8
192.02876	15.5
195.09068	3.5
196.06042	13.9
196.09962	4.7
197.10809	2.9
198.07716	2.8
198.09297	2.3
199.08694	5.0
200.09256	3.0
200.10869	3.4
201.10324	2.6
201.13916	1.7
204.02927	6.3
205.05930	1.5
208.06010	28.9
209.06985	2.4
210.07904	4.9
211.08626	14.0
211.12354	6.7
212.09377	8.3
212.10811	7.6
213.10191	15.9
213.13765	6.8
214.10565	2.8
214.12531	11.9
215.11810	2.8
220.16934	8.8
222.03932	15.1
222.18463	3.9
223.08592	3.2
224.05820	2.7
224.09428	2.9
225.06448	1.8
225.10243	4.8
226.08887	2.3
226.10835	1.7
227.08215	6.0
227.11801	4.5
228.08919	4.4
228.15932	1.5
229.09747	6.3
229.13277	13.2
230.11885	10.4
234.03989	4.2
235.08740	2.5
236.05525	3.2
237.06560	25.2
237.10187	2.5
238.07318	3.4
238.18001	16.3
239.08130	58.6
239.11829	6.0
239.18831	2.3
240.10536	7.4
240.12300	1.7
240.19559	11.8
241.09769	5.8
241.13336	2.0
242.11938	10.3
243.07735	2.3
243.11278	26.7
244.09790	2.9
251.08134	4.6
252.04991	28.5
253.09857	4.3
255.07629	4.0
255.11319	8.4
256.08401	4.9
257.09210	19.0
257.12878	30.7
257.15585	2.2
259.14511	3.4
260.12808	1.9
263.08121	1.8
265.06027	4.1
267.07697	7.8
267.11227	4.3
269.09158	8.8
270.09988	4.1
271.10733	18.9
272.11505	65.9
273.12399	8.7
275.13962	2.0
279.07513	3.1
281.09155	4.8
283.07178	52.0
283.10724	10.8
284.07779	3.6
285.08960	7.0
285.12280	100.0
286.09494	1.7
291.07730	2.8
293.05392	1.7
293.09128	3.2
295.07114	6.7
296.07959	3.5
297.08783	9.5
298.06116	2.1
298.06638	1.1
298.09445	50.4
299.10199	20.9
301.11789	69.2
302.12158	2.7
303.13342	54.0
307.07211	2.6
309.08762	4.5
311.07022	1.8
311.10358	4.8
313.11731	2.8
315.09714	30.9
315.13339	2.7
316.10593	3.8
317.11374	2.6
317.14993	1.6
319.07153	2.4
325.08041	11.5
326.08807	2.3
326.23068	1.6
327.09686	12.1
332.10095	2.8
337.08154	8.3
341.07556	1.9
341.11459	1.6
342.08423	89.8
343.09180	29.7
343.12897	3.6
345.10629	8.4
351.09784	2.6
353.07693	2.2
355.09125	10.2
356.09848	1.9
359.12286	2.1
363.06076	3.4
369.10727	8.8
371.08728	3.9
373.10422	3.0
378.18262	2.0
381.07111	4.1
383.08844	4.7
387.11801	15.9
399.08228	2.0
401.09668	7.0
405.12933	2.7
405.32123	3.2
406.32510	2.4
413.09906	3.5
417.09244	10.9
420.19431	3.2
423.24243	2.5
431.10800	4.6
436.18719	15.4
438.20212	15.8
441.33395	2.6
445.31180	1.7
454.19632	36.6
456.12091	3.2
474.12833	2.1
475.34995	2.6
477.36896	23.6
523.19598	2.4
524.16357	2.6
556.22992	2.5
557.24048	4.5
558.79315	1.6
585.23492	4.6
593.20227	2.2
595.21844	2.8
611.20966	6.9
613.22797	5.5
621.19366	3.6
627.24109	5.0
629.22699	2.9
639.20746	13.9
643.23901	26.2
645.25403	25.6
646.25201	2.0
653.22223	7.6
657.21777	15.6
671.23352	52.1
689.24408	65.9
689.36176	2.4
690.24628	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	689.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05500	2.3
67.05464	1.7
69.03440	3.3
69.07050	3.8
70.06583	9.2
72.08148	2.3
81.03410	2.4
81.07040	4.2
83.05010	1.7
83.08609	1.5
84.08120	3.3
85.02879	3.0
86.09698	5.8
93.07002	3.1
95.08607	3.5
97.10116	1.7
105.07027	2.7
107.08566	2.6
109.10192	1.7
110.07127	2.1
119.08516	1.6
120.08084	1.6
121.10186	2.0
127.03918	2.1
129.10258	1.7
130.02834	1.9
134.56000	1.4
136.07559	4.0
138.05472	3.0
143.08539	1.7
145.10162	1.9
160.03877	3.3
162.05510	2.5
165.09073	3.5
178.04987	5.8
180.06558	7.2
184.09856	2.4
185.36870	1.7
196.06242	3.8
197.08487	2.0
198.07729	1.9
199.08649	2.0
200.10657	3.1
204.02904	4.2
207.09105	2.4
208.09880	1.7
209.07133	2.2
209.10680	2.2
211.08655	3.3
211.12332	1.8
212.09084	2.2
212.10686	5.3
220.16939	1.9
221.07117	3.7
222.03981	13.0
222.07927	2.2
223.08727	3.1
224.09349	1.5
225.10249	3.0
227.08047	2.2
227.11761	5.1
228.10310	2.4
229.65274	1.7
235.08743	4.1
236.05626	4.4
237.06685	3.3
237.10268	6.5
238.18053	5.1
239.08121	5.5
239.11848	1.7
240.10320	12.1
240.19583	2.7
241.09900	2.8
241.13931	1.6
242.10481	1.8
250.07416	2.4
251.08168	4.5
253.09746	2.7
255.07906	1.8
255.11243	8.2
256.09616	2.5
257.12787	11.5
258.11246	3.1
263.08118	4.7
264.05252	2.6
264.08847	3.1
265.09851	2.9
266.10544	1.8
267.07629	9.0
267.10971	3.2
269.09183	4.9
270.09982	10.3
271.10828	2.5
272.08014	3.9
273.12454	3.4
277.06110	2.8
279.07681	6.7
281.09024	2.3
282.06235	1.9
283.07611	2.8
283.10651	10.5
285.05258	1.8
285.12338	1.7
291.07666	11.6
292.04990	3.0
292.07855	1.7
293.09253	4.1
295.07190	3.8
297.08618	4.8
299.10306	5.6
300.11044	3.1
301.11829	32.7
305.05569	5.6
309.08569	8.1
310.05823	7.4
310.09412	8.2
311.10184	9.8
311.86002	1.8
315.09799	2.7
319.07056	2.1
321.08731	2.9
323.06598	12.4
337.08136	54.1
338.08615	2.1
339.09729	17.7
341.07587	2.9
342.08557	2.7
347.06641	2.9
355.09198	91.5
356.09500	2.2
357.10916	9.2
365.07629	16.9
383.08698	94.5
384.08981	3.3
389.13312	2.2
401.09756	100.0
402.09998	5.4
405.24222	1.8
418.17499	6.3
424.69742	1.6
426.09268	2.7
436.18591	6.5
446.23770	1.7
491.34473	2.8
570.63159	2.0
577.20935	1.7
595.22015	2.3
596.20880	1.8
610.22034	1.9
621.20264	9.7
639.20599	16.3
653.22162	3.2
657.23407	2.1
671.23285	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	688.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01857	1.5
55.05503	38.9
57.03423	2.6
57.07067	19.3
59.04705	1.1
59.04991	15.1
61.02909	1.2
67.05495	4.8
69.03422	7.4
69.07058	44.7
70.01550	2.9
70.06577	4.3
71.04988	2.9
71.08622	5.7
72.08135	0.6
73.02914	1.6
77.14445	0.6
79.05483	1.2
81.03410	6.9
81.07043	13.1
83.04964	1.1
83.08605	100.0
84.04505	0.7
84.08133	1.4
85.02894	16.5
85.06537	1.8
85.10180	0.7
86.09702	2.5
87.00811	7.1
87.04459	1.7
89.06019	23.7
91.05463	1.3
93.07047	2.2
95.04971	1.3
95.08598	8.2
97.02879	6.0
97.10152	41.2
98.20840	1.1
99.04444	3.3
99.08079	1.5
101.09689	1.1
103.03896	1.0
103.07569	3.4
105.01842	5.6
105.07010	1.2
107.07056	1.8
107.08570	0.9
109.02864	7.4
109.06518	0.9
109.10142	8.5
111.04408	1.6
111.11694	4.3
113.09662	0.8
116.10738	0.6
117.01836	0.8
117.09103	2.9
119.08561	1.0
120.08126	2.9
121.06487	1.1
121.10124	1.5
123.11692	5.1
125.13214	3.5
127.03895	9.6
129.01808	0.6
129.10188	0.8
130.08655	0.9
131.07031	1.0
133.08589	14.8
137.13216	3.1
139.07607	0.6
139.14813	4.1
143.14322	0.8
145.04941	2.9
147.10144	2.0
151.09636	4.7
151.14789	0.9
155.14282	0.7
157.15886	2.3
159.02898	2.6
177.11232	7.7
178.05028	0.7
179.17920	3.5
183.17468	1.3
191.12738	11.0
191.14343	0.9
195.12265	6.3
197.18938	3.2
201.18536	1.9
205.14340	1.0
209.13806	7.1
211.08673	0.6
211.20612	1.6
213.41713	0.6
215.20013	8.1
220.17033	0.6
231.05037	2.3
235.15369	2.0
238.17972	0.9
241.21574	1.3
249.16927	5.6
253.16431	1.2
254.17285	0.6
255.23125	6.3
259.22699	1.5
267.18051	2.8
273.24271	1.8
289.09158	1.1
301.11908	0.7
312.08459	0.6
329.11420	0.8
347.28284	0.7
352.30600	0.6
355.09125	1.1
383.08420	0.8
401.09790	0.9
405.32065	78.3
406.32547	1.6
423.33096	32.2
473.32486	1.0
688.41144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58227	0.1
52.52641	0.2
53.03926	0.2
55.01846	0.3
55.05504	1.8
56.05016	0.3
57.03401	0.2
57.07058	0.2
58.06559	0.6
63.36878	0.1
65.03899	0.2
65.22088	0.2
67.05188	0.2
67.05494	2.2
68.04991	0.6
69.03377	0.6
69.03714	0.2
69.06737	0.3
69.07058	3.2
70.06581	7.4
71.04958	0.5
71.69753	0.2
72.08130	1.0
74.06059	0.2
79.05479	2.5
80.04985	0.9
81.03373	0.2
81.06596	0.2
81.07043	3.4
82.06554	1.1
83.04978	0.2
83.08587	0.7
84.04466	0.6
84.08138	1.1
85.02907	1.0
85.06522	0.4
86.06038	0.2
86.09693	2.1
91.05070	0.1
91.05463	1.4
93.05771	0.3
93.07025	2.3
94.06013	0.3
94.06556	2.6
95.04944	0.8
95.07321	0.2
95.08073	0.2
95.08591	2.2
96.08115	4.1
97.02887	0.2
97.06477	0.3
97.10130	0.6
98.09662	0.3
100.02200	0.2
103.05426	0.3
105.07034	1.3
106.06520	0.3
107.04952	0.3
107.07323	1.5
107.08569	2.5
108.08102	5.1
109.06472	0.3
109.08884	0.9
109.10116	1.0
110.07111	0.3
110.09666	1.6
111.04397	0.4
111.08073	0.3
116.62400	0.2
117.06979	0.4
119.08559	1.1
120.08078	2.1
121.06510	0.4
121.10198	0.8
122.09636	3.0
123.08063	0.2
123.10426	0.4
123.11663	0.3
124.11171	1.2
125.05975	0.4
127.03878	0.5
129.06862	0.3
129.10205	0.5
131.04861	0.4
131.08536	0.5
132.08063	0.3
133.10123	1.9
134.09589	0.5
135.08006	0.3
135.10452	0.2
135.11632	0.5
136.07544	0.5
136.11150	0.6
137.05956	2.4
137.09590	0.9
138.09071	0.2
141.06859	0.2
143.08546	0.5
144.08051	0.2
145.06348	0.2
145.10083	0.8
146.02634	0.2
146.09612	0.2
148.11116	0.2
149.05923	0.2
149.09521	0.2
149.13216	0.4
151.03864	0.3
151.07536	0.2
152.10686	0.2
159.11594	0.2
161.09592	0.3
163.11179	0.4
170.11774	0.5
173.13145	0.2
174.12682	0.4
176.14285	0.3
181.04973	0.2
183.89017	0.2
190.15846	0.6
191.06952	0.6
191.14284	1.6
192.17424	1.0
202.15869	1.2
212.16391	0.3
218.15370	2.2
219.18507	0.5
220.16928	25.8
221.17245	0.5
222.14874	0.2
222.18542	2.5
229.11882	0.2
236.16414	1.9
237.19435	0.8
238.17979	53.8
239.18465	1.3
240.19550	9.5
241.21675	0.4
252.19214	0.2
256.19058	3.3
258.20654	0.4
263.16339	0.4
270.16989	0.3
309.27884	0.5
371.22305	0.3
457.33725	0.2
475.35242	100.0
476.35516	3.2
477.36548	0.3
493.16562	0.2
499.35294	0.3
517.36243	2.0
535.37469	2.0
607.40961	3.1
608.40393	0.2
625.42017	3.2
687.41632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05033	0.3
57.03439	0.2
60.04508	0.4
65.03915	0.3
67.05479	0.9
68.05011	0.5
69.03410	0.7
69.07057	0.7
69.35950	0.2
70.06583	100.0
71.04975	0.8
71.06921	1.0
71.69955	0.2
72.08153	1.6
74.06065	0.4
79.05477	0.8
80.04989	0.3
81.03406	0.3
81.07038	1.1
82.06574	0.4
83.04964	0.3
84.04488	0.9
84.08140	2.3
85.02908	1.4
86.09696	13.7
87.04459	0.3
87.05581	0.3
87.10043	0.3
88.03976	0.3
91.05464	5.6
93.07017	0.9
94.06574	0.4
95.04960	0.4
95.08592	0.7
96.08131	0.4
97.02877	0.3
97.06507	0.3
97.10143	0.3
98.09679	0.3
101.07143	0.3
102.05531	0.3
103.05460	0.7
105.07011	0.9
106.04999	0.3
106.06552	0.3
107.04949	0.8
107.07336	0.2
107.08590	0.7
108.08116	0.8
109.02867	0.3
109.06509	0.5
109.10145	0.4
110.07169	1.1
110.09658	0.3
115.08685	0.6
116.03436	0.2
116.07088	0.4
118.06527	0.4
119.04926	3.9
119.08588	0.3
120.08090	29.9
121.06528	0.5
121.08370	0.5
121.10114	0.4
122.09631	0.5
124.11240	0.3
125.10763	0.6
126.05509	0.2
127.08662	41.4
128.07057	0.4
128.08989	0.4
129.10210	1.3
130.04942	0.2
130.06519	0.6
131.04910	0.3
131.08479	0.2
132.08069	0.9
133.10147	0.4
135.11647	0.2
136.07561	42.4
137.05946	0.6
137.06921	0.2
137.07933	0.7
138.05482	0.5
138.09122	0.4
141.10194	0.3
143.04488	0.3
143.11797	0.4
144.08067	0.2
145.04973	0.3
145.10101	0.4
146.05966	0.3
147.04398	0.6
147.07877	0.2
148.07544	0.9
149.05984	0.3
149.13150	0.2
153.10184	0.9
155.08133	32.2
156.08534	0.2
159.09171	0.3
159.11696	0.3
159.87070	0.2
160.07491	0.2
162.09006	0.2
163.03918	0.2
163.07513	0.2
164.07042	0.5
166.08661	0.6
169.09735	0.5
171.11320	0.2
172.10867	0.4
175.07472	0.2
176.07072	0.2
181.09702	3.6
183.15015	0.3
188.14268	1.0
195.14941	0.5
200.14227	0.2
204.13866	0.8
205.09781	0.2
207.11407	0.3
208.16890	0.2
211.14355	0.3
212.38615	0.2
214.08501	0.2
217.13339	15.5
218.13580	0.3
218.15456	0.8
220.16995	1.3
222.18571	0.5
223.14413	0.4
225.10202	0.2
229.13271	0.2
235.10793	1.9
236.16536	0.9
238.12337	1.0
238.17999	2.8
239.18694	1.1
239.68878	0.3
240.19557	2.3
240.69592	0.2
243.11237	0.3
245.12831	5.9
249.15948	6.6
250.15707	0.5
253.09528	0.2
253.11807	4.9
254.17500	0.8
256.19159	0.3
258.14859	0.3
262.15530	0.3
263.13947	0.4
267.11282	0.2
272.18478	2.0
273.12173	0.3
274.12299	0.3
274.15433	2.9
277.15451	2.2
284.13565	0.2
285.12500	0.3
286.14563	0.2
287.05371	0.2
289.15503	0.5
296.10837	0.4
296.16031	0.8
299.13940	0.2
302.14935	11.0
312.15866	0.4
313.11774	0.6
314.12122	0.3
316.16000	0.3
318.14294	0.2
332.15948	1.8
334.17633	1.2
342.04422	0.2
350.17072	17.1
351.16992	0.3
351.20779	0.5
360.15497	0.3
371.17020	0.6
373.14056	0.4
379.20087	0.7
387.23767	0.7
389.18130	3.4
394.18356	0.4
397.22229	0.4
403.23340	0.6
407.19208	32.0
408.19434	1.2
415.23471	0.6
424.22104	0.3
431.22760	0.4
437.21945	0.4
450.20209	0.5
465.21432	0.6
475.35123	0.3
476.17914	0.6
477.36987	0.6
489.36868	0.2
491.34705	1.0
494.19751	0.4
497.31558	0.3
505.28159	0.2
508.20343	0.3
520.27545	2.2
529.23566	0.3
530.25903	1.7
533.27277	0.6
550.30200	4.3
551.30859	0.2
560.28754	0.6
578.29626	5.9
579.30432	0.2
633.25409	0.3
647.35303	2.4
665.34106	3.2
683.33911	17.4
684.34418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.05504	8.1
57.03415	4.9
57.07056	2.3
57.14920	1.5
61.02917	28.2
61.32410	1.5
67.05495	45.8
68.05052	1.5
69.03402	3.6
69.07059	8.8
69.58994	9.7
70.06567	2.4
70.36263	1.4
71.04998	1.7
73.02900	12.7
75.04460	1.5
79.05483	32.9
81.03409	2.2
81.07043	54.1
83.08589	5.1
84.12276	1.5
85.02888	37.7
85.06518	2.7
91.03941	33.7
91.05457	18.2
93.07030	50.3
95.04953	2.8
95.08588	52.3
95.95334	1.4
97.02870	18.1
97.06503	2.4
97.10168	2.9
99.04404	2.2
99.08064	2.9
105.07004	15.9
105.42188	1.6
107.08578	35.5
109.10136	32.1
111.08038	2.6
113.09640	2.6
117.06972	6.9
119.08556	15.1
121.09326	2.8
121.10127	30.4
123.11675	13.2
127.03912	10.7
131.08534	15.6
133.10109	15.1
135.11664	29.5
137.09601	3.5
137.13190	4.1
139.11136	2.6
145.04924	15.9
145.09056	2.2
145.10103	18.5
147.11668	14.3
147.81932	1.4
149.13232	22.3
151.11168	3.5
153.12703	1.8
158.50127	1.5
159.11658	17.2
161.13232	5.3
163.06001	27.3
163.14801	8.7
165.12709	3.8
173.13181	12.4
187.14807	5.8
201.16428	2.0
205.15933	1.5
219.21022	4.0
229.19461	44.2
240.19714	2.2
247.20537	100.0
248.20851	1.8
265.21542	3.2
321.24188	17.4
339.25238	69.1
354.18314	1.9
519.37634	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	679.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
60.04492	1.3
65.03944	1.2
67.05480	2.9
69.03400	1.7
69.07051	2.2
69.45996	1.2
70.06580	20.7
70.29516	2.9
70.29906	2.7
72.08128	5.2
75.98693	1.3
79.05473	5.0
80.05015	1.8
81.07018	2.4
82.06544	3.6
84.04478	2.2
84.08134	6.8
85.02877	2.1
86.09694	11.7
91.05453	4.5
93.05798	1.6
93.07025	5.3
94.06545	10.0
95.04929	2.6
95.07338	6.1
95.08601	2.6
96.08120	16.6
97.06490	2.9
100.11241	3.6
102.05560	1.3
105.07006	1.6
106.06535	7.6
107.07317	2.3
107.08546	1.9
108.04482	2.9
108.08097	24.7
110.06023	2.4
110.09664	21.5
115.47700	1.1
119.34283	1.1
120.04448	4.5
120.08093	25.0
121.06501	1.5
122.06022	10.6
122.08830	2.3
122.09645	26.4
124.07582	12.2
127.03925	1.9
129.10196	2.6
132.08057	1.7
133.10115	2.2
134.05960	3.0
134.09651	2.8
136.07567	38.5
138.05556	1.9
138.08095	2.3
138.09120	36.5
140.07011	2.4
144.04469	3.9
144.08037	1.8
146.05988	26.5
146.09654	2.0
148.07567	13.8
150.05534	2.4
150.09145	9.4
152.07065	17.5
152.10725	1.4
155.08176	1.6
158.05992	1.6
160.03955	1.5
160.07558	1.7
162.05481	4.9
164.07037	20.9
166.08620	84.7
168.06467	2.4
172.03906	18.6
174.05571	1.6
176.07104	4.3
182.08087	1.6
182.15331	1.8
186.05499	1.3
190.04959	20.8
192.06560	2.7
197.10732	4.2
198.11461	4.0
204.06541	25.0
206.08165	1.3
207.09116	1.6
209.10721	3.3
210.11504	7.1
210.14871	1.9
210.76231	1.4
211.08676	4.0
211.12271	10.8
212.09370	2.7
212.13046	2.3
213.10257	2.6
215.11888	1.6
218.08131	3.9
220.09735	2.3
220.16872	3.1
221.10612	1.8
222.09215	1.4
222.11383	2.8
223.08829	1.3
223.12247	7.8
225.10208	9.8
225.13843	3.8
226.10872	6.7
227.11716	5.6
229.13347	1.9
235.08614	2.9
235.12352	2.7
236.09396	4.0
237.10202	10.4
237.13797	3.4
238.10872	10.5
238.17955	7.3
239.11789	19.9
240.12396	3.8
240.19579	3.9
241.09773	2.4
241.13318	2.7
245.12907	1.7
248.09373	4.2
249.10156	13.6
250.10909	11.4
251.08095	1.5
251.11798	23.2
252.08946	2.4
252.12566	5.3
253.09634	7.1
253.13287	11.0
254.10622	1.7
255.11235	4.3
256.12039	2.7
257.12820	5.4
259.14377	2.1
263.11755	36.5
264.08792	5.3
264.12491	7.8
265.09708	8.9
265.13293	16.6
266.10492	4.8
267.07285	1.4
267.08188	1.6
267.11270	19.7
268.11829	3.5
269.12833	11.4
270.13538	1.7
271.14468	6.6
273.12311	4.6
273.15863	1.8
275.11407	1.5
277.09741	5.3
277.13055	1.6
278.10443	5.2
279.11237	45.1
280.11743	3.4
281.12793	17.8
282.09955	2.2
282.13400	2.9
283.10760	5.9
283.14316	3.4
284.11456	7.4
285.12305	21.7
286.12909	1.5
287.13910	5.2
289.15369	1.5
291.11255	27.7
292.11945	5.7
293.09531	2.6
293.12769	27.3
294.13263	2.8
295.10703	10.2
295.14066	2.4
296.11404	4.5
297.12286	64.8
298.12921	9.3
299.13861	28.5
301.15387	17.9
301.18546	1.9
304.08301	1.7
305.14941	3.8
307.10724	3.3
309.12305	49.7
310.12793	5.4
311.10236	4.8
311.13858	21.9
313.11835	25.3
313.15283	2.9
314.12201	1.6
315.13327	22.6
319.10709	17.4
321.12158	8.9
323.10358	9.8
323.16086	5.4
325.11795	34.1
325.15411	2.7
326.12411	3.0
327.13348	4.3
328.14655	2.5
337.11768	100.0
338.12250	5.3
339.13434	12.4
341.11331	13.3
343.12930	5.2
346.19168	2.3
351.13159	1.7
355.12869	5.2
356.13651	2.3
357.14468	10.7
358.15381	1.9
359.16287	1.9
362.18625	1.6
369.09897	2.1
369.14435	34.7
370.15140	3.4
371.16003	21.0
372.16718	2.3
373.13928	45.3
374.14386	8.4
374.18433	1.6
375.14822	1.7
384.12784	1.8
387.15448	2.5
390.17984	2.0
398.14792	3.0
399.15683	2.6
401.13379	10.3
402.18063	2.3
404.19754	2.2
416.15768	2.6
422.20871	1.9
430.17438	3.5
432.19113	4.6
438.19794	1.4
440.16064	1.6
444.19141	3.6
446.21371	8.7
448.18393	2.4
449.19119	3.7
450.20062	6.7
458.16986	4.9
462.20334	9.0
464.21967	62.5
465.22171	4.3
466.23770	1.8
472.18408	3.6
476.18240	8.3
478.23648	1.6
482.19415	6.3
490.19693	89.8
491.19925	5.2
492.20905	2.5
494.19122	12.5
508.20749	11.1
514.21741	4.2
522.22327	65.1
523.22607	6.3
526.21759	9.2
587.24933	3.0
593.23785	2.2
603.28162	5.9
611.24762	10.1
629.26172	18.1
647.27032	41.8
648.27197	4.1
661.28229	4.0
679.29510	10.5
679.50726	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	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01865	1.1
55.05258	1.0
55.05508	12.2
57.03436	6.4
57.07062	3.7
61.02920	16.9
63.19960	0.7
65.03940	1.7
67.05497	69.6
69.03419	2.9
69.07058	13.3
70.06585	1.1
71.04986	2.2
71.08616	1.6
71.69693	0.7
73.02898	5.8
75.04462	0.9
76.64841	0.7
77.87438	0.8
79.05485	39.3
81.03404	1.9
81.07047	75.7
83.04952	1.4
83.08599	7.7
85.02896	19.6
85.06537	2.3
91.03938	17.9
91.05464	18.4
93.07031	51.2
95.04957	2.6
95.08595	60.8
97.02885	9.5
97.06530	4.1
97.10171	3.4
99.04441	1.0
99.08089	2.9
101.87514	0.8
103.03876	1.0
105.07008	16.3
107.08582	34.9
109.06531	1.0
109.10146	37.6
111.08078	2.2
113.09616	1.5
117.07013	6.9
119.08565	15.8
121.10130	32.9
123.08086	1.4
123.11697	18.9
125.09617	2.2
127.03894	6.7
131.08551	19.9
133.10121	15.1
135.11681	27.1
137.09586	2.1
137.13239	7.4
139.11098	0.9
145.04953	8.7
145.10094	15.4
147.11658	9.3
149.09590	1.0
149.13245	22.5
151.11154	2.4
151.14810	2.7
153.12665	1.2
159.11685	12.6
161.13261	11.1
163.05995	12.2
163.11182	1.8
163.13541	1.6
163.14796	14.2
165.12842	1.8
173.13240	16.6
175.14799	4.3
177.12674	1.8
177.16357	5.7
179.14325	2.6
187.14778	6.8
191.14365	1.5
201.16359	2.3
205.15872	2.5
215.17935	1.6
219.17584	2.2
229.42671	0.9
233.22668	3.0
243.21048	31.5
261.22110	100.0
262.22507	3.0
263.23734	1.5
279.23248	5.3
280.32858	0.8
317.24774	1.7
335.25742	31.8
336.25949	1.1
353.26828	43.3
354.26974	1.6
432.12192	0.8
461.29034	0.9
479.30048	1.0
497.31030	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	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01839	1.1
55.05248	1.0
55.05498	11.0
56.97849	0.8
57.03429	5.0
57.07071	3.8
61.02916	25.0
62.01092	0.7
65.03922	2.7
67.05493	62.4
68.05847	1.0
69.03410	3.3
69.07058	11.4
69.60776	4.9
69.61185	1.6
70.06584	1.4
71.04972	3.4
71.08612	1.0
73.02905	9.4
75.04457	0.8
79.05483	36.1
80.06302	0.7
81.03408	1.8
81.07046	73.1
82.07381	1.0
83.08606	7.1
85.02889	29.3
85.06529	3.1
87.60304	0.7
91.03941	26.7
91.05465	20.2
93.07032	51.5
95.04946	3.9
95.08591	53.6
97.02874	13.1
97.06503	3.6
97.10144	2.8
98.20795	1.4
99.04446	1.9
99.08060	2.9
105.07011	18.8
107.08580	34.2
108.08891	0.8
109.02853	1.1
109.06506	1.8
109.10144	32.1
111.08065	1.8
111.11697	1.8
115.03901	1.7
117.07006	8.7
119.08559	15.4
121.10124	33.4
121.11005	1.6
123.08015	1.5
123.11688	17.8
125.09593	1.6
127.03915	9.7
129.07016	1.2
131.08554	18.3
133.10103	13.8
135.10652	1.4
135.11673	27.6
137.09549	2.3
137.13255	6.3
139.11140	1.0
145.04941	13.5
145.10107	14.9
147.11676	12.0
149.13229	22.3
151.11168	2.2
151.14795	2.5
153.12706	1.7
159.11679	14.9
161.13243	10.8
163.05989	22.0
163.14799	15.9
165.12741	1.8
173.13232	16.8
175.14806	4.1
177.12730	2.3
177.16385	5.2
179.14281	3.0
187.14824	11.5
189.16454	1.4
191.14301	1.6
201.16359	3.6
205.15802	2.1
215.17891	1.5
219.17459	1.7
233.22626	4.4
243.21051	32.5
244.21429	0.8
261.22107	100.0
262.22388	3.8
263.23727	1.5
279.23190	3.6
335.25757	18.0
353.26804	37.4
354.27136	1.3
387.25159	0.9
405.26144	1.0
419.27631	1.0
479.29919	2.3
485.30685	0.8
497.30911	3.3
617.22028	1.8
645.21429	1.4
661.25177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.7
57.03434	7.3
57.07069	5.2
57.52875	3.3
61.02926	30.8
65.88586	3.5
67.05498	73.5
69.03419	8.4
69.07056	12.7
70.06593	4.8
71.04987	3.5
71.59012	7.2
73.02907	14.0
76.12227	3.4
79.05482	44.9
81.03407	6.7
81.07053	76.2
83.08611	9.3
85.02896	41.1
86.09675	3.8
91.03927	34.1
91.05479	27.4
93.07032	64.6
95.04951	7.3
95.08591	78.5
97.02892	16.0
97.06519	4.3
97.10172	4.5
105.07034	22.8
107.08572	48.0
109.10145	36.7
117.07016	6.9
119.08542	21.4
121.10135	37.2
123.11691	13.8
127.03948	16.2
131.08583	26.2
133.10078	17.3
135.11678	28.8
137.13202	8.0
143.08488	3.7
145.04916	22.6
145.10114	19.9
146.08096	14.1
147.11711	16.9
149.13263	23.9
151.11240	4.0
159.11661	17.4
161.13266	12.8
163.06000	33.7
163.14822	21.3
173.13278	16.9
175.14772	5.3
177.16374	5.4
179.14299	4.3
187.14807	12.3
193.04926	6.0
233.22417	4.7
243.21063	36.3
256.26349	12.3
261.22098	100.0
335.25812	22.0
353.26816	48.3
448.84552	3.8
497.30923	7.1
515.52368	3.4
677.37000	17.8
677.53845	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	677.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00580	0.2
57.91391	0.1
62.27512	0.2
69.53615	1.1
69.54039	0.3
70.06528	0.2
70.69445	0.2
70.92278	0.1
86.09676	0.2
86.61890	0.2
93.86749	0.1
95.09678	0.2
185.04155	0.6
203.05159	0.2
256.26151	0.3
259.07980	0.3
347.09381	1.3
421.12708	0.3
431.78107	0.2
515.31866	25.9
516.32220	1.9
677.37061	100.0
678.37445	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	677.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.0
55.01860	3.7
55.05488	3.0
55.06591	0.8
55.80972	0.8
56.05023	1.5
57.07100	0.8
65.03914	1.9
67.05474	3.7
69.03423	1.5
69.07052	5.5
69.53712	7.4
70.06577	22.4
71.04984	1.5
72.08145	5.4
79.05470	2.4
80.04999	1.5
81.03407	1.7
81.07040	5.2
82.06593	0.9
83.08603	1.5
84.04496	2.7
84.08125	3.5
85.02881	3.9
85.08427	0.9
86.09692	12.7
87.05599	2.1
91.05469	4.7
92.04980	1.8
93.05779	1.6
93.07013	6.1
94.06561	5.0
95.04935	3.7
95.07358	1.1
95.08562	4.5
96.08104	1.9
97.02869	1.1
97.06551	1.1
97.10199	1.1
98.20680	1.5
99.04456	1.2
102.05523	1.6
103.03933	1.3
103.05451	1.6
105.07007	2.6
106.06523	1.8
107.07352	2.4
107.08582	2.3
108.04469	1.7
108.08105	21.1
109.02849	1.2
109.10133	1.6
110.06002	1.7
110.07137	2.8
110.09681	4.7
112.70826	1.0
118.06517	2.2
119.08585	1.6
120.04465	2.1
120.08081	15.6
121.10108	2.5
122.06031	2.1
122.09648	6.4
124.07619	1.2
127.03870	1.7
129.10226	2.4
131.08525	1.4
132.08073	1.5
133.08554	1.0
133.10117	1.9
134.06027	1.7
136.07558	86.3
137.06030	1.1
137.07907	1.8
138.05498	1.7
138.09109	13.6
144.08075	1.3
145.10072	2.1
146.05971	1.7
147.07704	1.2
147.11627	1.5
148.07547	15.2
149.13231	1.0
150.05446	1.7
150.09169	1.1
151.07468	1.1
152.07010	6.3
153.09044	1.0
155.08218	0.9
157.10033	0.9
159.09134	1.6
160.11130	1.5
162.05452	3.6
162.09142	1.0
164.07042	28.7
165.09145	1.0
166.04964	2.2
166.08607	23.0
166.09930	1.8
168.06609	1.1
168.08058	1.0
170.09586	0.9
172.04015	1.2
173.09579	1.2
174.05489	1.0
174.09180	2.0
178.04962	8.2
180.08005	1.0
182.08109	3.4
182.09592	1.5
183.09140	1.5
184.07526	1.3
186.09096	1.0
187.11087	1.1
188.03404	6.3
188.07042	1.0
192.06389	1.0
194.08116	1.1
195.08949	1.3
196.06004	4.4
196.07724	1.0
196.09735	1.9
197.07060	13.4
197.10770	3.1
199.08638	1.9
199.12154	1.4
204.06520	1.7
208.11064	1.1
210.07735	1.8
210.11411	2.3
211.08656	12.4
211.12190	1.7
212.09396	2.4
213.10175	3.4
220.16969	2.9
222.03906	1.5
222.18434	1.3
223.08591	2.8
224.09459	3.6
225.06567	19.1
225.10110	11.8
225.13846	2.4
226.04970	0.9
226.08783	1.5
226.10841	1.9
227.08118	4.0
227.11732	2.9
227.15344	1.3
229.09750	1.3
229.13374	1.6
235.08745	0.9
237.10236	2.7
238.10855	2.0
238.18008	6.2
239.04482	1.7
239.08116	27.5
239.11650	5.0
239.18628	1.8
240.08813	2.5
240.12520	3.7
240.19557	3.5
241.09715	4.5
241.13318	6.6
241.20013	1.2
242.10345	2.1
242.14140	2.1
243.07564	2.3
243.11412	1.1
243.14752	2.5
243.17009	1.5
245.05396	1.2
245.12862	2.0
249.10094	1.1
251.08110	2.5
251.11775	2.7
252.08873	1.8
253.06032	3.7
253.09679	17.5
253.13458	5.4
254.11966	1.9
254.16727	0.9
255.07651	4.5
255.11325	5.3
255.14906	2.7
256.12100	1.1
257.05392	0.9
257.06595	1.2
257.09198	11.2
257.12845	2.2
263.08127	1.6
265.09647	3.4
266.10394	1.6
267.07611	26.3
267.11145	5.5
269.09238	4.2
269.12701	3.3
271.07529	1.3
271.10764	7.5
271.14346	12.0
273.08658	2.1
273.11865	0.8
273.13031	1.5
273.15939	14.6
281.05554	5.9
281.09140	24.6
281.12799	11.7
283.10568	6.3
285.08679	4.6
285.12271	8.3
287.13690	3.0
289.15408	1.9
291.07751	1.3
293.09061	3.5
295.07050	5.8
295.10660	7.4
297.08966	1.8
297.12241	3.4
299.06610	2.6
299.10181	11.9
299.13852	14.0
301.11865	2.4
303.13281	3.7
309.08643	43.9
311.10202	14.9
313.08246	2.0
313.11765	9.9
315.09698	1.1
315.13132	1.8
316.14102	1.0
317.14450	1.2
321.08749	1.2
323.10117	1.8
325.11627	1.6
327.09695	57.4
328.10049	1.3
329.11188	6.5
331.09140	1.0
331.12857	1.5
337.08109	12.2
339.09702	2.0
341.11261	4.0
345.10727	8.0
345.14355	1.5
346.15475	1.3
347.12329	2.7
355.09164	65.5
356.09390	1.3
357.10593	1.5
357.14740	1.3
359.12393	1.5
361.13953	3.1
363.15732	1.6
369.10754	6.9
373.10141	42.8
373.14059	5.0
374.14795	1.5
376.16501	1.0
387.11813	100.0
388.12277	1.6
388.16693	1.3
389.13339	2.6
390.18051	1.9
408.19339	1.3
416.15924	1.3
420.19104	3.8
432.19040	4.6
436.18564	1.4
444.15463	1.1
446.17105	2.5
448.18280	1.2
458.16953	3.2
462.16592	1.3
464.18085	13.3
475.35535	1.4
476.18066	14.1
478.19498	2.1
482.19092	1.4
488.18320	1.3
496.20551	9.5
508.20889	5.6
545.23297	1.6
565.23999	1.5
567.22449	1.6
583.25201	8.1
585.22931	1.7
601.26837	4.3
609.23328	5.1
615.27698	2.5
627.24414	42.3
628.24945	2.1
633.28107	1.9
641.25592	3.0
644.23370	1.0
645.25555	6.5
659.26874	14.8
659.37415	1.3
660.23541	2.2
677.27228	4.1
677.38770	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	675.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84075	0.5
60.83869	0.5
69.45467	3.4
69.45886	1.6
85.02900	0.5
185.04185	1.2
193.04994	0.5
238.18018	0.5
347.09589	1.5
430.12292	0.9
513.30316	18.8
514.30682	0.7
576.66010	0.5
637.61951	0.5
675.35522	100.0
676.35352	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	675.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14497	0.1
52.04818	0.1
55.01850	0.2
55.05273	0.1
55.05501	1.4
56.05007	0.4
57.03402	0.2
57.07048	0.1
58.06590	0.9
67.05492	2.1
68.04987	0.3
69.03375	0.2
69.06734	0.2
69.07055	1.8
70.06582	6.8
70.59315	0.3
71.04964	0.4
72.08141	0.7
79.05064	0.2
79.05481	2.1
80.04976	0.4
81.03372	0.2
81.07043	3.4
82.06568	0.9
82.41943	0.1
83.04963	0.2
83.08614	0.6
84.04465	0.4
84.08128	1.1
85.02879	0.3
85.06512	0.2
86.09707	1.0
87.09988	0.2
91.05450	1.0
91.60163	0.1
93.07033	1.7
94.06544	1.6
95.04922	0.3
95.07332	0.3
95.07982	0.1
95.08595	3.0
96.08119	3.1
97.06514	0.2
97.08891	0.1
97.10121	0.3
98.06052	0.1
98.09679	0.9
99.08023	0.1
102.05499	0.1
103.05461	0.1
105.07014	1.1
106.06518	0.2
107.04893	0.1
107.07342	0.6
107.08567	1.3
107.96365	0.1
108.08101	3.1
109.02854	0.1
109.06449	0.2
109.08859	0.4
109.10147	0.8
110.07132	0.2
110.09666	1.1
111.04394	0.3
111.08066	0.1
117.06963	0.4
118.63707	0.1
119.08566	0.8
120.08083	1.3
121.06445	0.2
121.08851	0.2
121.10107	0.6
122.09658	1.7
123.04418	0.8
123.08016	0.3
123.10439	0.2
123.11671	0.3
124.07600	0.2
124.11218	0.9
125.05949	0.1
125.09691	0.1
126.09138	0.1
127.03831	0.2
129.06949	0.1
129.10175	0.3
130.06522	0.1
131.08513	0.3
133.08641	0.1
133.10092	0.4
134.09625	0.4
135.10492	0.1
135.11668	0.3
136.07576	0.6
136.11182	0.4
137.05974	0.2
137.09567	0.1
138.09087	0.2
140.10634	0.2
143.08484	0.2
143.11688	0.1
145.10143	0.7
146.09599	0.2
147.04346	0.2
147.11620	0.3
148.11166	0.2
149.09593	0.2
150.12798	0.1
152.07039	0.8
153.07378	0.1
155.08131	0.1
155.14258	0.1
157.10109	0.2
159.09148	0.2
159.11635	0.2
163.11166	0.3
163.14726	0.1
164.07079	0.1
165.09056	0.1
169.06113	0.1
170.11714	0.4
174.12733	0.2
175.07507	0.2
176.14297	0.2
185.13271	0.2
187.14716	0.2
190.15912	0.2
192.13815	0.3
192.17458	0.8
194.15347	0.2
194.18977	0.2
199.08723	0.2
200.14310	0.2
201.12373	0.1
202.15910	0.7
204.06454	0.1
210.14835	0.1
212.16479	0.2
213.10393	0.1
214.10876	0.2
218.15390	0.8
220.16930	17.0
221.17285	0.3
221.20131	0.2
222.18497	9.9
223.18785	0.2
225.10191	0.1
227.08000	0.2
227.11774	0.2
229.13298	0.4
229.15373	0.1
236.16461	0.4
238.17976	40.9
239.18422	1.1
239.21121	0.3
240.19542	36.6
241.19907	0.7
245.12943	0.2
246.18414	0.2
255.11270	0.3
256.11728	0.2
256.19052	1.9
257.12778	0.9
258.20517	0.4
264.19513	0.4
265.22949	0.1
267.11200	0.1
281.09155	0.2
285.12296	0.4
290.24390	0.1
297.12350	0.1
301.11801	0.4
302.12244	0.2
309.08667	0.3
313.11841	0.2
315.13199	0.1
325.21680	0.1
327.09549	0.2
328.09839	0.2
345.14465	0.2
355.08939	0.2
361.14014	0.3
362.14236	0.5
373.13681	0.1
387.11847	0.5
388.12170	0.4
406.29681	0.1
409.30780	0.1
459.35614	0.7
460.34082	0.3
474.80673	0.1
477.36798	100.0
478.37122	3.1
493.36673	0.2
501.36865	0.2
512.20245	0.2
513.20660	0.7
519.37866	0.7
537.38623	0.8
595.41162	0.6
613.41791	0.6
625.22803	0.2
626.52191	0.2
643.23871	0.1
647.26825	0.4
657.26440	0.2
657.37299	0.9
675.26495	0.5
675.40424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06236	1.6
51.58525	1.7
55.01877	2.2
55.05505	3.2
65.03952	2.5
67.05496	5.4
69.03424	3.3
69.07050	5.0
69.47408	18.3
70.06253	1.8
70.06567	10.4
72.08129	3.2
79.05474	4.1
81.07043	5.6
83.08608	2.2
84.04490	2.7
84.08137	5.0
85.02882	5.9
86.09697	6.8
89.06020	1.9
91.05482	5.1
93.07019	4.1
94.06548	23.2
95.08617	3.8
98.21490	2.5
105.06966	2.5
107.08552	3.5
108.04469	11.1
108.08092	2.5
109.02863	3.5
119.08568	4.0
120.04369	2.4
120.08081	6.6
122.06021	13.4
122.09679	2.9
123.11727	2.3
124.07511	1.9
127.03906	2.3
127.08643	1.6
131.08559	2.2
132.04454	3.4
134.05989	5.0
135.07961	1.8
136.07549	6.6
138.05496	9.2
138.09065	2.7
145.10034	2.4
146.05975	4.3
148.07544	2.7
160.03949	10.3
162.05444	2.9
164.07025	2.5
165.09090	10.2
166.04921	3.3
178.04994	9.3
180.06548	6.6
183.09462	2.0
184.09891	2.6
195.09160	3.6
196.09869	3.3
197.10698	17.4
198.11481	2.6
199.12331	2.9
201.83650	1.9
204.02934	3.6
209.06979	2.2
209.10626	2.5
210.09203	4.1
211.08662	10.0
211.12294	4.5
212.09264	14.9
213.10167	7.7
213.13838	2.1
214.12346	4.5
222.03998	4.5
223.08682	7.6
223.12221	2.3
224.09358	6.3
225.10176	34.3
226.08823	2.7
226.10944	7.8
227.08136	4.3
227.11745	4.7
229.09702	2.2
229.13258	2.5
230.10472	3.2
237.10298	6.0
238.07275	4.1
238.10886	3.8
238.17856	2.8
239.08142	6.3
239.11717	11.1
240.08571	9.0
240.12465	3.1
240.19576	2.8
241.09715	4.7
241.13239	8.7
242.11758	3.5
243.11281	5.8
249.10336	2.8
250.07076	4.6
251.08110	22.7
251.11763	4.5
252.08833	4.3
253.09650	23.7
254.10350	3.1
255.11217	4.0
257.08984	4.3
257.12854	6.6
259.14352	36.6
265.09653	6.7
267.07568	2.3
267.11227	14.9
269.09192	15.7
269.12781	9.1
271.10754	39.0
272.11398	13.3
273.12289	8.0
279.07608	14.0
283.10825	6.5
284.11349	3.2
285.09064	3.0
285.12280	60.6
287.13724	4.0
293.09241	6.7
295.10751	12.9
297.08731	16.0
299.10187	7.5
301.11844	2.2
303.13306	4.8
311.10248	22.9
313.11768	73.8
315.09756	23.6
321.08762	7.2
329.11319	25.0
339.09589	9.6
341.11310	9.4
345.14502	4.0
357.10770	21.2
399.11688	2.1
401.09930	2.3
406.20898	3.1
474.16595	3.7
477.36368	3.4
555.25922	3.3
557.23779	7.8
571.25488	8.8
579.19928	2.1
581.23859	25.5
583.21710	4.9
587.28461	2.6
597.22980	7.1
599.24902	100.0
600.24878	4.5
607.21613	5.3
611.20721	7.0
615.24231	2.7
625.22778	18.5
626.23022	2.6
631.27563	50.4
632.27307	3.8
639.24255	4.6
643.14001	3.0
643.23889	41.1
644.23517	3.3
657.25000	6.1
658.19678	3.2
675.26007	5.2
675.37354	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
55.05482	3.9
56.99605	2.4
69.03393	2.9
69.07042	8.6
70.06567	16.4
71.04945	2.6
71.74934	4.2
71.75301	2.6
72.08138	4.7
77.62617	2.4
79.05483	4.0
81.03398	3.1
81.07047	6.0
82.06564	2.9
83.08586	5.7
84.04460	4.1
84.08129	7.4
85.02866	4.9
86.09682	7.2
89.05988	3.9
91.05454	5.3
93.07016	5.0
94.06539	21.8
95.04967	3.6
95.08608	3.9
97.02858	3.2
106.06501	3.2
107.08583	4.1
108.04442	12.0
108.08017	2.5
109.02866	2.6
109.06488	2.6
119.08561	3.9
120.08082	10.0
121.10175	3.3
122.05978	11.4
122.09635	3.1
127.03942	4.5
129.10233	3.5
131.08481	3.0
132.08127	2.3
134.05986	5.7
136.07542	7.5
138.05435	8.0
138.09076	5.7
143.79900	2.2
145.10107	3.2
146.05975	3.5
148.07515	5.8
152.07037	2.6
158.09692	3.6
159.11609	2.9
160.03889	11.5
164.07033	7.2
165.09099	8.3
166.05032	2.9
178.04930	10.1
180.06473	7.9
184.09921	3.0
185.10672	3.3
192.06393	2.8
195.09135	3.6
196.07431	3.8
197.10721	15.5
198.09225	3.6
199.08551	2.9
201.10222	2.6
204.02898	4.9
209.10614	3.2
210.09113	5.3
211.08655	8.7
211.12270	6.2
212.09360	10.3
213.10048	11.7
213.13617	3.0
214.12337	3.0
221.07104	2.8
222.03951	4.4
223.08580	8.3
224.09285	4.5
225.10196	42.1
226.10925	7.9
227.08112	3.4
227.11641	7.2
229.09662	3.6
230.10333	6.1
237.10184	7.5
238.10931	6.1
238.17908	4.6
239.08066	6.9
239.11867	14.1
239.13800	2.8
240.08914	8.1
240.12445	3.2
240.19498	7.4
241.09720	6.7
241.13234	11.6
243.11218	7.7
243.14987	3.6
249.10173	4.1
250.07146	4.0
251.08133	22.0
251.11783	5.8
252.08665	3.3
253.09720	28.1
255.11320	4.5
257.09171	6.5
257.12823	10.2
259.14392	45.5
265.09659	6.9
267.11234	17.4
269.09143	19.5
269.12698	7.7
271.10718	38.5
272.11584	13.1
273.12305	9.7
279.07648	14.5
281.08945	2.9
283.10754	10.4
285.12262	64.3
286.12793	3.1
287.13861	6.1
293.09241	5.8
295.10687	15.4
297.08606	20.9
299.10123	9.7
303.13379	3.8
311.10181	29.5
312.10547	3.5
313.11768	74.5
315.09659	20.4
321.08511	12.8
329.11191	27.7
337.08038	3.1
339.09665	14.8
341.11212	9.4
345.14423	3.9
357.10840	21.1
389.13474	3.0
406.21262	3.7
477.36716	5.0
557.23499	8.0
571.25244	8.0
581.23877	26.2
582.23749	3.3
587.28705	3.4
597.23279	6.3
599.24921	100.0
600.25171	4.3
601.22986	4.6
607.21381	9.0
611.21405	6.1
625.22559	18.0
631.27582	50.6
632.27509	3.8
639.24194	4.9
643.23895	46.0
644.22540	3.0
657.24353	8.8
658.19824	8.1
675.26025	8.4
675.37848	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01859	1.9
55.05505	17.9
56.05834	2.7
57.03424	1.9
57.07070	11.3
58.07404	1.8
59.04996	5.3
61.02929	0.9
67.05500	5.4
69.03419	6.7
69.07061	44.0
70.06583	9.7
70.07402	7.2
70.53455	3.0
71.04991	3.4
71.08607	1.4
72.08146	2.2
73.02884	1.5
79.05486	2.1
80.05004	1.2
81.03409	7.0
81.07043	10.2
83.04975	1.1
83.08610	45.0
84.04492	1.5
84.08125	3.3
84.08939	9.2
85.02893	11.9
85.06534	1.5
86.03263	1.0
86.09693	7.3
87.00839	4.5
87.04440	1.2
89.06018	19.6
90.06356	4.3
91.05480	3.8
92.04992	1.0
93.07040	2.4
94.06572	2.8
95.04961	3.0
95.08588	6.6
96.08125	2.0
96.08945	1.4
97.02878	3.9
97.06543	1.1
97.10157	9.1
98.10480	2.5
99.04449	2.9
99.08097	1.7
103.03909	1.1
103.07573	1.2
104.04957	3.7
105.01869	2.8
105.07012	2.3
106.06562	1.4
107.08572	1.9
108.04446	1.9
108.08126	3.7
109.02870	4.3
109.10141	5.5
110.07114	1.6
110.09743	1.7
110.10442	0.8
111.11653	0.8
117.09100	0.8
118.06542	1.4
119.08591	1.5
120.04534	1.0
120.08103	7.5
121.06493	1.0
121.10120	1.1
122.06023	1.0
122.09654	1.1
123.11757	3.7
125.13273	5.7
126.13615	2.1
127.03904	5.2
128.04254	1.8
129.10191	1.4
131.08565	1.5
132.08075	0.8
133.08582	9.1
133.10127	1.3
134.05978	5.0
134.08916	2.5
135.08060	1.1
135.11668	1.1
135.66852	0.7
136.07558	5.3
138.05486	3.0
138.09138	9.6
143.08536	0.9
143.14287	0.7
144.08139	0.7
144.14644	0.9
145.04961	2.4
145.10110	1.9
146.06035	2.2
148.07605	0.9
149.09634	0.8
151.07602	0.8
151.09653	2.6
152.07056	3.2
157.08745	0.8
157.10075	0.8
159.02940	1.6
159.09154	1.5
159.11650	0.9
160.03949	1.3
162.05501	1.1
164.07030	5.6
165.09126	1.2
165.16306	1.0
166.04974	2.1
166.08650	1.2
168.36176	0.8
171.11707	0.7
173.13181	0.8
177.11244	8.7
178.04970	45.5
178.11560	3.5
179.05325	1.3
180.06520	1.1
182.08186	1.5
183.17458	1.2
188.03404	1.0
191.12813	3.6
191.14287	0.9
192.13132	1.2
194.08057	1.0
195.12209	5.6
196.09825	1.3
196.12645	2.1
197.10750	1.3
201.18533	2.8
202.18875	1.9
205.03203	0.8
209.13808	2.0
210.11334	1.0
211.08601	4.5
211.12321	1.5
212.09271	1.2
213.10219	3.4
220.17029	1.0
222.03998	1.3
223.08693	1.5
223.12195	0.9
224.09123	1.2
225.10156	6.4
226.10950	2.1
227.11745	2.8
231.04945	1.2
235.15312	1.3
236.05486	0.9
236.15768	1.1
237.10201	1.9
238.10869	1.5
238.18074	3.0
239.08073	3.2
239.11766	6.0
239.15028	0.7
240.08873	1.2
240.12444	1.2
240.19576	2.6
241.09706	4.5
241.13367	3.2
241.21672	1.7
242.21933	1.6
243.14960	1.0
249.10056	1.1
249.16960	1.1
250.17262	1.3
251.08112	3.2
251.11809	1.3
252.08649	1.0
253.09650	6.0
253.13322	1.4
253.16385	1.9
254.10397	1.5
254.16830	1.1
255.11241	5.0
257.09174	3.5
257.12845	2.1
259.14474	1.5
265.09674	2.2
267.07867	1.6
267.11246	9.1
268.11908	1.6
269.09216	8.6
269.12827	5.3
271.10864	6.7
271.14294	7.4
272.11514	2.5
273.11969	1.7
279.07568	2.4
279.11267	2.3
281.09268	1.9
281.12598	0.9
283.07806	0.8
283.10812	4.3
283.13840	0.8
284.11484	1.3
285.08719	2.4
285.12335	8.3
286.12628	1.4
287.13608	2.6
292.07999	0.9
293.09021	1.4
295.10730	4.7
297.08728	2.6
297.12262	19.7
299.10272	1.3
300.10986	1.9
301.11862	3.7
303.13232	2.4
305.13907	1.0
306.05920	1.2
309.08673	0.9
311.10208	3.6
311.13638	1.1
312.10620	1.0
313.11804	13.1
315.13336	100.0
316.10300	1.3
316.13724	5.0
323.10226	3.1
324.07092	1.3
329.11185	4.2
337.08099	4.6
338.08417	4.3
339.09177	5.7
341.11227	6.0
355.09140	5.7
355.12695	1.3
356.09515	7.6
357.09952	6.9
358.11337	1.3
359.11603	1.3
361.13953	11.2
367.08627	1.1
371.12054	1.3
373.13895	14.5
374.14316	1.4
383.08652	3.9
384.09033	5.6
385.09219	5.3
389.13293	5.3
391.30496	22.7
392.30829	37.4
401.09610	2.1
402.10065	4.3
403.10110	4.4
409.31622	5.6
410.31940	12.0
470.32379	0.9
477.36227	1.8
581.23773	1.8
597.23035	1.3
598.23230	0.8
599.24713	4.7
607.21936	1.5
615.23792	1.2
625.22687	7.6
626.22736	1.5
639.24109	0.9
643.23224	18.6
657.24750	4.2
675.25732	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	674.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
57.07068	62.3
59.04994	15.2
66.33982	0.7
69.07057	2.0
70.93528	2.0
71.08622	60.9
73.02908	1.0
73.06544	4.7
82.52979	0.7
83.08607	1.5
84.08079	0.9
85.10171	50.8
87.04460	14.2
89.06019	100.0
91.07580	1.3
95.08620	0.7
98.21457	1.1
99.11719	5.9
103.07571	6.4
107.07036	4.7
117.09120	4.8
130.08621	4.0
131.07047	5.2
133.08585	77.6
141.16376	5.2
151.09636	0.9
161.11742	1.3
175.09636	5.4
177.11194	34.5
195.12302	1.0
199.20566	7.1
219.12250	2.3
221.13814	6.3
223.15436	1.3
230.60751	0.7
237.13292	0.8
239.14903	3.6
243.23131	5.9
265.16513	1.7
283.17438	4.0
309.19241	1.8
327.20190	2.2
353.21579	1.9
367.61597	0.8
371.22751	2.2
415.25351	2.5
441.27042	1.7
459.27969	15.2
499.30927	2.3
503.30515	1.0
517.32092	1.0
528.44415	0.8
582.24487	1.2
657.47961	3.5
674.41132	1.1
674.50806	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	675.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39089	0.4
55.05460	1.4
56.96810	0.4
57.07046	0.7
63.13421	0.4
67.05484	0.5
69.03390	0.9
69.07016	1.9
70.06559	1.0
70.82132	1.3
81.03378	0.5
81.06999	0.9
83.08612	3.9
84.08913	0.5
85.02880	1.1
86.09672	0.5
87.04430	0.5
89.06024	2.4
94.06516	1.4
95.04974	0.6
97.10155	1.0
109.10097	0.5
120.08043	0.8
122.05965	0.8
123.11653	0.5
131.39780	0.4
132.48535	0.4
133.08530	1.2
136.07539	0.7
138.05452	0.9
139.36076	0.4
145.21724	0.5
151.57581	0.4
160.03920	0.6
164.07051	0.4
165.09047	1.1
177.11171	0.6
178.04930	0.7
184.07593	0.5
194.04446	0.8
195.09206	1.3
195.12193	0.7
196.09801	0.8
197.07146	0.5
197.10701	0.9
197.57898	0.5
198.07866	0.5
199.08656	1.2
209.06996	1.6
210.07756	3.2
211.08615	3.8
212.09279	1.1
213.10185	1.7
219.94131	0.5
222.04022	0.5
222.07832	0.8
223.08667	6.4
224.09367	2.8
225.06445	0.4
225.10184	3.4
226.07256	0.5
226.10899	0.7
227.08076	1.8
236.05621	0.7
237.10178	2.0
238.07341	1.9
238.10985	7.3
239.08131	8.2
239.11731	1.9
240.08638	0.9
241.09705	2.1
241.13312	0.7
241.80843	0.4
243.07509	2.0
250.07281	0.5
251.08118	20.7
252.08919	3.3
253.05920	0.6
253.09703	6.2
254.10262	0.8
255.07700	2.5
255.11224	1.0
256.08359	2.9
257.09128	6.8
257.12769	0.8
259.14410	2.7
265.09644	3.0
266.10483	0.5
267.07495	1.5
267.11227	2.4
268.08282	1.2
269.09180	13.4
269.12183	0.7
270.09894	3.0
271.10730	3.6
272.11569	3.8
273.08664	0.7
279.07672	3.2
280.08356	1.8
281.09271	0.6
283.07440	1.0
283.10693	7.6
285.08661	13.8
285.12274	7.1
286.09268	0.6
286.12509	0.7
293.09003	3.3
295.10803	0.7
297.08661	29.6
298.09363	7.3
299.10294	3.1
303.13318	1.4
311.10205	58.7
312.10599	3.1
313.11807	5.5
315.09698	70.6
316.10394	12.4
317.11011	1.0
325.11963	0.7
327.13318	0.5
329.11282	38.5
330.11630	1.4
331.12793	1.7
339.09241	0.8
343.12878	0.9
345.14459	5.7
355.09161	1.0
356.09378	0.6
357.10339	2.1
371.12326	30.7
372.12643	1.3
373.13989	3.0
383.08807	0.5
384.09320	0.5
385.09442	0.6
389.13379	52.3
390.13617	2.3
391.30472	1.5
392.30676	2.4
417.12842	8.8
432.15668	1.1
460.14905	0.8
495.20874	0.5
510.18805	0.7
592.22498	0.4
597.23407	1.8
599.24756	0.7
607.21375	0.5
615.24390	2.0
625.22540	1.7
629.25800	2.5
631.28107	0.7
643.23138	2.1
651.05206	0.5
657.25458	100.0
658.25879	8.3
675.26410	16.6
676.26727	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	674.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
54.35011	0.5
55.01864	1.6
55.05505	31.2
57.03419	1.9
57.07071	18.9
59.04994	8.1
61.02921	1.0
67.05494	5.3
68.99757	0.8
69.03425	7.6
69.07059	60.1
70.06581	5.8
70.07373	0.7
70.98201	1.2
70.98539	0.6
71.04995	3.1
71.06921	0.6
71.08618	2.1
72.08137	0.7
73.02909	1.1
73.42716	0.4
79.05479	1.4
81.03413	6.9
81.07048	9.9
83.04971	1.0
83.08608	88.6
84.04505	1.1
84.08083	0.7
84.08944	1.2
85.02895	18.3
85.06541	1.4
86.09694	3.3
87.00826	6.5
87.04447	2.5
89.06022	39.5
91.05469	1.5
92.04939	0.5
93.07026	2.1
94.06557	1.1
95.04948	0.8
95.08605	8.5
96.08118	0.6
97.02897	4.6
97.06549	0.7
97.10158	24.1
99.04447	2.2
99.08076	2.2
103.03956	0.7
103.07569	2.3
105.01849	4.8
105.07008	1.5
107.07071	1.5
107.08561	1.4
108.04459	0.7
108.08116	0.6
109.02856	6.8
109.10131	5.2
113.09612	0.8
115.03880	0.6
117.01862	0.8
117.09140	1.4
119.08584	1.1
120.08083	1.8
120.08868	0.7
121.10161	0.7
123.04414	0.6
123.11693	3.9
125.13255	7.6
127.03909	8.3
129.01804	0.8
129.10214	0.8
130.08702	0.9
131.07069	1.4
131.08586	0.7
132.04460	0.6
133.08585	18.6
133.10118	0.9
134.05972	0.6
136.07588	2.4
137.13245	1.7
138.05513	2.8
138.09134	2.0
139.14813	1.9
141.10257	0.6
143.14330	1.8
145.04950	2.6
145.10106	0.8
146.06009	0.7
147.10176	0.8
151.07489	0.6
151.09610	3.3
152.07050	0.5
155.14287	0.9
157.15851	0.9
159.02905	3.1
160.03923	1.6
162.05495	0.9
164.07069	1.2
165.16397	1.9
166.05031	1.9
177.11197	19.7
178.04968	7.9
179.05183	0.5
179.17961	1.1
182.08195	0.6
183.17421	1.5
191.12793	4.0
194.31863	0.5
194.83427	0.6
195.12256	18.8
197.18947	2.9
201.18472	4.3
209.13832	2.9
211.08607	1.2
213.04015	0.8
213.10191	0.7
220.16975	0.5
222.03886	1.1
223.04285	0.6
223.08353	1.0
224.09099	0.8
225.10237	1.7
226.10747	0.6
227.08180	0.7
231.05000	1.7
235.15378	7.0
236.05563	1.9
236.09201	0.9
237.06239	0.7
238.10828	0.9
238.17979	2.0
239.08014	1.2
239.11807	1.0
239.14980	0.6
239.18460	0.6
240.19618	1.0
241.09668	1.1
241.21651	3.7
244.11848	0.6
249.06369	0.9
249.16988	1.8
251.08139	1.0
252.08731	0.9
253.09726	1.3
253.12822	0.6
253.13652	0.7
253.16402	6.1
255.11154	0.8
257.09180	0.9
257.12891	1.4
264.08649	0.6
265.09546	1.3
266.06580	0.6
266.10385	0.8
267.07574	1.9
267.11255	2.4
267.17899	1.1
269.09222	1.5
269.12924	1.5
270.09634	0.6
271.10712	1.6
271.14093	0.9
272.11490	2.1
273.11841	1.3
277.06116	0.8
279.07651	0.9
280.07938	1.4
283.10806	0.9
285.09183	0.9
285.12344	3.8
286.12701	1.6
289.09134	1.1
291.07626	1.4
292.04776	1.0
292.07965	1.0
293.05634	0.7
293.08990	1.2
294.09778	0.7
295.10635	1.2
296.07642	0.8
297.08704	1.5
297.12341	2.4
298.09094	1.2
301.11795	1.4
302.11929	1.2
303.13382	1.5
304.13657	1.6
305.05469	0.6
306.05853	0.9
309.08578	0.6
310.05936	0.9
310.09506	1.2
311.06659	1.1
311.10129	3.4
312.10571	1.7
313.11783	2.1
315.09897	1.1
315.13281	12.0
321.08627	0.5
323.06656	1.1
324.07028	1.6
329.11249	1.1
333.26230	1.3
337.08118	9.1
338.08502	9.8
339.09753	2.5
340.10004	1.4
341.11520	0.7
342.08133	0.8
355.09186	10.1
356.09497	12.4
357.10507	2.3
358.11053	1.3
361.14059	0.9
361.67426	0.6
365.07648	2.0
366.08002	1.6
371.12161	0.6
373.13794	1.3
383.08710	9.1
384.09009	9.3
385.09442	0.8
389.13528	0.9
391.30490	100.0
392.30750	3.1
397.10175	0.7
398.10818	0.8
401.09747	6.9
402.10165	6.4
409.31564	28.3
434.82294	0.7
439.20425	1.1
581.23932	0.7
598.23438	2.3
599.24811	1.1
624.21643	2.6
625.22070	0.7
642.22662	16.6
643.22839	2.6
656.24115	1.9
657.26245	0.7
674.25232	7.2
674.36847	0.9
675.25897	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	673.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71603	0.1
54.80451	0.2
55.05259	0.2
55.05500	1.5
55.44140	0.2
56.05008	0.3
57.03426	0.2
58.06568	0.5
59.04977	0.2
63.83266	0.2
67.05223	0.2
67.05493	1.8
68.04998	0.5
69.03386	0.3
69.07050	2.4
69.94462	0.9
69.94885	0.3
70.06580	6.0
71.04981	0.4
71.06898	0.3
72.08115	0.7
74.06029	0.2
79.05465	2.1
80.04986	0.7
81.07046	2.5
82.06568	0.9
83.04945	0.2
83.08591	0.4
84.04478	0.6
84.08116	1.2
85.02869	0.4
85.06484	0.3
86.09282	0.2
86.09692	2.1
91.05480	1.1
93.07025	1.9
94.06550	2.0
95.04920	0.3
95.07308	0.5
95.08126	0.2
95.08599	2.0
96.07550	0.2
96.08118	3.5
97.02814	0.2
97.10135	0.5
98.09646	0.5
98.20818	0.3
101.07079	0.2
105.07018	1.2
106.06538	0.3
106.72100	0.2
107.07319	1.3
107.08565	1.5
108.07401	0.3
108.08100	4.1
109.06474	0.2
109.08865	0.6
109.10107	0.6
110.09666	1.5
117.06937	0.5
119.08587	1.0
120.08071	1.7
121.08868	0.2
121.10088	0.4
122.08819	0.3
122.09641	2.7
123.04388	0.7
123.08070	0.2
123.10424	0.5
124.07583	0.3
124.11208	1.0
127.03893	0.2
127.08620	0.2
129.06996	0.2
129.10159	0.4
131.08546	0.3
132.08063	0.3
133.10109	0.3
134.09650	0.6
135.11603	0.3
136.07516	1.0
136.11171	0.5
138.09094	0.2
143.08524	0.4
145.06047	0.2
145.10054	0.6
146.09647	0.2
147.11659	0.3
155.08133	0.3
159.09070	0.2
159.11676	0.3
160.11118	0.2
163.11143	0.2
170.11676	0.5
173.11958	0.2
174.12740	0.3
176.14352	0.3
183.14958	0.2
190.15877	0.4
192.10141	0.2
192.13699	0.3
192.17392	1.1
202.15782	1.0
218.15414	1.8
219.18591	0.2
220.16931	23.5
221.17235	0.6
222.18495	3.1
236.16388	1.6
237.12341	0.2
237.19583	0.5
238.17970	54.0
238.68219	0.2
239.18358	1.2
240.19545	10.4
241.19893	0.2
256.19006	3.4
258.20746	0.2
291.92233	0.2
334.70425	0.2
404.84549	0.2
407.19540	0.2
408.98492	0.2
457.33948	0.4
475.35229	100.0
476.35605	3.4
491.34808	0.5
517.36426	1.4
535.37378	1.6
542.34753	0.2
593.39453	1.1
611.40259	1.0
619.32294	0.2
673.40973	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	673.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.01841	0.6
55.05501	2.6
56.05023	2.1
57.03415	1.0
58.06560	0.9
60.04499	1.1
61.01119	1.2
61.02912	0.5
65.03905	0.6
67.05494	3.0
68.05000	0.9
69.03411	1.1
69.07059	3.8
69.32295	4.9
70.06582	35.1
71.04966	1.8
71.06895	1.4
72.08144	7.4
74.02387	0.5
74.06047	1.0
79.05486	3.2
80.04988	1.2
81.03380	1.2
81.07040	3.4
82.06535	1.8
83.04968	0.7
83.08567	0.6
84.04485	4.3
84.08125	6.3
85.02876	3.0
85.06506	1.5
86.06054	0.8
86.09692	13.5
87.05564	0.9
87.09969	0.7
88.03959	1.7
91.05450	3.4
93.07027	4.2
94.06544	2.3
95.04922	1.3
95.08593	3.3
96.08122	4.3
97.02855	1.0
97.06500	0.8
97.10131	1.1
98.06020	0.7
98.09660	0.6
99.04396	0.6
101.07099	2.1
102.05511	1.6
103.05437	0.5
104.05276	0.6
105.07023	3.5
107.04916	0.5
107.07307	2.0
107.08593	2.3
108.08092	4.7
109.02832	0.8
109.06505	1.0
109.08858	1.0
109.10109	1.5
110.07180	2.1
110.09632	1.8
110.10313	0.4
111.04442	0.5
112.07597	0.6
113.07095	0.8
114.05488	1.6
116.07075	0.8
117.06973	1.0
118.06872	6.5
119.04929	1.2
119.08546	1.5
120.08083	6.0
121.06455	0.6
121.10107	1.3
122.09669	3.3
123.04372	1.4
123.08049	0.6
123.10504	0.6
123.11627	0.5
124.11175	1.3
127.03872	1.2
127.08665	1.3
129.06651	0.5
129.10219	2.7
130.04973	0.8
130.08632	0.6
131.08548	0.9
132.08075	1.2
133.06078	0.8
133.10100	0.7
134.06003	0.6
134.09692	0.7
135.11679	0.7
136.07556	4.0
136.11140	0.6
137.05934	1.1
138.09090	0.5
141.10187	1.0
143.08498	0.6
143.11752	0.8
145.04852	0.7
145.10068	1.3
147.04399	3.4
147.11600	0.6
148.11185	0.5
149.05991	0.5
152.06958	0.7
153.01761	0.5
155.08113	0.7
156.07527	0.5
157.06143	0.7
159.07745	0.7
159.09143	1.9
159.11615	0.6
161.05930	0.6
163.03900	0.8
163.08949	1.1
163.11177	0.6
166.08607	1.2
167.06970	0.8
167.08253	0.5
169.09743	0.9
169.13383	0.6
170.06010	0.6
170.11710	1.0
171.07722	0.5
171.11395	0.7
171.13750	0.7
173.09343	0.6
173.12939	0.8
175.11166	0.9
183.11250	0.8
183.14903	1.8
186.08916	0.7
186.12447	0.6
187.10901	0.7
190.01112	0.4
190.15819	0.5
191.42192	0.5
192.17383	1.3
200.14212	0.5
201.08713	0.5
201.12325	1.0
202.15852	1.0
206.15434	0.5
211.14456	0.9
218.15387	2.1
220.16937	26.6
221.17313	1.3
222.18518	4.9
229.15462	0.7
233.12810	0.5
236.16385	2.3
237.12425	0.6
237.17070	0.4
238.17982	62.3
238.68130	1.1
239.18527	4.6
240.19553	17.1
241.19846	1.0
242.15257	0.5
243.13480	0.6
246.12875	0.7
251.11974	0.5
256.19089	4.6
263.13766	0.9
264.14130	0.7
267.11179	0.6
274.12186	2.2
283.10196	0.6
285.12332	0.7
313.03357	0.8
321.08679	0.5
332.16220	0.4
342.24149	0.9
373.18829	2.7
407.20215	2.1
457.34189	0.7
475.35251	100.0
476.35526	7.0
477.36847	1.0
491.34897	2.3
512.19946	0.6
515.27625	0.5
517.36060	0.8
531.27350	0.8
535.37390	1.4
559.26770	1.6
566.29510	0.6
593.39063	1.0
611.40405	1.9
629.41522	0.6
630.03827	0.5
673.23950	1.0
673.40302	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	673.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18655	0.4
53.67214	0.4
61.65122	0.4
65.03919	2.4
69.07008	0.4
69.45978	2.1
69.46404	2.4
70.06554	1.0
74.16199	0.4
81.06985	0.6
82.63780	0.4
91.05392	0.6
92.04983	2.4
94.06548	3.7
104.04958	1.0
105.06939	0.4
108.04386	1.3
110.09750	0.4
118.06455	0.5
120.04422	0.5
122.05933	1.1
130.02809	1.3
130.06377	0.4
132.04391	2.1
134.05942	1.1
136.07564	3.7
138.05469	16.3
138.09108	4.2
146.05968	0.8
148.03905	0.7
150.05405	0.8
152.03337	1.3
152.07047	0.4
160.03911	9.4
160.07503	0.4
162.05453	1.2
163.04953	1.2
166.03700	0.7
166.04980	8.0
166.06395	1.0
168.08073	0.6
169.08897	0.5
170.08299	0.5
174.09109	0.5
176.03337	1.0
178.04942	2.7
180.06580	1.8
180.07990	0.7
181.07440	0.4
182.08272	0.6
183.09113	1.1
184.11177	0.8
185.10657	0.9
186.01743	0.6
186.11217	0.5
186.12772	0.8
192.06628	1.2
193.07544	1.1
195.09077	1.3
195.40883	0.4
196.06226	3.8
196.09814	0.7
197.10617	0.8
198.07545	0.5
198.09224	0.8
200.09203	0.8
201.10118	0.9
202.12241	0.4
204.02881	5.7
206.08311	0.6
207.09157	1.4
208.05969	1.0
208.07755	0.8
208.09846	0.8
209.07011	1.5
210.07738	1.0
211.08601	2.2
211.12216	1.8
212.10799	3.0
212.16306	0.6
213.10114	2.1
213.13710	0.8
214.08765	0.5
214.12392	3.0
215.11702	0.6
221.07018	2.0
222.03929	7.8
222.07785	1.5
223.08606	3.7
224.05745	1.5
224.09276	1.1
225.10254	3.0
226.07272	0.5
226.10715	0.7
227.08054	1.2
227.11780	0.6
228.08907	0.9
229.09550	0.6
229.13315	2.7
230.11916	2.5
234.07704	0.6
235.08638	3.3
236.05490	8.0
236.09341	1.8
237.06548	4.0
237.10132	3.3
238.07259	3.4
238.17978	0.7
239.08118	5.4
239.11699	2.6
240.10144	1.3
241.09608	2.6
241.13255	1.0
242.06831	0.6
242.11948	2.6
243.11247	3.6
249.06543	2.2
250.07323	1.7
251.08115	6.6
252.08780	1.1
253.06081	1.3
253.09639	2.4
254.06799	0.9
255.07477	0.6
255.11243	1.3
257.08960	0.5
257.12820	8.8
258.13400	0.4
259.14334	3.6
263.08148	3.4
264.05231	4.3
264.08853	5.0
265.05902	0.8
265.09647	2.5
266.06805	2.9
266.10498	2.5
267.07571	9.2
267.11169	3.3
268.04556	0.8
269.09146	3.7
270.06427	0.7
271.10709	3.6
272.07950	1.5
272.11475	13.4
273.08600	0.7
273.12082	0.7
274.09592	0.5
277.06134	2.2
278.06781	0.5
279.07568	8.9
279.10379	0.8
280.08047	0.6
281.09201	1.1
282.06430	1.2
283.07071	2.7
283.10635	1.5
284.08176	0.5
285.05002	1.5
285.08990	1.3
285.12268	18.1
286.12390	0.5
291.07587	8.7
292.04758	7.3
292.07965	0.5
293.09113	3.9
294.06253	1.2
295.07053	4.1
295.10471	0.8
296.07922	1.7
297.08670	7.3
298.09329	0.9
299.10123	2.0
299.13409	0.5
300.10901	2.3
301.11768	5.5
303.13327	11.1
305.05527	8.2
306.05573	0.5
307.07126	0.8
309.08655	4.1
310.05768	6.0
310.09393	8.7
311.10208	17.6
313.08081	0.4
313.11777	0.9
315.09653	1.5
319.06985	2.6
321.08511	2.7
323.06570	11.6
326.08942	2.1
327.09821	1.0
329.11298	1.2
337.08105	100.0
338.08322	2.6
339.09683	13.2
340.06778	1.6
341.07657	2.8
342.08450	2.3
347.06824	2.2
355.09186	83.5
356.09552	1.9
357.10690	8.3
365.07608	16.8
371.12143	2.1
378.17938	1.2
383.08664	83.7
384.09155	2.2
401.09726	64.0
402.09872	1.0
420.19193	4.1
422.11310	0.6
438.20178	7.7
464.18188	1.0
476.14386	1.4
508.17096	0.8
579.22235	1.0
595.21991	2.9
597.23303	10.8
605.20221	1.2
609.57013	0.5
623.21222	14.0
627.24725	0.8
629.26154	2.6
641.22296	83.6
642.22754	4.5
655.23871	6.7
673.24902	35.0
674.25531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.6
55.01822	0.6
55.05451	2.6
57.07022	1.0
59.04955	0.7
65.03877	1.6
67.05450	1.3
69.03380	0.9
69.07058	4.2
70.06575	5.3
70.85363	1.3
72.08100	0.7
79.05442	1.0
81.03362	0.5
81.06996	1.9
83.04932	0.6
83.08605	4.1
84.04440	1.0
84.08086	1.9
84.08858	0.6
85.02829	2.0
85.03298	0.5
86.09626	2.3
87.04417	0.6
88.80339	0.5
89.06024	4.0
91.05446	1.1
92.04960	1.3
93.06994	1.2
94.06560	3.9
95.04899	2.0
95.08534	1.4
96.04418	0.6
97.02833	0.6
97.10105	1.8
104.04889	2.0
105.04406	0.6
105.06954	0.7
106.06451	0.6
107.08566	1.2
108.04375	1.3
108.08080	0.7
109.02804	0.9
109.10079	1.0
110.07092	0.5
111.07988	0.5
119.08451	0.8
120.08040	1.3
120.46838	0.4
121.10052	0.6
122.05927	0.7
123.11626	0.9
127.03844	1.0
128.06157	0.5
129.10161	1.2
130.02802	2.1
131.08411	0.5
132.04391	1.5
133.08519	1.9
133.10042	0.5
134.05965	1.6
135.07947	0.5
136.07564	4.2
137.09583	0.7
138.05495	10.1
138.09071	2.2
145.10049	0.9
146.05983	1.2
150.05443	0.8
152.03331	1.6
152.06995	0.9
157.10020	0.7
160.03932	6.4
160.07489	0.6
162.05423	1.9
165.09073	0.6
166.04979	4.7
167.07166	0.6
168.08006	0.5
176.03409	0.9
177.11241	0.9
178.04971	19.2
180.06540	1.9
180.07988	0.8
181.07544	0.9
183.09120	1.0
184.07591	0.6
187.08643	0.6
190.04945	0.6
192.06583	1.0
193.07532	1.1
194.08200	0.6
195.09106	1.4
196.06258	4.1
196.09839	0.7
197.07048	0.8
197.10660	0.9
199.08589	1.5
200.09334	1.4
201.10210	0.6
202.12274	0.6
204.02898	6.9
206.08316	0.9
207.09117	2.0
208.06125	0.9
208.07805	0.7
208.09814	0.9
209.06911	2.4
209.10617	1.0
210.07710	0.7
211.08632	2.3
211.12245	0.7
212.09138	0.9
212.10854	1.0
213.06271	0.5
213.10187	1.2
213.13705	0.5
214.10515	0.7
214.12215	2.1
215.08054	0.8
218.36841	0.5
219.09023	0.7
221.07060	3.3
222.03952	12.1
222.07747	1.8
223.08693	5.0
224.05780	1.6
224.09381	1.4
225.06642	0.5
225.10089	3.2
226.10963	0.7
227.08098	1.9
227.11665	0.9
228.08821	0.6
229.09673	2.6
229.13321	2.3
230.11839	0.7
231.14847	1.1
235.08601	5.0
236.05510	7.0
236.09355	1.7
237.06638	4.6
237.10210	4.5
238.07285	2.6
238.10927	0.8
238.18010	1.5
239.08093	5.1
239.11728	2.3
240.10213	1.1
240.19557	1.5
241.09622	1.2
241.13329	1.7
242.10147	1.0
242.11821	0.7
243.11282	3.1
244.09735	0.9
244.12096	0.7
245.13026	0.5
249.06551	2.6
250.07243	1.2
251.08139	5.2
252.08827	1.2
253.05968	1.4
253.09741	3.4
255.07596	0.6
255.11171	1.7
257.09152	6.7
257.12787	9.2
259.07059	2.1
259.14404	12.7
263.08087	4.7
264.05304	2.7
264.08871	5.1
265.06009	1.3
265.09714	4.1
266.06763	2.9
266.10388	2.7
267.07574	6.8
267.11203	3.6
269.09198	4.0
270.06268	0.8
271.10675	3.1
272.08002	1.7
272.11484	6.6
273.08649	1.2
273.12350	1.0
275.13809	2.1
277.05942	3.5
277.09024	0.9
278.06860	0.6
279.07571	8.7
281.09201	2.4
282.06299	0.7
282.09952	0.7
283.07086	3.1
283.10724	2.3
285.05093	2.0
285.09183	0.8
285.12280	24.7
286.09726	0.7
287.10257	0.7
291.04749	0.5
291.07605	11.0
292.04764	4.7
292.07703	0.8
293.09137	5.6
294.06265	1.6
295.07028	5.3
295.10782	1.5
296.07849	1.6
297.08646	6.2
298.09384	0.9
299.10071	1.2
300.10956	2.4
301.11804	9.4
303.13342	22.7
305.05569	6.9
307.07135	1.6
309.08701	6.6
310.05743	9.2
310.09433	8.3
311.06595	1.3
311.10202	17.5
313.08090	2.7
313.11685	1.1
315.09705	3.1
319.07071	3.2
321.08664	3.2
323.06564	14.8
323.09558	0.5
324.07208	1.0
329.11230	1.2
337.08133	70.7
338.08524	1.8
339.09698	20.3
340.06754	1.6
341.07635	2.7
342.08499	2.7
347.06500	3.1
350.46100	0.5
355.09201	100.0
356.09607	1.9
357.10773	8.4
365.03082	1.0
365.07632	19.2
371.12396	1.0
383.08691	86.8
384.09113	1.8
389.13443	0.8
401.09750	75.0
402.09833	1.2
420.19116	3.8
425.26877	0.6
432.15244	0.5
438.20203	7.3
464.17892	1.2
475.35065	1.0
476.14398	1.1
495.19870	0.5
508.17542	0.6
563.18909	0.5
579.21674	1.1
581.21246	0.5
595.21759	6.2
597.23431	11.5
599.21381	0.9
605.19727	0.9
613.22607	0.6
623.21307	23.3
627.24774	0.9
629.26233	1.2
641.22382	68.0
642.22760	1.7
655.23810	7.4
655.33636	0.7
673.24939	11.4
673.35632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22569	1.1
55.05502	1.5
57.03421	1.5
57.07069	100.0
57.99536	1.2
59.04707	2.1
59.04992	30.6
69.07055	2.1
71.08625	71.4
71.68677	2.0
75.50364	1.1
81.07001	1.4
83.08596	1.8
85.10171	61.1
87.04448	4.9
89.06021	51.8
95.08636	1.4
97.10152	3.6
99.11732	12.2
101.05976	1.4
101.09594	1.7
107.07066	2.8
110.93768	1.2
111.11699	1.2
113.13265	3.7
117.09116	12.9
131.06976	1.9
133.08588	44.4
148.94737	1.3
155.17931	9.2
175.09627	2.3
177.11194	16.5
193.10240	1.5
213.22118	18.2
221.13866	4.1
239.14832	1.7
243.33562	1.2
254.08788	1.3
254.24895	2.2
271.26294	22.0
283.17377	2.0
309.19110	1.3
327.20078	14.2
385.24234	5.8
400.21399	1.2
442.90805	1.2
459.28030	8.9
589.77496	1.3
672.52448	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	672.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.07067	35.0
58.24117	0.9
67.05478	1.5
69.07042	4.1
71.08617	32.6
71.40323	1.0
71.40659	2.4
73.06551	9.1
81.07036	1.4
83.08596	4.0
85.09647	1.0
85.10168	16.5
87.04469	7.7
89.06018	100.0
91.07573	1.0
97.10171	5.3
99.11734	1.9
107.07040	4.2
111.11681	2.8
113.13274	2.0
117.09127	7.0
125.13274	2.6
127.14787	2.9
130.08612	5.2
131.07018	2.2
133.08583	60.9
141.16342	1.6
161.11711	3.0
175.09647	1.1
177.11197	27.2
177.12689	2.0
197.22621	2.7
221.13765	6.6
239.14835	1.3
241.25279	3.3
249.79503	0.9
271.66141	1.0
281.35718	1.0
283.17380	3.6
285.27887	10.4
320.48605	1.0
327.19882	2.4
329.30472	6.0
353.75159	1.0
459.27658	6.3
586.93500	1.2
655.49854	9.5
672.52557	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	671.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09389	1.9
53.03938	9.5
55.01868	10.0
55.05502	10.9
57.03420	5.3
57.07052	4.8
58.44656	1.7
61.02911	6.1
67.05497	38.6
68.99771	4.9
69.03082	3.0
69.03420	41.1
69.07056	21.5
70.06583	12.0
70.87984	6.1
71.04992	14.7
73.02916	10.2
79.05483	9.4
79.19479	1.7
81.03410	38.7
81.06580	2.4
81.07045	33.1
83.08604	7.0
84.08155	3.1
84.23634	1.6
85.02895	82.4
85.06554	1.9
86.09689	4.2
87.00818	27.8
91.05464	10.2
93.07043	14.5
95.04921	3.9
95.08597	30.4
97.02876	23.1
97.06535	1.8
97.10140	3.7
99.04453	13.8
105.01866	23.6
105.07014	19.9
107.08572	23.5
109.02866	42.7
109.10145	100.0
111.11712	2.1
115.03835	2.4
117.01815	5.0
117.07011	4.3
119.08543	17.6
121.06491	2.3
121.10116	17.4
123.11673	12.9
127.03901	73.1
129.01805	5.8
129.10320	2.3
131.08537	9.5
131.79175	2.1
133.10109	12.8
135.11664	7.9
137.13243	4.5
143.08530	7.1
145.04945	26.0
145.10094	14.3
147.02840	5.6
147.11642	16.4
149.13228	6.6
155.08591	2.8
156.09215	2.1
157.10068	7.5
159.02895	28.8
159.11649	10.4
161.13222	7.9
163.14771	5.9
167.08440	2.6
169.10036	5.2
171.02756	1.9
171.11664	6.9
173.13243	8.6
175.14825	4.6
183.11679	4.2
185.13226	6.8
187.14778	7.5
189.04012	2.1
189.16318	5.0
195.11684	3.2
197.13213	5.7
199.14722	5.6
201.16290	4.9
203.17976	9.5
205.19540	2.0
209.13283	2.8
211.14778	4.2
211.89700	1.9
213.03882	2.3
213.16360	3.3
215.18024	5.1
217.19330	3.0
219.17519	3.0
231.04881	12.7
235.14821	3.0
238.17984	2.2
239.18083	2.8
243.21008	2.6
245.18764	2.0
251.83893	2.4
255.21030	2.3
309.25497	2.7
318.30005	9.2
326.23315	2.3
405.34973	6.4
423.36130	14.8
476.53455	2.4
671.41473	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	671.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
54.25708	1.8
55.05503	29.7
57.03437	2.8
57.07071	12.4
58.61950	1.4
59.04995	13.2
60.04485	1.6
67.05494	5.1
69.03417	5.9
69.06679	2.1
69.07057	37.9
70.00959	1.9
70.06583	20.3
71.04978	2.9
71.08608	4.3
72.08130	3.0
73.02897	1.8
79.05481	7.8
81.03407	4.5
81.07049	23.0
83.04948	2.9
83.08608	79.1
83.56824	1.8
84.04491	2.2
84.08134	8.4
85.02899	10.3
85.06498	2.0
86.09711	10.0
87.00813	4.6
87.04469	3.5
89.06016	14.1
91.05450	8.0
93.07036	6.0
95.04966	4.3
95.08596	12.5
96.08097	4.1
97.02889	6.2
97.08880	3.2
97.10154	30.4
99.04435	2.5
99.50912	1.6
105.01856	2.8
105.07037	6.7
107.08578	7.5
108.08119	7.3
109.02866	5.6
109.06486	2.5
109.10151	10.7
110.07172	3.1
110.09695	12.4
111.11716	3.5
117.07008	2.5
119.08562	6.1
120.08103	5.3
121.06455	3.1
121.10114	2.9
122.09604	2.2
123.08048	2.0
123.11658	5.8
125.13213	3.1
127.03927	5.3
129.06992	1.5
129.10248	3.2
129.12790	1.9
131.07047	2.0
131.08566	3.6
133.08583	12.5
133.10121	5.3
135.08020	2.4
135.11696	1.9
136.07555	2.8
137.05971	3.1
137.13255	4.4
137.47401	1.5
139.14818	4.0
140.89473	1.6
143.08589	1.7
143.62535	1.8
145.02850	2.0
145.04916	1.7
145.10135	4.0
147.11768	1.9
151.09676	3.9
152.98253	2.5
155.08510	1.9
157.10156	3.0
159.02878	2.6
159.11693	4.0
161.09566	1.8
165.09142	6.2
166.05058	1.8
173.13170	1.7
177.05446	4.2
177.11273	3.8
179.10742	2.1
179.17989	2.2
180.17447	4.3
185.09636	2.1
187.11101	1.8
189.09128	2.1
189.12726	2.5
191.12848	5.4
195.12206	3.8
197.13109	2.0
197.18990	3.7
202.15927	3.2
207.13730	3.8
209.13791	6.0
215.10648	2.3
215.20067	6.6
220.16975	16.4
222.18446	8.5
222.88728	1.7
228.09979	2.1
231.04956	2.4
233.86235	1.8
238.17960	28.3
239.18744	2.0
240.19542	19.9
241.19749	2.1
243.13756	2.1
249.16837	2.5
255.23112	3.1
257.13245	1.9
262.14233	2.0
285.12262	3.4
290.14142	2.1
301.11957	3.6
303.13544	2.6
327.10114	2.3
331.32608	1.8
337.08231	4.0
355.09387	4.7
383.08600	4.2
386.23227	2.2
387.23221	2.2
396.21616	2.3
401.09888	7.0
404.24420	6.0
405.24313	3.9
405.27094	2.4
405.32135	28.3
414.22842	4.4
423.24927	1.8
423.33228	3.0
432.24014	2.6
447.17484	3.0
465.18744	3.1
639.20673	3.7
671.31958	3.7
671.42542	100.0
672.42865	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	670.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50206	0.6
50.72423	0.6
51.35217	0.6
53.03925	1.1
55.05501	22.7
57.03434	6.9
57.06817	1.0
57.07067	12.6
61.02917	27.2
67.05494	30.1
69.03414	3.9
69.07059	39.4
70.06561	1.0
71.04980	3.6
71.08337	0.6
71.08620	7.1
73.02908	12.5
75.04454	1.8
79.05051	0.8
79.05484	12.2
81.03379	1.3
81.07046	45.9
83.04945	1.3
83.08607	33.5
85.02892	37.5
85.06503	2.4
85.10165	3.7
87.24415	0.7
91.03941	34.8
91.05460	1.5
93.07032	21.1
95.04926	0.9
95.08591	34.0
97.02882	18.0
97.06506	9.2
97.09515	1.3
97.10149	20.8
98.21507	1.6
99.04423	2.5
99.08055	2.0
101.06021	0.8
105.07024	1.0
107.07847	1.1
107.08572	16.1
109.02870	1.6
109.10139	15.6
111.08059	6.5
111.11705	8.0
113.09609	0.9
115.03887	1.5
115.11217	1.4
115.92973	0.7
117.05454	0.7
117.28940	0.7
121.10123	43.2
123.11700	14.6
125.09607	3.8
127.02953	0.8
127.03892	12.6
127.11164	1.6
129.12643	0.8
135.11678	34.8
137.13235	9.5
139.11148	3.3
141.12706	1.2
143.10619	1.1
145.03874	1.2
145.04941	17.1
149.13251	12.1
151.14780	2.2
153.12718	2.6
157.12216	1.4
163.05995	29.4
163.14822	6.8
167.14305	1.6
177.16336	2.3
181.15869	1.0
219.21054	41.7
231.19643	0.8
237.22101	95.4
251.20825	0.8
255.23164	24.0
255.25845	1.3
271.79184	0.7
311.25760	80.7
312.26074	0.9
329.26819	100.0
330.27255	1.2
360.58768	0.8
473.30911	2.0
613.73810	0.8
644.06274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01832	0.7
55.05499	3.5
56.05020	1.1
57.03419	0.5
58.06586	2.6
59.04944	0.3
60.04484	0.6
65.03912	0.4
67.05494	3.9
68.05016	1.1
69.03387	0.8
69.07058	4.1
70.06577	25.8
70.18671	1.1
71.04971	0.5
71.06879	0.7
72.08133	1.9
72.48634	0.3
74.06039	0.4
74.83920	0.3
76.02212	0.3
77.58349	0.3
79.05482	4.2
80.01396	0.3
80.04977	0.8
81.03390	0.4
81.05742	0.3
81.06597	0.3
81.07041	4.5
82.06567	2.2
83.04932	0.8
83.08595	1.3
84.04484	1.8
84.08124	2.7
85.02895	2.0
85.06485	0.9
86.05999	0.3
86.09687	5.7
88.03978	0.3
91.05456	2.4
93.05738	0.4
93.07023	3.6
94.06544	3.3
95.04932	1.5
95.07300	0.6
95.08581	2.5
96.08109	4.3
97.02876	0.7
97.06493	0.7
97.10146	1.9
98.06000	0.7
98.09642	0.7
98.21473	0.3
99.04402	0.3
100.11198	0.6
101.07091	0.3
102.05493	0.5
103.05450	0.4
104.05266	0.4
105.07014	2.4
106.06517	0.5
107.04856	0.4
107.07338	1.7
107.08562	3.2
108.08096	6.2
108.08823	0.2
109.02823	0.4
109.06496	2.0
109.08854	0.9
109.10104	1.4
110.06005	0.5
110.07115	1.0
110.09681	1.5
111.08040	0.6
112.07543	0.4
112.08739	0.3
113.05948	0.5
117.06964	0.8
119.04940	0.4
119.08561	1.8
120.08066	4.6
121.06468	0.5
121.08342	0.3
121.10101	1.1
122.05988	0.3
122.09650	3.9
123.04421	0.3
123.08011	0.5
123.10383	0.9
123.11662	0.5
124.07569	0.3
124.11249	1.4
125.09573	0.9
126.09096	0.2
127.03877	0.6
127.08657	0.2
129.06969	0.6
129.10217	1.2
130.04915	0.4
130.06508	0.4
131.07269	0.4
131.08524	0.9
132.08060	1.8
133.06157	0.4
133.08813	0.4
133.10088	1.2
134.05954	0.7
134.09570	1.2
135.08012	0.6
135.10521	0.2
135.11639	1.3
136.07556	1.9
136.11153	0.7
137.05934	0.9
138.09030	0.4
141.10161	0.4
143.08443	0.7
143.11761	0.4
144.08026	1.7
145.06400	0.3
145.08789	0.8
145.10066	1.0
146.05951	0.6
146.09619	1.3
147.04309	0.4
147.06725	0.7
147.07837	0.4
147.11615	0.5
148.07578	1.3
148.11168	0.6
149.13208	0.3
150.09067	0.3
150.12708	0.3
156.08032	0.3
157.08803	0.3
157.09990	0.3
158.09570	1.0
159.07951	0.4
159.09142	0.6
159.10339	0.4
159.11617	0.3
160.07539	2.3
160.11073	0.5
161.05942	0.5
161.09557	0.5
161.13150	0.3
162.05481	0.5
162.07770	0.2
162.09097	0.7
163.03961	0.4
163.07547	0.3
163.11131	0.6
163.14761	0.3
164.06973	0.4
170.09573	0.6
170.11694	0.9
172.07481	0.7
172.11151	0.6
174.05508	1.2
174.09076	1.3
174.12697	0.4
175.14746	0.3
176.07014	1.3
176.14293	0.5
178.04933	0.5
183.14862	0.8
184.11140	0.6
185.13205	0.3
186.05461	0.6
186.09126	0.5
186.12692	0.4
188.07014	1.0
188.10669	0.4
190.08630	0.5
190.15892	0.5
192.06477	0.5
192.13815	0.3
192.17427	1.0
194.08092	0.4
198.09032	0.5
198.12709	0.3
200.06981	0.4
200.14279	4.1
201.07825	0.3
201.12321	0.4
202.08527	0.7
202.15869	2.3
203.14186	0.4
204.06523	0.5
204.10147	0.4
204.13725	0.5
209.16405	0.4
210.12753	0.3
210.14728	0.6
211.14404	0.4
212.10471	0.2
212.14200	0.5
214.08562	0.5
214.15819	0.6
216.13739	0.6
217.13530	0.4
218.08089	0.4
218.11566	0.3
218.15334	2.5
220.16914	26.6
221.15297	1.0
221.17287	1.4
222.14883	1.8
222.18489	1.7
228.13763	0.5
230.15402	1.5
234.14821	0.6
236.16403	2.0
237.19490	0.3
238.17964	52.5
239.16319	0.4
239.18408	2.2
240.13713	0.8
240.19548	4.3
242.15292	0.5
246.14772	0.3
252.13705	0.3
254.17606	0.4
256.13330	3.5
256.19028	9.8
258.14844	3.4
260.12302	0.5
260.16397	0.8
270.14780	0.7
274.14337	0.3
276.15933	0.7
278.15347	0.3
284.12759	2.3
284.16324	0.7
286.14267	1.9
286.17865	0.7
288.15842	0.7
294.14954	0.4
296.16339	0.5
298.14474	1.2
300.12262	0.3
300.15793	0.4
301.15405	0.4
302.13773	1.5
302.17392	0.7
304.15366	1.0
307.26285	0.4
312.15823	1.5
313.11789	0.4
314.11948	0.3
314.17444	0.9
315.12729	0.4
316.15433	2.5
316.18967	0.5
318.17007	0.3
320.14948	3.0
325.27441	0.3
328.15335	0.7
330.16882	1.1
332.18567	0.7
334.16388	0.7
340.15466	0.9
346.16397	0.6
348.17874	0.7
358.16455	2.1
359.23175	0.3
364.24844	0.8
373.13870	0.9
374.14264	0.9
375.14368	0.8
375.19138	0.4
376.17520	2.4
392.17657	0.3
393.19574	0.3
394.18552	3.4
475.35226	6.9
476.35199	0.5
477.36728	0.9
493.36075	1.3
495.31390	0.4
539.35211	0.3
551.34637	0.5
569.35626	0.7
571.33582	1.1
587.36670	0.4
590.60553	0.3
595.33698	0.7
613.34650	3.9
629.34131	0.3
631.35712	100.0
632.36121	3.6
649.36536	12.3
655.39563	0.4
667.37872	7.5
668.01068	0.3
679.51129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
53.62592	1.9
53.76469	1.8
55.05497	8.5
57.03437	4.1
57.07071	2.6
61.02914	35.0
67.05496	45.0
69.03413	6.5
69.07060	8.0
70.06578	3.1
71.04960	2.4
71.62912	1.9
73.02907	12.3
79.05476	39.9
81.03403	3.1
81.07042	51.3
83.08601	7.3
85.02891	49.6
85.06541	2.3
91.03944	40.1
91.05447	26.0
91.05907	2.2
93.07031	50.5
95.04977	5.2
95.08593	51.7
97.02872	22.0
97.06521	4.5
97.10160	4.0
99.04455	3.1
99.08097	2.7
105.07013	21.4
107.08583	37.3
109.02832	3.0
109.06492	2.5
109.10146	23.1
111.08079	3.0
115.03948	2.4
117.06981	9.9
119.08564	17.1
121.10119	52.6
123.11642	9.9
124.26663	2.0
125.09608	3.5
127.03889	15.1
131.08556	26.3
133.10107	30.4
135.10007	2.0
135.11667	51.9
137.09572	4.6
137.13272	2.7
145.04948	19.1
145.10089	22.0
147.11681	11.0
149.13223	18.0
151.11174	6.4
159.11656	16.1
161.13185	2.9
163.06012	30.7
163.11137	2.0
170.87509	1.9
173.13232	11.9
177.12772	2.3
187.14798	9.1
197.66296	2.0
205.19455	5.0
215.17931	71.9
233.18967	100.0
307.22610	23.6
325.23679	35.6
367.71097	2.3
428.92697	2.2
534.33472	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	666.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01858	1.2
55.05500	1.0
56.04998	0.6
57.02185	0.2
57.03432	2.4
58.06580	0.2
60.04500	0.5
61.02918	2.7
67.05500	1.0
68.04986	0.3
68.99769	0.4
69.03418	13.1
69.07059	1.1
69.68843	1.2
69.69264	0.5
70.06585	6.0
71.01314	0.5
71.04971	1.3
71.06907	0.2
72.08134	1.6
73.02905	2.2
74.06055	0.3
79.05448	0.8
79.90788	0.2
81.03405	9.6
81.07012	0.5
82.06577	0.9
83.01290	0.3
83.04929	0.8
83.08552	0.3
84.04501	1.2
84.07690	0.2
84.08137	2.2
85.02892	19.9
86.09696	2.0
87.00817	2.6
87.04453	1.4
91.03910	0.6
91.05455	1.0
93.07046	1.0
94.06513	0.8
95.04915	0.5
95.08569	0.7
96.07613	0.2
96.08110	1.9
97.02879	10.2
98.06004	0.6
99.04438	3.3
101.02316	0.6
101.07044	0.3
102.05507	0.5
103.03934	1.6
105.01852	2.0
105.06997	0.4
107.04915	0.3
107.07310	0.6
107.08539	0.6
108.08118	1.4
109.02864	10.0
109.08831	0.4
110.07108	0.8
110.09627	0.7
111.04396	0.4
115.03873	0.6
116.07068	0.3
117.01811	0.3
117.03317	0.3
119.04852	0.2
119.08517	0.5
120.08074	1.2
121.02901	0.2
121.06387	0.2
121.10120	0.4
122.09638	1.2
122.88648	0.2
123.04411	0.2
123.10403	0.3
124.11188	0.8
125.02347	0.3
126.05484	0.4
127.03896	12.9
129.01778	0.9
129.05443	0.2
129.10239	1.4
130.04950	0.3
133.04962	0.2
133.10022	0.2
135.04405	0.5
135.11633	0.3
136.07510	0.9
137.05916	0.3
139.03854	0.4
145.02765	0.6
145.04948	3.3
145.10121	0.2
146.16495	0.3
147.02864	0.5
147.04378	0.2
156.07643	0.3
159.02885	1.9
163.03876	3.7
163.11214	0.2
164.04176	0.3
169.04887	0.2
169.13388	0.3
170.11661	0.2
176.14339	0.2
187.05984	2.2
189.03868	0.3
192.17482	0.4
197.12961	0.2
202.15939	0.6
203.41211	0.2
205.06976	1.0
209.15439	0.3
213.03809	0.4
218.15410	0.5
220.16940	10.9
231.04936	0.9
238.17976	16.9
239.18320	0.3
256.19037	100.0
257.19302	1.2
376.73758	0.2
399.21783	0.3
400.23068	0.3
418.24060	0.4
460.25659	0.4
496.27374	1.2
504.24371	0.7
530.31738	0.2
622.30670	4.3
666.29559	48.7
667.29950	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	665.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09321	0.2
51.96688	0.2
53.03939	0.2
53.33004	0.2
55.01846	0.8
55.05505	3.2
56.05023	1.2
57.03396	0.4
58.06335	0.3
58.06590	3.0
59.04974	0.5
65.03888	0.2
67.05170	0.4
67.05493	4.9
68.05013	0.4
69.03391	0.4
69.07060	3.2
69.42588	1.0
69.43006	1.6
70.02906	0.3
70.06581	19.1
71.04955	0.9
71.06889	0.3
72.08150	1.8
79.05486	3.9
80.04987	0.5
81.03387	0.5
81.05779	0.3
81.07045	9.0
82.06567	1.7
82.07379	0.3
83.04955	0.7
83.08611	1.6
84.04488	1.6
84.08128	4.4
85.02875	1.1
85.06505	0.7
86.06048	0.3
86.06945	0.3
86.09692	3.7
87.04423	0.4
87.22870	0.3
91.05053	0.2
91.05475	2.4
93.07030	3.9
94.06032	0.3
94.06560	2.1
95.01315	0.4
95.04938	1.1
95.08593	8.2
96.08115	2.6
97.02865	0.5
97.06494	0.8
97.10130	1.2
98.06026	0.4
98.09676	2.4
99.04453	0.2
100.11243	0.6
101.05968	0.4
101.07086	0.2
102.05519	0.3
103.05416	0.4
105.07010	2.4
106.06512	0.6
107.04903	0.4
107.07382	1.2
107.08086	0.2
107.08577	2.3
108.08102	2.7
109.02878	0.3
109.06480	0.9
109.08926	0.4
109.10137	2.7
110.07185	0.5
110.09676	1.3
111.04420	0.5
111.08086	0.4
112.07615	0.3
112.08673	0.3
115.05394	0.3
116.06234	0.3
117.06980	0.5
118.06546	0.6
119.07271	0.3
119.08562	1.8
120.08089	2.8
121.08832	0.8
121.10143	1.4
122.05993	0.2
122.09661	2.6
123.04356	0.5
123.08035	0.8
123.10431	0.5
123.11668	0.9
124.07557	0.4
124.11221	0.8
125.09610	0.5
126.09099	0.3
127.03899	0.6
129.06934	0.5
129.10251	1.7
130.06548	0.4
131.07301	0.4
131.08519	1.0
132.08072	1.9
133.10094	1.0
134.05956	0.7
134.09607	0.8
135.11627	0.6
136.07590	1.2
136.11131	0.6
137.05847	0.4
137.09573	0.4
140.06979	0.3
140.10661	0.5
143.08531	0.5
144.08055	1.4
145.06427	0.5
145.08829	0.7
145.10085	1.1
146.05943	0.3
146.09627	1.0
147.04370	0.3
147.06721	0.4
147.10408	0.3
147.11604	1.0
148.07513	1.1
148.11179	0.3
149.09624	0.3
150.12727	0.3
154.12238	0.3
156.07953	0.3
157.08786	0.5
158.05957	0.3
158.09631	0.9
159.06723	0.3
159.07942	0.3
159.09172	0.4
159.10489	0.4
159.11678	0.6
160.07574	1.8
160.11104	0.5
161.13148	0.3
162.05467	0.7
162.09100	0.7
163.11122	0.5
163.14757	0.2
164.03349	0.5
164.06978	0.3
166.04987	0.3
167.07022	3.4
170.09625	0.6
170.11667	0.3
171.11465	0.3
172.07550	1.0
172.11156	0.5
173.05936	0.7
173.09656	0.3
174.05450	1.2
174.09145	1.3
176.06978	1.4
176.14217	0.3
178.04939	0.9
181.04932	1.1
182.15323	0.7
183.14848	0.3
184.07581	0.3
184.11107	0.3
186.05434	0.3
186.09073	0.7
186.12633	0.4
187.14862	0.4
188.03436	0.3
188.07043	1.0
188.14255	0.3
190.08582	0.3
190.15868	0.3
192.06563	0.4
192.17552	0.4
194.15343	0.6
194.18954	0.7
198.12836	0.3
200.07036	0.6
200.10699	0.3
200.14290	3.3
201.12686	0.3
202.08575	0.6
202.15926	1.1
204.06523	0.9
206.08051	0.4
210.14847	0.6
212.14464	0.3
212.16420	1.1
214.08611	0.4
214.12326	0.3
214.15771	0.4
216.06383	0.3
216.13701	0.4
218.08281	0.3
218.15340	1.2
220.16942	9.8
221.17204	0.3
222.18500	27.9
223.18816	1.0
228.13765	0.5
230.15228	1.4
234.14833	0.8
236.16411	1.1
238.07083	0.9
238.17975	10.9
238.68166	0.6
239.18596	1.3
240.19548	92.9
241.19876	2.8
242.15413	0.5
250.18024	0.8
252.08588	0.4
253.09517	0.3
254.17578	1.3
254.21127	1.0
256.13297	3.1
256.19046	0.7
258.14877	3.8
258.20609	2.4
260.16403	0.8
267.11487	0.3
270.14731	0.9
272.16257	0.6
274.14459	0.5
274.18048	0.3
276.15872	1.0
284.12799	2.7
284.16129	0.5
285.12296	0.4
286.14343	2.1
286.17734	0.6
288.15912	1.0
290.17648	0.4
296.16318	0.4
298.14261	1.6
300.15955	0.5
302.13806	1.2
302.17319	0.5
304.15356	0.8
312.15942	0.6
313.11737	0.3
314.17294	1.4
316.15332	3.0
316.18182	0.3
320.14932	3.7
325.18790	0.3
328.15402	0.5
330.16986	1.0
332.18439	0.5
334.16556	1.2
340.15347	0.4
345.14624	0.3
346.16501	0.6
348.18002	0.7
358.16565	1.5
366.19135	0.4
373.13831	0.5
376.17499	2.2
394.18570	6.4
395.78702	0.3
417.15341	2.6
418.15384	0.6
426.21320	0.5
473.33389	0.3
475.35159	1.0
477.36493	0.3
489.36896	3.5
491.34717	5.5
492.34863	0.3
531.37952	0.3
553.35620	0.4
555.33679	0.7
571.37683	0.6
573.35516	1.6
605.34125	0.5
615.25006	0.6
615.36243	2.3
629.34473	1.3
633.37360	100.0
634.27618	0.4
634.37756	6.1
647.25580	0.4
647.36865	3.6
665.36517	14.1
666.36700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26290	0.4
54.89323	0.3
55.01854	0.5
55.05508	2.5
56.05037	1.9
57.03408	0.4
58.06590	0.7
64.48036	0.3
65.03921	0.6
67.05494	6.2
69.03405	0.6
69.07059	1.2
69.46580	3.3
69.46984	0.9
70.02947	0.4
70.06582	10.0
70.45923	0.4
71.04984	0.6
72.08142	1.7
72.94255	0.4
79.05476	3.6
80.05012	3.5
81.03362	0.5
81.07050	4.3
82.06570	2.7
83.04958	0.6
83.08607	1.5
84.04488	1.8
84.08128	3.8
85.02895	1.3
85.06496	0.5
86.06050	0.9
86.09692	4.2
88.03975	0.4
89.06026	0.6
91.05465	1.9
93.05769	1.3
93.07044	2.6
94.06560	3.9
95.04977	0.9
95.08572	2.4
96.08109	2.1
97.10146	0.9
98.06048	0.9
105.07021	1.8
106.06556	3.2
107.04967	0.5
107.07328	3.3
107.08545	1.8
108.08110	4.0
109.06526	1.3
109.10120	0.6
110.06017	0.6
110.07158	0.6
110.09663	0.8
112.07600	0.9
117.06996	0.9
118.06511	0.8
119.08540	1.1
120.08097	7.3
121.08923	0.6
121.10121	1.0
122.09631	2.1
122.56881	0.4
123.04391	0.5
123.08074	0.6
123.11579	0.4
124.11221	3.8
125.08384	0.8
125.09589	0.9
126.09235	0.5
127.03901	0.7
128.06169	0.4
129.06987	0.5
129.10242	0.8
130.05034	0.5
131.07304	0.5
131.08525	1.1
132.08093	2.6
133.08714	0.6
133.10109	0.6
134.06001	1.2
134.09651	1.8
135.08040	0.5
135.11717	0.9
136.07565	1.7
137.05992	0.8
138.05453	0.6
138.09126	0.9
143.08534	0.6
144.08118	1.6
145.08902	0.7
145.10072	0.9
146.05974	0.7
146.09668	1.3
147.04378	0.4
147.06787	1.5
148.07541	1.9
148.11215	0.5
152.10699	0.8
155.08260	0.5
156.10156	0.4
157.08691	0.4
158.09660	1.6
160.07562	2.4
162.05444	0.6
162.09148	1.2
166.08636	1.2
170.09589	0.9
170.11725	2.7
172.07579	1.1
172.11234	0.4
173.08379	0.5
173.13188	0.7
174.05540	1.9
174.09126	1.0
174.12737	1.1
176.07053	1.8
176.14343	0.5
178.05035	0.9
180.13840	1.0
184.07518	0.4
184.11290	0.6
186.05562	1.0
186.09155	0.9
188.07066	1.3
188.14380	0.7
190.08704	0.4
190.15842	2.5
192.13855	1.5
196.11298	0.5
198.09204	0.5
198.12827	0.5
198.14906	1.1
200.07080	1.0
200.10768	0.4
200.14320	7.1
201.12523	0.6
202.08714	0.5
202.15932	1.0
204.06537	1.1
204.13852	0.5
206.15456	2.1
208.16953	4.2
209.73184	0.4
210.14954	1.1
214.08589	0.6
214.15852	0.8
216.13875	0.9
218.15367	9.4
220.16858	2.6
222.14813	0.7
222.18477	0.6
224.16499	1.7
226.18048	1.6
228.13850	0.7
230.15414	1.9
232.17062	0.6
234.14984	1.1
236.16414	17.2
238.17975	4.4
239.11671	0.8
240.13843	0.6
240.19479	1.9
242.15352	0.5
244.12929	1.6
245.12994	0.6
251.11781	0.4
252.15974	1.0
253.09627	0.5
254.17484	17.8
256.13290	6.0
256.19095	1.2
258.14862	5.3
260.16519	1.4
267.11249	0.9
268.16788	0.4
270.14612	0.4
272.18539	18.6
274.14609	0.8
276.15988	0.7
280.19034	0.9
284.12820	3.3
284.16364	1.0
285.12219	0.5
286.14365	3.0
286.17529	0.6
288.12006	0.4
288.15805	0.8
290.17749	0.5
296.16498	0.5
298.14404	1.1
300.15924	0.7
302.13913	1.7
302.17184	0.7
304.15411	1.4
304.18674	0.6
311.10355	0.6
312.15872	2.0
313.11676	2.6
314.17252	0.8
315.13565	0.5
316.15475	2.0
316.18677	0.4
320.14841	4.6
325.11765	0.5
326.19650	0.5
328.15500	1.3
330.16943	1.0
332.18491	0.7
340.15210	0.6
341.11298	1.1
346.16379	0.7
348.17987	0.9
358.16336	3.7
373.13901	7.2
374.14572	0.4
376.17490	4.7
376.21838	0.5
387.14700	0.4
394.18536	4.7
396.20172	0.5
448.18668	1.1
450.20059	0.9
476.18250	2.2
477.18524	0.6
491.34708	4.6
492.34952	0.4
508.21005	0.6
535.30945	0.4
569.32153	0.4
581.32440	0.4
587.33020	1.2
611.33167	0.8
615.24408	0.8
619.27393	0.7
629.34161	4.1
630.34003	0.5
633.25671	1.0
647.35297	100.0
648.35516	4.2
665.36499	17.3
666.36053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01829	0.5
55.05500	3.5
56.05017	1.3
58.06573	0.6
60.04490	0.7
61.51288	0.2
63.53405	0.2
65.03906	0.3
67.05491	3.1
68.05015	1.6
69.03391	0.5
69.07056	4.4
70.02921	0.4
70.06582	23.0
71.04955	0.4
71.06879	0.7
71.64989	0.3
72.08142	3.2
74.06070	0.6
79.05479	5.2
80.05009	1.7
81.05765	0.3
81.07043	3.3
82.06576	2.0
83.04949	0.3
83.08575	1.0
84.04490	2.9
84.08129	3.3
85.02859	1.2
85.04813	0.3
85.06532	0.3
86.09696	5.8
87.05536	0.4
87.10027	0.3
88.03915	0.4
91.05467	2.0
93.05755	0.4
93.07033	3.4
94.06552	5.3
95.04914	0.7
95.07301	0.8
95.08589	2.1
96.08113	7.4
97.02837	0.6
97.06463	0.3
97.10119	0.9
98.06046	0.6
98.09659	0.5
101.07098	0.5
102.05528	1.7
104.05276	0.9
105.07035	2.1
106.06494	0.9
107.04915	0.4
107.07321	3.3
107.08571	2.5
108.08099	10.8
109.06454	0.6
109.08922	1.4
109.10132	0.5
110.07171	1.6
110.09669	2.7
111.08125	0.3
113.80219	0.3
115.05479	0.3
115.08671	0.4
116.07062	0.5
117.06985	0.5
118.06534	0.7
119.08554	1.4
120.08080	5.1
121.08873	0.5
121.10098	0.7
122.05930	0.2
122.09651	6.0
123.08016	0.5
123.10439	1.4
124.07535	0.5
124.11211	2.0
126.05441	0.7
126.09087	0.3
127.03905	0.3
129.06860	0.3
129.10225	2.0
130.04939	0.7
130.06531	0.6
130.08643	0.4
131.04863	0.3
131.07242	0.4
131.08513	0.6
132.08028	0.9
133.10066	0.7
134.05984	0.7
134.09645	1.3
134.10539	0.3
135.10434	0.3
135.11641	0.5
136.07515	1.6
136.11191	0.9
137.05917	0.4
137.09572	0.5
138.09091	0.4
138.12680	0.3
141.06592	0.3
143.08505	0.5
144.08046	0.9
145.08881	0.3
145.10080	0.9
146.05951	1.0
146.09578	0.7
147.04372	0.4
147.07664	0.6
147.11389	0.5
148.07483	0.4
148.11154	0.5
150.05463	0.3
152.10672	0.3
156.07985	0.3
158.06003	0.5
158.09593	0.4
159.11601	0.3
160.03844	0.7
160.07532	1.0
160.11185	0.4
161.13188	0.4
162.05476	0.9
162.09058	0.3
162.12654	0.3
163.11125	0.5
167.06996	1.0
169.13313	0.9
170.11763	1.5
172.03949	0.5
172.07527	0.6
174.05470	0.6
174.09067	0.4
174.12755	0.5
176.06937	0.5
176.14311	0.9
181.04845	0.3
181.09660	0.9
183.14888	2.0
184.07527	0.4
185.13177	0.3
186.12744	2.5
188.07022	0.8
188.14297	0.6
190.04936	1.0
190.08513	0.4
190.15840	1.3
192.06512	0.3
192.13812	0.7
192.17432	1.6
195.11354	0.3
197.12910	0.3
198.12790	0.3
199.10719	0.7
200.07161	0.5
200.10507	0.2
200.14175	0.5
202.04939	0.3
202.08560	0.5
202.15871	2.4
204.06532	0.4
204.13799	1.8
207.13770	0.3
209.09149	0.7
209.15268	0.7
211.14407	0.7
212.14265	0.3
213.08624	0.3
216.06476	0.3
216.13789	1.3
218.15384	5.5
220.16925	42.8
221.17302	0.8
222.14867	3.5
222.18402	0.6
226.12198	0.5
226.15729	0.3
227.10196	1.1
228.13797	1.6
234.14827	0.3
236.16388	3.4
238.17975	83.1
238.68089	0.4
239.18365	1.9
240.13832	0.5
240.19521	1.7
242.11665	1.9
242.15378	0.4
244.13260	2.3
244.16603	1.1
246.14835	0.5
247.18521	0.4
250.14233	0.3
254.11710	0.7
254.17543	0.8
256.13263	1.2
256.19055	7.7
258.14813	0.6
260.12994	0.4
262.14349	0.3
268.13434	0.3
268.16772	0.3
270.11246	1.4
270.14670	0.4
271.10486	0.3
272.12695	1.6
274.14359	0.7
282.11325	0.4
284.13022	0.3
286.14297	0.7
288.12286	0.8
288.15726	0.7
290.13910	0.3
296.12790	0.6
298.14267	1.0
300.12323	0.8
300.15610	0.5
302.14017	0.5
304.15192	0.3
306.13303	2.1
306.16586	0.4
310.14557	0.3
310.20239	0.3
314.13852	1.0
316.15308	0.7
316.18600	0.4
318.13269	1.3
318.16751	0.5
320.14868	0.5
330.16864	0.5
332.14966	0.8
337.14108	0.3
341.21777	1.1
344.14966	1.6
350.15927	0.4
362.15906	2.1
374.15836	0.8
374.97855	0.9
380.16879	2.7
385.20889	0.3
388.95709	0.3
392.16910	0.9
392.98999	0.9
410.17920	1.4
412.19574	0.3
417.15488	0.5
475.35318	0.6
491.34854	2.9
519.02161	0.9
520.27789	0.6
548.26898	0.3
567.31934	0.5
569.32013	0.6
587.33319	0.9
599.32697	0.4
617.34338	3.3
623.15405	0.3
629.34296	1.2
647.35291	100.0
648.35760	3.3
664.85596	0.3
665.36328	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	665.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93864	0.3
53.03926	0.4
55.05505	2.7
56.05014	1.4
57.03408	0.4
58.06580	0.4
60.04501	0.4
61.83933	0.3
64.48726	0.3
65.03902	0.4
65.49746	0.3
67.05495	4.4
68.05007	1.2
69.03417	0.6
69.07057	3.2
69.85558	0.8
69.85965	1.5
70.06580	6.8
71.04993	0.4
72.08154	1.5
74.06066	0.5
79.05483	3.9
80.05007	1.7
81.07044	3.3
82.06575	1.7
83.08607	0.9
84.04475	1.1
84.08130	17.8
85.02890	0.5
85.06584	0.3
86.06080	0.3
86.09672	2.0
91.05472	1.8
93.05756	0.7
93.07018	2.9
94.06564	3.6
95.04954	0.7
95.07333	0.6
95.08570	2.3
96.08113	4.8
97.10147	0.7
98.09669	0.5
98.21457	0.6
105.06983	1.6
105.13383	0.3
106.06548	1.4
107.04951	0.4
107.07331	2.7
107.08556	2.4
108.08102	6.8
109.06495	0.7
109.08884	1.1
109.10141	0.9
110.07153	0.6
110.09671	1.6
117.07017	0.5
119.08576	1.3
120.08089	4.1
121.08872	0.4
121.10134	0.8
122.09659	4.1
123.10435	0.4
124.07545	0.5
124.11219	2.6
125.55381	0.3
129.10226	0.7
130.04976	0.4
130.06499	0.6
130.08597	1.6
131.08559	0.9
132.08121	0.4
133.10156	0.7
134.09616	1.3
135.11719	0.5
136.07550	1.1
136.11177	0.5
137.05927	0.3
138.09042	0.4
143.08537	0.6
143.11847	0.4
144.07985	0.4
145.10089	0.7
146.09677	0.4
147.11397	0.5
152.10669	0.4
158.09688	0.5
160.07588	0.4
160.11168	0.4
161.09564	0.3
162.05475	0.3
163.11095	0.4
167.07079	0.6
170.11760	1.1
174.12772	0.4
176.14337	0.7
180.13988	0.4
190.15848	1.6
192.13834	0.7
192.17484	1.2
194.15337	0.4
202.15904	1.1
204.06393	0.4
204.13875	0.9
206.15395	1.3
208.16928	1.2
212.16478	0.6
218.15363	5.6
220.16931	23.1
222.14920	0.7
222.18520	2.3
224.16397	1.4
226.18103	0.5
230.15627	0.3
236.16405	8.0
238.17978	38.5
239.18475	0.6
240.19551	6.2
254.17462	13.1
256.19019	5.8
256.21609	0.4
258.14804	0.7
272.18542	1.3
313.11752	0.7
318.27899	0.8
326.13828	0.4
330.17133	0.4
336.28860	0.4
348.17978	0.5
373.13919	1.4
374.15961	0.4
381.31018	1.7
392.16843	0.4
399.32114	2.4
410.18268	1.4
417.33176	5.3
447.07361	0.3
459.32166	0.4
473.33881	2.1
476.35184	0.4
489.36987	0.5
491.34729	100.0
492.35016	3.7
558.72949	0.3
611.33118	1.1
617.34369	0.5
629.34198	11.1
633.37146	2.1
647.35278	11.1
665.36786	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	663.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01830	0.5
55.05502	3.1
56.05008	0.4
58.06582	0.4
58.90439	0.2
67.05499	2.6
68.05029	0.9
68.74165	0.2
69.03388	0.3
69.07056	3.8
70.06584	4.3
71.04945	0.5
71.06853	0.2
71.38342	0.3
72.08114	0.5
79.02311	0.2
79.05073	0.2
79.05480	3.6
79.21940	0.2
80.05013	1.0
81.07038	2.9
82.06563	2.0
83.04979	0.2
83.08564	0.8
84.04450	0.4
84.08115	1.0
85.02863	0.6
85.06517	0.2
86.09706	1.1
91.05467	1.8
93.05751	0.2
93.07036	2.6
94.06020	0.3
94.06555	3.8
95.04915	0.5
95.07306	0.4
95.08595	1.9
96.08116	5.7
97.06475	0.3
97.08868	0.3
97.10116	0.7
98.09679	0.3
100.80856	0.2
105.07016	1.3
106.06510	0.6
107.07323	2.1
107.08562	2.0
108.04395	0.2
108.08102	8.1
109.06508	0.3
109.08892	1.2
109.10123	0.4
110.06010	0.2
110.09660	1.8
115.05288	0.2
117.06963	0.6
118.06444	0.3
119.08558	1.0
120.08079	3.1
121.06512	0.2
121.08852	0.4
121.10089	0.7
122.09653	4.8
123.10484	0.9
124.07571	0.5
124.11216	1.8
129.06940	0.3
129.10248	0.5
130.06433	0.2
131.07220	0.3
131.08516	0.6
132.08054	1.4
133.08707	0.3
133.10068	0.7
134.05977	0.6
134.09631	1.2
134.10487	0.2
135.10446	0.3
135.11618	0.3
136.07562	1.6
136.11186	0.9
137.83324	0.2
138.09111	0.6
143.08513	0.5
144.08037	1.4
145.08954	0.2
145.10059	0.9
146.05933	0.6
146.09610	1.0
147.06703	0.4
147.10316	0.2
147.11485	0.2
148.07530	0.8
148.11159	0.6
151.07443	0.2
152.07043	0.4
157.10060	0.3
158.05939	0.2
158.09607	0.6
159.10399	0.2
159.11685	0.2
160.07539	1.1
160.11217	0.4
161.09503	0.3
161.13196	0.4
162.05428	0.4
162.09048	0.3
162.12801	0.4
163.11125	0.3
164.07053	0.7
170.09532	0.3
170.11783	1.1
171.10449	0.2
172.07542	0.4
172.11131	0.3
174.05576	0.4
174.09128	1.0
174.12738	0.3
176.07039	0.8
176.14273	0.6
178.04982	0.5
178.08563	0.3
178.12184	0.2
184.07486	0.3
184.11104	0.2
185.13252	0.3
186.05559	0.3
186.09163	0.4
188.06975	0.8
188.10764	0.2
190.04976	0.3
190.08524	0.3
190.15865	0.6
192.06563	0.2
192.13806	0.6
192.17427	1.2
198.09361	0.2
200.07072	0.3
200.10678	0.3
200.14290	3.1
202.08516	0.3
202.15858	2.6
204.06522	0.6
204.13835	0.7
210.15077	0.2
214.15825	0.2
218.08194	0.2
218.15367	3.3
220.16930	32.8
221.17308	0.9
222.14906	1.6
222.18469	0.8
228.13777	0.3
230.15422	1.2
234.14816	0.6
236.16389	2.8
237.16649	0.2
238.17976	57.6
239.08156	0.4
239.18369	2.0
240.13672	0.6
240.19553	2.2
242.15282	0.3
250.18065	0.2
256.13333	2.8
256.19055	5.2
258.14859	2.6
260.16385	0.5
264.19547	0.3
270.14822	0.3
272.16370	0.3
274.14261	0.5
274.18027	0.4
276.16107	0.5
284.12753	1.8
284.16321	0.6
286.14423	1.6
288.15997	0.6
290.17557	0.4
298.14359	0.5
299.10220	1.0
300.16037	0.5
301.11835	0.2
302.13748	1.3
302.17197	0.4
304.15329	0.7
312.15839	0.6
314.17447	0.8
316.15350	1.1
320.14948	2.6
328.15305	0.4
330.17014	0.4
332.18542	0.3
334.16388	0.5
339.13248	0.2
340.15399	0.4
342.17026	0.3
343.16159	1.1
346.16431	0.4
348.17950	0.3
350.19464	0.2
358.16449	1.5
359.12225	0.4
376.17529	2.2
387.11768	0.3
391.11325	0.3
394.18546	5.0
395.19159	0.3
396.15283	0.2
396.20203	0.5
412.19052	0.3
466.41049	0.2
529.36328	0.7
535.31775	0.3
539.34741	0.3
551.34601	0.4
553.32404	0.6
571.33740	1.5
613.34735	0.7
631.35773	100.0
632.36127	6.5
645.25482	0.9
663.27472	0.4
663.38409	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	663.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01856	1.0
55.05503	4.3
55.27663	0.4
56.05001	1.9
57.03390	0.6
58.06582	0.7
59.05001	2.9
60.04493	0.9
65.03920	0.6
67.05493	4.7
68.04977	1.4
69.03390	1.5
69.07058	5.5
70.02910	0.5
70.06583	20.1
71.04981	1.0
71.06902	0.5
72.08145	6.2
79.05484	5.2
80.04980	1.1
81.03368	1.3
81.07048	5.4
82.06573	2.3
83.04940	0.7
83.08575	1.3
84.04500	2.5
84.08135	11.6
85.02892	3.0
85.06512	1.0
85.08460	0.5
86.09696	11.0
87.00790	0.5
88.03983	0.6
89.05988	0.9
91.05465	3.6
93.05775	0.5
93.07039	4.9
94.06557	6.0
95.04920	1.5
95.07333	0.7
95.08598	3.3
96.08131	6.5
96.08815	0.7
97.02870	0.8
97.06507	0.6
97.10118	1.0
98.09646	0.5
99.04429	1.1
102.05503	1.0
104.05280	0.6
105.01860	0.7
105.07015	3.4
107.04908	1.0
107.07346	4.6
107.08577	3.6
108.07442	0.7
108.08110	10.3
109.02851	1.0
109.06493	1.2
109.08875	1.1
109.10132	1.2
110.06010	0.5
110.07155	2.0
110.09668	2.8
112.08691	0.5
115.08640	0.7
116.07060	0.7
117.06952	1.5
117.09121	0.9
119.04839	0.6
119.08533	1.7
119.81299	0.4
120.08088	9.0
121.06441	0.8
121.08933	0.4
121.10079	1.5
122.05980	1.3
122.09663	4.9
123.08001	0.8
123.10420	1.1
124.07583	0.8
124.11220	2.1
125.07018	0.4
125.09560	0.6
127.03862	1.5
127.08654	0.9
129.06961	0.8
129.10239	3.2
130.08597	1.0
131.07294	1.0
131.08522	1.4
132.08092	2.0
133.08636	0.4
133.10112	1.0
134.05966	0.6
134.09602	1.8
135.08028	0.8
135.10408	0.4
135.11630	1.1
136.06142	1.2
136.07571	3.4
136.11160	1.0
137.05948	0.7
137.09592	0.5
138.09087	1.3
143.08440	1.1
144.08093	2.5
145.05005	0.4
145.08928	1.0
145.10066	1.2
146.06004	0.7
146.09598	1.7
147.04402	0.5
147.06668	0.5
147.11499	0.5
148.07518	1.3
148.11206	0.9
149.05989	0.5
149.09612	0.5
149.13196	0.4
152.07043	0.6
155.08179	0.7
157.10020	0.6
158.09628	2.5
159.02867	0.5
159.09116	0.8
159.10391	0.6
159.11647	0.8
160.07547	2.6
160.11185	1.2
161.09538	0.8
162.05478	0.5
162.09109	1.1
164.07010	1.1
166.08618	0.5
169.06364	0.5
169.09943	0.5
170.05922	0.5
170.09583	0.9
170.11781	0.8
171.07739	1.0
172.07484	1.2
172.11165	0.8
173.08276	0.6
173.13068	0.6
174.05507	1.7
174.09117	2.0
174.12645	0.7
175.13350	0.5
175.14703	0.6
176.06975	1.0
176.10619	0.4
177.05418	0.4
178.04956	0.6
180.06497	0.5
182.08125	0.6
182.09627	0.7
183.14841	0.7
184.11299	0.7
186.05492	0.6
186.09096	1.2
186.12621	0.6
188.06963	1.5
190.08730	0.5
190.15845	1.8
192.17401	1.8
198.09203	0.8
200.07076	1.1
200.14317	3.1
202.08554	0.7
202.15869	2.2
204.06544	1.1
204.10175	0.4
206.08069	0.5
212.14206	0.9
213.10057	0.5
214.08760	0.8
214.10828	0.5
218.08151	0.7
218.15359	8.7
220.16937	30.3
221.17384	1.0
222.14862	0.5
222.18552	2.4
225.10172	0.5
227.11720	0.9
229.13336	0.9
229.15469	1.9
230.08105	0.6
230.15488	0.8
234.14890	0.7
234.18330	0.7
236.16452	5.3
238.17987	55.8
238.68182	1.0
239.18613	3.8
239.69029	1.3
240.13786	0.7
240.19548	7.0
241.19771	1.1
242.15250	1.1
243.11281	0.5
245.12852	0.5
246.17796	1.8
246.67941	1.6
247.18459	1.7
250.18097	0.6
252.15958	0.7
252.19559	1.8
253.09741	0.5
254.15215	0.7
255.11191	0.8
256.13303	1.6
256.19101	4.7
257.12790	3.5
258.14944	3.0
260.16479	1.4
260.19241	0.5
267.11295	0.8
270.14627	0.8
271.10355	0.5
272.16364	0.6
274.18057	0.7
276.15833	1.2
281.08850	0.6
284.12769	1.2
284.16354	0.8
285.12219	2.2
286.14337	1.3
286.17975	1.2
288.15808	1.4
290.17520	0.7
296.16364	0.7
298.14420	0.7
300.15790	0.7
302.13989	0.6
302.17358	1.0
303.13370	0.5
304.15671	0.5
304.19012	0.6
310.14487	0.9
312.15793	2.5
313.11731	0.9
314.17471	2.7
316.15359	1.7
320.14984	1.0
328.15378	0.6
330.16895	0.9
332.18436	1.3
334.16269	0.5
339.09396	0.4
340.15375	1.1
342.17032	0.5
344.76620	0.4
350.19711	0.7
358.16275	1.3
360.18195	0.9
361.13885	0.7
368.20630	0.6
371.12430	0.5
373.13870	0.5
376.17889	0.5
378.19299	0.9
394.18530	1.9
396.19928	0.5
397.30597	1.3
398.28201	0.8
408.15591	0.6
415.31619	1.5
438.80170	0.7
475.35312	1.3
477.36972	1.1
487.35437	0.8
529.36017	0.8
540.19971	0.5
541.32977	0.7
553.33624	0.4
585.31989	0.5
595.34387	0.5
609.31824	1.0
613.23401	0.6
613.34595	0.8
627.32892	1.7
631.35797	100.0
632.36133	3.7
645.24658	0.9
645.35547	2.5
663.38147	11.7
664.37921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01856	4.6
55.05498	39.2
57.03419	14.9
57.07056	14.9
65.03928	7.0
67.05164	6.4
67.05497	98.1
69.07063	39.3
70.10975	19.8
71.04985	4.9
75.17923	3.7
79.05477	84.9
81.07046	100.0
82.07365	5.7
83.04978	7.2
83.08610	18.6
85.06524	6.9
87.03979	5.3
87.04462	70.7
91.05476	52.8
91.81700	3.3
93.07034	85.6
95.04951	14.8
95.08595	58.7
97.06502	13.1
97.10159	19.5
98.21541	3.8
105.06380	4.3
105.07020	52.1
107.04904	5.1
107.08579	57.4
109.06538	6.9
109.10159	25.4
111.08116	4.2
117.07002	18.8
119.08565	44.2
121.10116	40.5
123.08064	5.6
123.11673	10.1
125.09626	14.3
131.08565	27.5
133.10118	33.4
135.08078	4.0
135.11702	18.0
137.09511	4.3
143.08530	10.2
145.10115	26.6
147.11673	23.5
149.09612	10.9
149.13246	8.3
150.06815	3.9
157.10117	9.2
159.11633	23.1
161.13210	8.5
163.11087	5.6
169.10065	6.2
171.11665	9.1
173.13252	8.8
183.11658	3.9
185.13219	11.6
187.14729	5.1
189.11217	8.4
199.14758	4.0
201.16309	5.9
219.17395	6.4
227.12756	27.4
229.14255	4.8
233.18895	4.2
239.17979	5.0
257.18994	13.2
259.20401	5.9
261.22107	16.6
267.15903	13.2
275.20071	49.6
277.21637	7.5
317.24573	4.9
321.23914	4.2
327.07675	7.2
335.25793	97.7
336.25931	4.6
349.23706	48.5
383.14136	6.0
439.20215	6.5
485.44812	3.8
489.35913	26.8
490.35690	4.9
495.26547	7.4
500.93430	3.9
539.79431	4.6
551.32507	6.3
607.38696	7.1
609.45087	37.8
627.45209	6.2
662.44861	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	662.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01852	5.9
55.05502	28.9
57.03428	17.4
57.07063	13.0
58.23753	2.3
65.03940	6.1
67.05495	100.0
69.07058	28.1
71.04972	3.1
79.05481	62.8
81.03400	3.0
81.07042	98.0
82.07395	2.9
83.04950	9.8
83.08599	13.3
85.06522	5.0
87.04472	38.2
90.93187	2.6
91.05463	64.4
93.07033	87.2
95.04951	10.8
95.07986	3.4
95.08594	71.4
95.09178	5.5
96.33228	2.4
97.06505	8.9
97.10165	4.2
99.08078	3.9
105.07015	43.7
105.29701	2.7
107.08575	42.7
109.06516	5.4
109.10126	33.5
111.08067	7.1
117.06989	22.9
119.08568	33.9
121.06514	5.2
121.10123	30.1
123.08043	5.9
123.11674	6.3
125.09588	3.3
128.06178	2.8
128.91844	2.6
129.07001	7.9
131.08540	26.3
133.10098	27.1
135.11691	22.1
137.09555	4.3
143.08553	8.2
145.10118	18.2
147.08012	3.1
147.11676	14.0
149.09605	8.2
149.13246	10.9
155.08542	4.4
157.10068	6.4
159.11632	14.9
161.13260	7.5
163.11183	4.4
169.10132	5.2
171.11737	4.5
173.13245	7.8
175.14781	4.9
177.12642	3.4
183.11679	3.0
185.13275	6.1
187.14735	3.0
195.13797	3.1
197.13147	3.6
199.14789	5.1
201.16283	3.5
203.14262	3.0
219.17439	7.6
224.18767	3.2
229.14270	5.0
235.16908	3.0
239.18016	4.8
255.15924	3.0
257.18997	10.6
261.22101	10.2
269.17398	9.1
275.19986	26.7
277.21472	5.6
309.20575	8.0
333.24423	3.5
335.25748	91.0
336.25919	5.4
349.23547	17.1
367.24698	3.1
385.97354	3.0
489.36008	7.3
515.36908	6.9
529.38837	39.2
530.38165	3.6
543.40240	5.5
569.42065	35.7
570.41956	2.9
609.44781	10.3
610.44574	4.0
627.45001	3.1
646.19452	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	661.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19729	0.9
55.05495	1.2
58.56475	0.9
61.92838	0.9
65.88718	0.8
67.05471	2.7
69.03408	1.8
69.07043	1.6
70.06281	0.7
70.06584	7.2
70.88342	2.7
72.08139	2.9
76.63699	0.9
79.05472	2.8
80.04995	0.9
81.03374	1.0
81.07030	3.7
82.06576	1.2
84.04470	1.1
84.08131	2.0
85.02880	1.6
86.09680	4.7
91.05452	2.3
93.07039	4.8
94.06556	7.4
95.04954	2.2
95.07307	2.7
95.08601	1.9
96.07599	1.2
96.08116	9.9
97.02882	0.9
105.06982	0.9
106.06516	2.4
107.04909	1.7
107.07325	1.3
108.08103	14.2
110.09659	12.7
119.08579	1.2
120.04465	0.9
120.08087	15.3
122.06010	7.1
122.09655	1.4
124.07564	6.8
127.03870	0.9
132.08060	1.5
134.05960	7.6
136.06509	1.1
136.07556	23.1
138.09114	91.0
139.09450	1.2
144.04422	1.2
146.05989	12.2
148.07559	10.9
150.05409	1.4
150.09111	5.4
152.05844	1.9
152.07048	32.2
157.10022	1.0
162.05482	2.3
164.05698	1.1
164.07040	15.0
166.08601	7.9
172.03909	9.1
174.05479	1.9
174.09193	1.8
176.07039	6.2
182.08139	3.4
190.04941	7.3
194.08153	1.3
196.09984	1.0
197.10715	1.8
198.11411	1.3
199.12199	1.3
199.66403	1.2
204.06554	11.8
209.10745	3.3
210.11476	31.4
211.08676	1.1
211.12196	5.8
212.09288	1.7
213.10155	2.2
218.08112	3.5
220.16959	1.5
221.10765	2.7
222.09367	1.1
222.11467	1.1
223.12225	6.1
224.09286	2.5
224.12950	1.6
225.10130	7.3
225.13725	2.2
226.10994	4.2
227.11772	5.9
229.13388	1.7
235.08652	1.3
235.12289	3.3
236.09435	1.5
236.13042	1.5
237.10156	16.2
237.13860	2.7
238.10947	17.7
238.18016	2.5
239.08125	2.3
239.11761	11.3
239.18492	1.5
240.12410	1.3
240.19556	3.2
241.09573	2.6
241.13397	2.1
241.19881	1.5
245.12877	1.9
248.09424	2.5
249.10231	5.1
250.10873	4.7
251.08014	1.6
251.09047	1.4
251.11740	17.1
252.08815	1.9
252.12582	4.9
253.09697	2.5
253.13293	6.8
255.11195	3.8
256.11957	1.2
257.12683	1.7
259.41602	1.0
261.10129	1.0
262.10913	5.7
263.11807	11.8
264.08902	3.2
264.12436	3.8
265.09787	8.9
265.13104	8.3
266.10431	3.3
266.13828	1.0
267.11224	13.3
268.11951	3.2
269.12793	25.3
270.13345	1.8
271.10760	4.2
271.14297	4.7
275.11880	1.4
276.12418	1.4
277.09708	2.8
277.13275	2.5
278.10413	6.5
279.11234	61.7
280.11902	5.1
281.12772	5.6
282.10266	1.7
282.13596	7.8
283.10730	6.7
283.13840	1.7
284.11487	11.2
285.12280	17.2
287.14008	1.1
289.15463	1.5
291.11169	3.2
292.11896	1.7
293.09116	5.8
293.12787	9.9
294.13589	1.0
295.10938	4.4
295.14059	1.3
296.11536	9.3
297.12289	100.0
298.12756	6.8
299.13879	5.0
305.12701	1.2
307.10623	1.5
309.12286	29.8
310.13010	11.9
311.10144	6.5
311.13751	4.2
313.11902	3.2
315.13483	2.5
316.14423	1.9
319.10657	3.1
320.11746	1.1
321.12280	21.7
322.12509	2.1
323.10364	6.3
325.11774	8.8
326.12418	1.1
327.13193	4.5
328.14249	1.9
329.14975	2.7
330.12405	1.4
330.15924	2.1
337.11765	17.0
338.12427	8.2
339.09442	1.8
339.13364	24.7
340.13882	1.6
341.11194	1.3
342.15955	1.2
356.17511	1.8
357.14276	4.8
358.15411	3.6
359.16479	1.2
360.17303	1.7
362.18787	1.8
369.14374	35.6
370.15259	5.2
371.15994	23.1
372.16827	2.0
372.20819	3.0
373.13831	3.3
374.18753	2.0
376.16357	1.1
384.17157	1.2
388.16440	2.2
390.18002	1.2
392.19617	2.0
396.16925	1.1
400.16360	3.1
402.18018	2.2
404.19614	3.5
408.18997	2.2
412.16711	1.9
414.17990	2.2
416.19647	7.7
418.17047	4.7
420.18762	1.3
421.19940	14.9
422.20728	12.4
424.16248	2.0
430.17612	11.8
432.19049	2.8
439.64676	1.0
442.17554	5.4
444.19070	2.6
446.20822	8.4
447.17850	2.9
448.18652	46.6
449.19254	7.2
450.20160	7.7
460.18616	82.3
461.19162	4.6
462.20230	6.6
463.20853	5.6
464.21524	3.2
465.18564	1.8
466.19556	3.6
472.18433	3.4
474.16751	2.3
477.36594	1.6
478.19418	1.6
478.37131	3.0
479.37170	2.1
480.21323	9.5
490.19659	1.8
492.21268	60.9
493.21405	2.7
494.22571	4.1
495.23801	10.6
506.19040	1.4
507.19751	1.8
508.20499	1.4
538.21521	3.4
539.22375	1.8
549.24695	1.0
567.25916	13.0
585.27039	25.1
586.27942	1.6
611.24957	10.6
617.29535	2.2
629.25763	7.6
643.26758	3.0
654.11218	1.1
661.28088	2.7
661.38501	1.8
664.92499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32518	1.5
55.05485	3.4
65.03924	4.4
67.05482	4.5
69.07047	5.7
69.31466	14.6
69.31872	1.9
70.06583	100.0
70.50139	1.5
71.04999	1.5
71.06925	1.9
72.08141	7.8
77.03925	1.6
79.05502	2.7
80.05011	1.5
80.72803	1.6
81.03412	2.0
81.07041	4.9
82.06568	2.3
83.08613	1.9
84.04470	3.2
84.08122	4.0
85.02900	2.4
86.09691	45.1
89.06009	2.4
91.05481	5.2
92.04995	3.0
93.07031	3.8
93.83496	1.4
94.06564	9.8
95.04944	3.6
95.07367	1.7
95.08579	3.0
95.09782	1.3
96.04497	1.4
96.08121	7.3
98.20712	2.5
102.05553	1.4
104.04973	3.4
105.05317	1.6
105.06989	2.5
106.06563	3.6
107.04910	2.0
107.06803	1.5
108.04465	10.8
108.08112	11.0
109.04805	2.9
110.07130	1.7
110.09669	10.3
112.08700	1.5
113.07117	3.7
115.08674	3.3
120.08084	25.2
122.06018	5.3
122.09644	2.6
124.07539	4.1
131.08606	2.0
132.08055	2.2
132.10207	2.5
133.08632	1.3
134.05992	35.0
135.06358	11.3
136.06519	2.3
136.07565	22.4
137.07880	2.7
138.05490	17.8
138.09120	58.4
139.05817	5.2
139.09476	2.9
140.06108	1.5
144.08072	2.6
145.10123	2.1
146.05991	9.4
148.07565	6.2
150.05466	2.1
150.09125	5.0
152.03427	1.6
152.07043	16.3
157.13335	5.8
159.09222	2.1
160.07426	1.6
162.05496	4.2
163.07614	1.6
164.07056	12.1
166.04967	12.1
166.08620	5.3
167.05339	2.9
167.06906	1.4
168.05464	1.9
170.08351	1.9
170.09734	1.8
172.03925	4.7
174.05455	3.0
174.09111	1.4
176.07047	3.0
178.04964	37.2
179.05305	16.9
180.05478	5.1
182.08194	3.3
182.09706	2.0
183.09048	3.2
183.14909	17.4
184.07681	1.9
184.09740	4.1
184.15207	1.6
185.10594	2.5
185.12823	1.6
186.11205	1.4
190.04973	5.6
192.11179	1.7
196.09700	1.6
197.10699	5.8
198.11180	2.0
201.10133	1.6
204.06535	10.0
207.09148	1.8
208.14563	1.3
209.10674	6.3
210.11455	27.4
211.08658	3.7
211.11974	12.1
211.14407	15.0
212.09235	4.0
212.14633	1.6
213.09937	1.7
213.14043	2.0
214.10593	2.6
215.12679	1.8
218.08195	1.4
220.16945	3.7
221.10643	3.2
222.11470	1.7
222.18530	2.3
223.08649	2.7
223.12303	3.2
224.09291	2.1
225.10220	10.4
225.17192	1.5
226.10715	3.1
227.11652	5.8
229.09702	3.0
229.13280	4.7
237.10175	8.1
237.13406	6.8
238.10953	10.3
238.17984	5.6
239.08119	4.8
239.11746	11.0
239.18411	1.8
240.08397	3.3
240.12321	2.7
240.19514	5.8
241.09918	4.4
241.19890	2.1
242.10388	2.4
243.11272	4.6
244.11644	4.9
245.12643	5.4
246.13133	3.1
248.09457	1.7
249.10188	3.9
250.07011	2.0
250.10855	4.2
251.07890	2.6
251.11752	10.6
252.08339	1.6
252.12479	2.4
253.09673	6.9
253.13443	3.2
254.10150	5.1
254.16110	1.6
255.11423	6.6
256.11667	3.3
257.09055	2.8
257.12869	6.8
257.16464	1.6
258.13232	5.6
259.13519	2.9
262.10947	2.3
263.11673	8.4
264.08817	2.3
265.09628	5.6
265.13339	5.1
266.10327	3.3
267.07404	1.5
267.08588	1.9
267.11194	13.6
268.11765	1.9
269.12796	17.2
270.13147	6.1
271.10721	18.5
271.14063	4.3
272.11240	28.5
273.11786	17.3
274.09442	1.7
274.12231	8.3
278.10571	2.6
279.08151	2.0
279.11237	29.7
280.12009	3.0
281.12881	3.7
282.13599	5.5
283.10703	7.2
283.14005	1.8
284.11365	7.5
285.12289	26.7
286.12616	19.5
287.13049	9.7
288.14294	3.2
289.14523	1.6
291.11197	2.5
293.09262	3.1
293.12683	3.1
295.10706	6.9
296.11407	6.2
297.12308	52.8
298.09213	2.3
298.13184	1.7
299.09964	2.4
299.13681	2.8
301.11835	31.8
301.15237	1.6
302.12119	29.6
303.12729	21.4
304.13660	12.6
305.13818	6.5
307.07266	1.8
309.12280	18.9
310.13214	8.0
310.21161	4.5
311.10223	4.0
311.13855	2.6
313.11752	14.8
314.12259	4.1
315.13052	4.1
321.12213	11.5
323.10190	4.8
325.11807	6.4
327.13464	2.6
331.12637	2.0
337.08221	2.2
337.11667	12.7
338.08398	7.3
338.12424	4.3
339.08936	4.8
339.13440	8.0
341.11212	5.1
355.09158	3.9
356.09589	5.0
357.09882	5.2
357.14429	5.5
366.08005	2.1
369.14386	22.5
370.15103	3.5
371.16089	12.8
372.20782	2.6
373.13910	24.1
374.14694	1.8
383.08615	4.8
384.08890	4.9
385.09354	4.9
388.16385	2.0
392.19424	2.0
395.17010	1.7
401.09634	2.5
402.10037	5.5
403.10190	4.6
404.19608	3.5
408.18628	2.1
416.19653	5.3
418.17328	3.4
419.17392	1.6
420.19067	2.1
421.19818	8.3
422.20541	9.6
430.17596	8.0
438.19626	2.7
439.20502	4.3
440.20761	4.7
442.17480	3.7
444.19885	2.0
446.20627	3.8
448.18591	31.1
449.19366	3.6
450.19952	4.4
460.18634	52.3
462.19943	2.6
463.20905	3.3
464.21606	2.0
466.19702	2.3
472.18613	2.2
474.16357	2.6
477.36496	2.6
478.37143	3.6
479.37399	2.9
480.21176	6.3
490.19641	2.4
492.14490	2.2
492.21271	34.5
494.22623	2.7
495.23514	4.1
503.30569	3.9
503.80988	1.9
530.24805	2.6
531.24976	6.7
538.21576	2.2
539.21442	2.5
555.25012	2.0
567.25708	7.0
568.85541	16.4
569.22351	3.2
569.35706	13.1
571.24579	34.8
572.25757	7.6
573.26038	65.8
581.23187	3.4
585.26978	19.4
597.23572	3.2
598.23621	3.8
599.23975	46.8
611.25012	8.2
615.23853	2.1
616.25183	1.7
617.24805	31.4
625.21503	2.6
629.25238	6.2
643.22565	21.3
661.25165	4.4
661.37854	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	661.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84974	0.8
53.03929	1.0
55.05499	0.9
57.16757	0.8
67.05483	2.7
69.07050	2.0
70.06587	8.0
71.05359	0.9
71.05693	1.6
72.08162	1.0
79.05477	2.7
80.04981	1.2
81.07050	2.4
82.06551	1.2
82.31192	0.8
84.08114	1.3
86.09694	4.1
91.05462	2.0
93.05766	0.9
93.07040	5.3
94.06564	7.3
95.05000	1.4
95.07322	5.0
95.08597	2.1
96.04436	1.1
96.08122	9.8
103.05468	0.9
105.07027	1.2
106.06545	3.7
107.07353	1.5
108.08109	14.0
109.08879	1.1
110.09666	12.5
117.03329	0.8
118.06499	1.9
120.04474	1.4
120.08081	14.4
122.06013	6.4
122.09628	1.2
124.07582	8.9
127.03931	1.4
132.08072	1.5
134.05975	7.0
136.07567	18.0
138.09123	95.8
144.04491	1.3
146.05995	13.3
146.09583	1.1
148.07549	12.3
150.05495	1.0
150.09131	5.0
152.07047	28.8
158.06004	1.3
160.07565	1.0
161.07056	1.0
162.05501	2.5
164.07051	16.2
166.08607	8.6
172.03917	9.1
172.07600	0.8
174.05566	1.4
174.09134	1.8
175.06265	1.0
176.07025	6.6
182.08142	3.8
190.04958	8.1
192.06511	1.3
194.08159	2.1
197.10754	1.7
199.12366	1.1
204.06540	13.8
204.08257	1.5
206.08032	1.0
209.10803	1.9
210.11485	28.9
211.08755	1.1
211.12288	6.0
212.09477	1.5
213.10225	2.6
218.08058	4.4
220.17041	2.2
221.10728	2.8
221.17305	1.7
222.09267	0.9
222.11476	2.1
222.18611	1.4
223.12221	5.3
224.09340	1.9
224.13011	1.7
225.10167	7.1
225.13817	1.9
226.10965	3.4
227.11717	4.9
229.13362	1.1
230.21478	0.9
233.10640	1.3
235.08588	1.0
235.12315	3.5
236.09421	1.8
236.13124	1.6
237.10201	15.1
237.13901	3.0
238.08603	0.8
238.10976	16.9
238.13202	1.6
238.18037	6.6
239.08102	1.9
239.11742	12.8
239.18500	4.1
240.19551	6.2
241.09680	2.4
241.13307	1.8
241.19974	2.4
243.14893	1.0
248.09441	2.8
249.10132	6.6
250.08603	1.0
250.10928	6.4
251.08113	1.2
251.09149	1.4
251.11751	15.0
252.08969	1.2
252.12521	4.9
253.09682	3.0
253.13278	6.4
255.11281	3.1
257.12830	1.6
261.10321	1.3
262.11060	5.0
263.09070	1.2
263.11758	14.0
264.08813	3.2
264.12521	2.6
265.09872	8.3
265.13181	8.9
266.10507	3.4
266.13565	0.9
267.11246	11.2
268.12009	2.9
269.12820	24.0
269.15588	1.7
271.10815	4.4
271.14255	4.9
275.11957	1.1
276.12543	1.1
277.09778	2.6
277.13327	2.8
278.10364	5.8
279.11246	56.5
280.11966	3.8
281.12796	6.6
282.10300	1.8
282.13623	7.7
283.10770	5.3
283.14090	1.5
284.11462	11.0
285.09283	0.8
285.12320	15.3
286.13263	1.2
289.15601	1.4
291.11203	4.4
292.12036	1.4
293.09198	6.8
293.12839	7.9
294.09811	0.9
294.13611	2.0
295.10727	4.2
295.14038	1.9
296.11438	6.4
297.12296	100.0
298.12933	3.9
299.13879	3.9
307.10818	1.4
309.12274	31.6
310.13098	12.0
311.10199	5.9
311.13855	3.9
312.11041	2.0
313.11780	2.4
315.13422	2.5
316.14331	1.2
319.10843	2.9
320.11398	1.0
321.12317	20.6
322.13013	1.6
323.10257	7.9
323.13715	1.5
324.10791	1.0
325.11780	10.7
327.13379	5.5
328.14316	1.4
329.14966	2.4
330.15906	1.2
331.16479	1.0
337.11768	19.3
338.12552	10.7
339.13354	22.8
342.15915	2.0
344.14035	1.4
355.12759	1.5
357.14386	7.1
358.15417	2.2
359.16089	1.2
360.16949	2.3
362.18506	1.5
369.14417	43.0
370.15286	6.1
371.16016	24.0
372.20596	3.7
373.13889	1.8
374.14734	1.4
374.18835	1.5
376.16290	1.8
376.20486	1.2
388.16507	3.1
390.17877	1.8
392.19736	2.1
400.16336	4.6
402.18118	1.5
404.19669	3.7
406.17511	1.9
408.19595	2.0
413.17545	1.3
414.18063	1.8
416.19904	7.2
418.17209	4.5
421.19901	12.8
422.20697	14.2
424.16562	1.4
430.17651	11.0
431.18024	1.1
432.19122	3.4
442.17673	6.7
444.19284	2.3
446.20673	8.3
447.17697	2.9
448.18637	53.9
449.19467	6.7
450.20270	7.2
460.18619	91.0
461.18845	1.1
462.20251	6.5
463.21045	5.7
464.21680	3.9
465.18872	3.7
466.19617	3.9
472.18475	4.9
474.16541	2.8
477.36945	3.8
478.19635	1.9
478.37122	9.4
479.37482	6.1
480.21301	12.5
488.18054	1.6
490.19522	2.4
492.21243	71.8
494.23560	4.6
495.23547	10.2
507.19818	1.4
508.20700	1.2
527.34845	1.6
538.21399	2.0
539.22107	1.8
567.26001	16.4
585.27051	31.6
593.24042	1.5
611.24994	10.1
617.30243	4.8
629.26086	7.6
643.26947	2.5
661.26837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78796	1.4
55.05501	2.4
57.07065	45.1
59.04992	20.6
69.07030	2.0
69.46446	12.3
71.08619	78.3
72.08942	1.4
73.06533	3.4
81.07070	1.4
82.06563	2.2
83.08599	2.2
83.48340	1.2
85.09654	2.3
85.10172	45.1
87.04452	15.8
89.06015	100.0
95.08578	1.6
97.10188	1.3
103.07557	5.4
105.14629	1.4
107.07043	3.8
107.08601	1.7
117.09082	3.9
127.14826	5.7
130.08623	5.2
131.07036	6.4
133.08586	85.0
146.08109	10.0
161.11778	1.5
175.09596	4.9
177.11198	36.0
185.19069	7.5
221.13832	6.1
224.83719	1.4
229.21547	7.7
238.17880	2.9
239.14841	2.7
240.19383	1.6
266.76126	1.6
283.17484	1.9
327.19974	2.9
353.21521	2.1
371.22687	3.6
415.25113	2.9
441.26523	2.6
459.27960	15.8
499.30911	3.0
643.45764	4.1
660.49420	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	661.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06901	0.7
63.25083	0.7
64.92120	0.8
69.03397	1.5
69.50874	3.9
69.51300	2.6
74.47584	0.7
80.36951	0.9
81.03407	1.5
82.99828	1.0
83.80474	0.8
86.79448	0.9
89.03900	1.4
94.99858	1.0
97.02857	3.0
98.20773	1.6
101.00858	9.6
101.77615	0.8
109.02851	3.3
113.00851	2.6
117.03292	1.2
119.01897	29.5
127.02412	2.0
131.01884	16.4
133.03406	1.0
135.04401	5.1
137.02930	4.6
139.02415	0.8
143.01869	23.0
143.02896	1.0
145.02579	1.8
145.03613	11.9
147.01361	1.2
147.04890	0.8
149.02959	4.4
154.94318	0.9
155.01851	30.2
157.03423	8.5
161.02931	32.0
163.03864	96.4
167.01857	7.4
169.03432	2.9
171.04967	2.5
173.02933	86.2
174.03156	1.6
175.04480	2.7
179.01860	3.4
181.03409	1.2
184.15205	0.9
185.01122	2.1
185.02917	48.7
187.04495	6.6
191.03946	3.5
193.03496	1.6
195.05080	2.2
196.04504	2.0
197.02911	17.3
197.04749	1.0
199.04491	2.2
203.01930	3.0
203.03929	17.6
205.03459	0.9
208.04446	1.5
209.02943	4.2
211.04457	1.0
215.03949	17.1
217.01874	3.5
221.02916	95.0
221.04843	4.3
222.03180	2.0
227.03920	11.5
229.05527	1.1
239.03952	25.6
244.04547	2.7
245.02853	9.9
245.05037	75.9
246.05296	1.2
247.04501	7.3
247.06633	1.7
252.51335	0.8
255.03362	1.2
257.03027	1.3
257.05023	23.8
263.03854	43.5
263.06152	6.9
264.04099	1.7
265.05472	2.0
271.04489	1.2
273.04474	9.0
275.03824	9.9
275.06094	18.3
276.06570	0.9
277.05536	1.1
281.05014	100.0
282.05240	2.2
283.06659	1.1
286.05295	1.3
287.03897	1.0
289.05304	1.8
291.05603	5.3
293.04550	7.1
293.07663	1.9
295.06509	2.3
298.05432	1.1
299.06149	25.2
301.04010	2.6
304.06656	2.7
305.03998	1.3
305.07520	8.8
307.06506	2.1
308.61075	1.1
309.07944	1.4
311.06076	16.4
317.04803	5.3
319.02957	7.7
323.02298	1.2
323.06052	24.0
335.05408	5.6
335.08911	1.2
337.03659	1.3
341.07199	3.4
347.06195	3.2
351.05576	1.3
353.07156	4.0
361.04010	1.1
365.06851	49.2
366.07254	1.5
379.05011	21.1
380.05270	1.2
383.08148	60.9
384.08475	2.0
391.04794	4.0
397.06042	11.6
401.09103	1.4
409.06067	7.8
421.05963	3.1
435.09589	1.3
439.06961	11.9
451.07184	0.9
455.09854	1.0
463.07294	1.2
481.08255	10.7
499.09280	25.4
545.13416	18.8
643.13220	1.0
661.14380	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	660.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.01857	2.1
55.05500	12.8
56.05043	0.9
57.03433	2.2
57.07065	12.8
59.04991	4.1
64.82970	0.6
65.03925	1.4
67.05491	6.5
69.03423	6.6
69.07056	100.0
70.06579	27.6
70.07390	1.1
71.04979	2.9
71.06902	1.0
71.08619	0.8
72.08141	4.2
73.02888	0.7
79.05480	2.3
81.03392	6.2
81.07043	7.6
83.08604	38.2
84.04492	2.2
84.08147	5.1
85.02893	12.9
85.06537	1.1
86.09688	13.6
86.10165	1.2
87.00816	5.0
87.04465	1.5
87.10005	0.9
88.03971	1.2
89.06014	31.9
91.05472	2.8
93.07034	2.7
94.06552	1.8
95.04973	2.1
95.08593	8.5
96.08104	1.4
97.02875	4.6
97.06569	1.1
97.10146	1.1
98.06001	0.9
99.03902	0.6
99.04417	3.7
99.08088	2.0
102.05515	1.0
103.07571	0.7
104.04934	0.9
105.01835	3.5
105.07025	1.9
107.07047	1.6
107.08612	1.2
107.46256	0.7
108.04470	1.6
108.08099	3.3
109.02251	0.8
109.02863	5.0
109.10143	5.6
110.07150	1.7
112.08672	1.0
113.09634	0.7
118.06490	0.7
119.04929	1.0
119.08530	1.9
120.08086	8.5
121.06541	0.8
121.10114	1.7
122.05988	1.4
122.09664	1.4
123.08086	0.7
123.11675	2.7
125.13265	9.7
127.03895	7.3
129.01802	1.0
129.10223	1.7
129.44562	0.7
130.04997	1.1
130.06573	0.8
131.07027	1.7
131.08557	0.7
133.08582	11.0
133.10101	0.9
134.06020	5.0
135.06337	0.9
135.07997	0.7
135.11688	0.8
136.07550	6.2
137.05972	0.9
137.07928	1.2
138.05467	2.4
138.09120	6.0
143.08546	0.8
143.14313	2.3
145.04964	2.2
145.10112	1.4
146.05956	1.7
149.11653	0.8
151.09679	1.5
152.07043	3.3
154.58859	0.8
155.08199	1.1
155.14267	1.0
157.13412	0.7
159.02882	2.7
159.09161	1.2
159.11729	0.8
162.05513	0.8
163.11166	0.7
164.07068	2.9
165.09009	0.9
165.16408	2.6
166.04985	1.7
166.08618	0.8
167.07072	0.8
169.13318	0.7
172.03909	1.3
177.11198	20.6
177.12659	1.5
178.04967	5.3
179.05298	2.0
180.06631	1.0
181.07043	0.7
182.08186	0.9
183.14915	4.1
183.17471	2.3
185.12970	0.9
187.15009	0.6
190.95218	0.9
195.12274	18.1
201.18498	1.3
204.06493	1.2
209.10773	1.1
210.11432	2.4
211.08665	1.0
211.12093	0.9
211.14384	2.3
212.09029	0.8
212.10857	0.8
213.10191	0.9
220.16985	2.4
221.17371	1.1
222.18460	1.7
225.10233	2.3
226.10719	1.1
227.08131	1.2
227.11786	1.5
227.20103	1.4
229.09824	0.8
229.13503	0.9
230.11925	0.9
235.15364	7.6
237.10069	1.0
237.13496	1.1
238.10907	1.5
238.17978	7.2
238.68387	0.9
239.11757	2.0
239.18509	4.0
240.12283	1.0
240.19594	7.7
241.09486	0.8
241.13318	1.0
241.19855	2.4
243.11160	1.5
250.10988	0.8
251.11729	1.3
253.09822	2.0
253.13599	1.3
253.16368	5.3
254.10008	1.1
255.11317	1.3
257.12811	2.6
258.13202	1.0
259.14450	0.8
263.11838	1.1
265.09863	1.0
265.56525	0.8
267.11255	2.1
269.12820	2.5
269.19370	0.7
270.13165	0.8
271.10641	3.1
272.11316	4.2
272.14316	0.9
273.11938	2.0
279.11270	2.9
283.10703	1.3
284.11285	1.4
285.12305	6.3
286.12607	2.1
287.13666	0.8
297.12262	5.5
298.12595	1.0
299.13815	1.1
301.11838	4.4
302.12164	4.3
303.13321	2.3
304.13776	1.7
309.12369	1.2
310.21118	1.1
311.10382	1.0
313.11676	2.8
314.12396	1.1
316.14078	0.7
321.12177	1.4
327.09698	1.2
328.09613	1.0
337.07999	0.9
337.11707	0.8
338.12595	0.9
339.13373	1.1
355.09283	1.4
356.09619	1.9
369.14395	1.7
373.13852	3.3
377.28915	84.8
378.29193	2.1
387.11719	0.9
388.12192	2.3
395.29984	29.1
396.30304	0.8
401.09927	0.9
402.09814	1.2
409.22980	0.7
430.17535	0.9
448.18484	2.4
460.18698	4.2
477.36801	4.0
478.37152	10.3
480.21368	1.0
492.21375	3.5
512.73914	0.7
530.25049	0.9
568.85248	3.0
570.24323	3.2
571.25049	0.9
572.25763	7.4
584.25623	0.8
585.26770	1.7
593.22424	0.8
593.51227	0.8
598.23480	6.1
616.24579	3.7
628.24329	2.8
629.24750	1.3
642.22418	3.1
643.23779	1.2
660.23895	2.2
660.42480	2.1
661.27417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
55.05500	2.1
56.05029	0.9
56.05235	0.2
57.03403	0.3
57.07040	0.2
58.06585	1.2
59.04975	0.2
59.06897	0.2
65.03902	0.7
67.05497	2.9
68.04977	0.6
69.03385	0.8
69.07056	2.6
69.45581	2.1
70.06581	11.6
71.04952	0.6
71.06891	0.2
72.08144	2.2
74.06054	0.5
77.03889	0.3
79.05476	2.5
80.04976	0.8
81.03380	0.2
81.05739	0.3
81.07040	4.7
82.06561	1.3
82.47337	0.2
82.49120	0.2
83.04930	0.6
83.06072	0.2
83.08575	0.9
84.04501	1.1
84.08134	2.4
85.02864	0.8
85.06493	0.5
86.09690	3.3
87.00785	0.2
87.05560	0.4
89.80566	0.2
91.05462	1.8
92.04966	0.6
93.05763	0.3
93.07030	3.1
94.05990	0.3
94.06550	4.0
95.04951	0.9
95.07305	0.6
95.08038	0.2
95.08596	4.0
96.07539	0.3
96.08120	5.2
97.02835	0.3
97.06491	0.7
97.10132	0.6
98.06017	0.3
98.09682	0.9
98.21539	0.4
99.04391	0.3
99.08047	0.2
101.07073	0.2
103.05428	0.4
104.04926	0.2
105.04488	0.2
105.07031	1.7
106.06516	0.7
107.04913	0.8
107.07334	1.1
107.08568	1.9
108.04466	1.5
108.07407	0.4
108.08102	6.0
109.02802	0.5
109.06480	0.7
109.08898	0.4
109.10114	1.2
110.06008	0.4
110.07154	1.7
110.09669	3.7
111.08062	0.2
112.08691	0.2
115.08667	0.4
116.04926	0.5
117.06993	0.5
118.06519	0.4
119.08563	1.3
120.04416	0.8
120.08087	5.4
121.06505	0.5
121.10131	1.1
122.06030	1.7
122.09642	2.5
123.04372	0.5
123.08024	0.5
123.10446	0.2
123.11625	0.3
124.07577	2.0
124.11203	0.9
127.03873	0.4
129.06923	0.3
129.10205	0.8
130.06471	0.4
131.08534	0.6
133.06116	0.5
133.10081	0.7
134.04457	0.2
134.05992	3.9
134.09598	0.6
135.07976	0.3
135.11670	0.4
136.07561	3.6
136.11133	0.5
137.05942	0.4
138.05457	1.7
138.09113	3.9
141.10159	0.2
143.08507	0.3
143.11734	0.2
144.04446	1.2
144.07999	0.3
145.04877	0.3
145.08989	0.2
145.10072	0.9
146.05048	0.2
146.06006	2.0
146.09596	0.2
147.04338	0.3
147.11655	0.5
148.07520	0.8
149.09531	0.3
150.05431	0.3
152.03400	0.2
152.07060	0.9
154.08562	0.2
155.14238	0.4
157.10052	0.5
159.09169	0.3
159.11562	0.2
160.03929	0.8
160.07533	0.3
161.09572	0.3
161.13184	0.2
162.05484	1.2
163.11168	0.4
164.07033	0.9
166.04932	1.2
166.08604	2.9
170.11752	0.3
171.11476	0.2
172.03911	5.5
172.11101	0.3
173.13029	0.3
174.05472	0.5
175.14842	0.3
176.07034	1.0
176.14302	0.4
177.05307	0.2
177.12720	0.2
178.04970	4.6
179.05263	0.3
180.06509	0.5
182.08261	0.3
183.09128	0.5
183.14934	0.2
184.09865	0.4
184.11307	0.3
185.10727	0.7
185.13203	0.2
186.09225	0.2
189.12642	0.3
190.04965	4.4
190.16002	0.2
192.06570	0.2
192.13849	0.4
192.17442	0.8
194.19040	0.3
195.09206	0.4
195.11636	0.2
196.09816	0.3
197.10706	0.5
198.09222	0.4
199.08650	0.9
199.12381	0.3
199.14685	0.2
200.09312	0.4
201.10298	0.4
201.12192	0.3
202.15874	0.7
204.06529	8.1
205.06844	0.6
207.09143	0.4
208.06015	0.4
208.09776	0.3
209.10725	0.6
210.11482	1.7
211.08559	0.9
211.12270	0.6
211.14336	0.4
212.09114	0.3
212.10962	0.4
213.10231	1.9
213.13863	0.3
214.10789	1.9
215.11746	0.7
218.15370	0.7
220.16933	18.4
221.17279	0.9
221.19870	0.2
222.18500	10.7
223.08575	0.5
223.12201	0.3
223.18816	0.7
224.09323	0.6
225.10231	1.5
226.08585	0.6
226.11006	0.6
227.08160	0.6
227.11815	1.4
228.08762	0.3
228.12387	0.3
229.09691	0.5
229.13409	1.8
230.11783	0.5
231.14900	0.2
236.09198	0.4
236.16438	0.6
237.10132	0.8
238.10988	0.7
238.17979	47.4
238.68196	0.2
239.08087	1.1
239.11784	1.1
239.18425	2.4
239.69043	0.3
240.19547	37.0
241.09598	1.2
241.13297	0.3
241.19879	1.9
242.10135	0.4
242.11682	0.2
243.11244	3.4
244.11684	0.2
245.12885	0.8
249.10234	0.5
249.14996	0.2
250.07124	0.4
251.08112	0.8
251.11746	0.6
252.08862	0.4
252.12416	0.2
253.09622	1.7
253.13976	0.3
254.10037	0.4
255.11290	1.4
256.11942	0.4
256.19101	2.1
257.08990	0.4
257.09674	0.4
257.12811	5.9
258.13278	0.3
258.20584	0.2
263.08170	0.5
263.11606	0.4
264.08847	0.7
265.09689	1.0
266.10498	0.2
267.11279	1.3
269.09485	0.9
269.12775	1.5
270.10013	0.4
271.10742	3.1
272.11469	2.7
273.12253	1.9
277.09888	0.5
278.10294	0.3
279.11270	0.8
281.09335	0.2
283.10727	1.5
284.11362	0.4
285.12299	7.9
286.12689	0.8
287.10239	2.2
287.13580	0.4
291.07474	0.2
293.09116	0.4
294.09692	0.2
295.07214	0.2
295.10498	0.4
297.08969	0.4
297.12225	2.5
298.09418	0.2
299.10211	0.6
299.13940	1.0
300.14941	0.3
301.11795	4.2
302.12433	1.0
303.13361	8.2
304.13910	0.7
306.09641	0.3
307.10522	0.2
311.10172	0.5
311.13647	0.2
313.11765	1.8
314.12885	0.2
315.09784	0.4
315.13422	0.2
316.10840	0.5
316.14359	0.3
323.06796	0.4
323.10284	1.1
323.13492	0.2
325.11786	4.9
325.15091	0.2
325.18689	0.2
326.12408	0.7
327.13419	0.7
329.11292	0.7
329.14941	0.4
330.12222	0.6
331.13031	0.5
337.08127	0.8
337.11673	0.2
339.13324	0.3
342.12399	0.4
342.16235	0.2
343.12888	1.7
343.16431	0.2
344.13809	0.9
345.14676	0.4
346.15488	0.6
347.16547	0.3
355.09119	1.4
355.13043	0.3
356.13922	0.2
357.10764	0.4
357.14502	1.9
358.11502	0.3
358.15402	1.3
359.16531	0.3
363.16324	0.2
364.16476	0.2
369.14581	0.3
370.11771	0.4
371.12476	0.7
372.13373	0.9
373.14102	0.7
374.14774	0.5
374.19031	0.2
376.16342	0.4
377.28885	0.6
383.08652	1.1
384.08670	0.3
384.13226	0.3
385.14252	1.0
386.14944	2.2
387.15881	1.1
390.18210	0.3
392.15808	0.4
394.17532	0.3
398.14886	0.4
399.15646	0.5
400.16922	0.5
401.09537	1.1
402.14328	0.4
404.15656	1.0
405.16211	0.2
406.17526	0.8
409.30585	0.2
414.14337	1.9
415.15201	4.5
416.15683	1.1
418.17374	0.6
420.15079	0.5
420.19867	0.4
428.16104	0.3
430.17493	0.6
432.15430	2.8
433.15820	0.3
438.21014	0.9
444.15613	0.3
446.16980	0.9
447.17542	0.3
456.15662	0.7
458.17307	1.0
459.35974	0.8
462.16516	2.2
463.16840	0.3
464.18631	0.3
474.16568	6.8
475.16681	1.0
475.35706	0.3
476.17841	0.3
476.35709	0.5
477.36816	100.0
478.37076	6.4
488.18234	0.2
490.19952	1.0
506.19189	1.8
509.22137	0.3
511.23404	0.3
519.37744	0.3
529.24359	0.6
537.38751	0.6
568.22839	0.2
569.23859	1.3
570.24048	0.4
571.25464	3.9
572.25879	1.0
579.22192	0.6
579.41510	0.4
581.23895	0.3
582.23834	0.2
583.25458	0.7
585.23578	0.8
586.24078	0.2
591.21814	0.3
597.23413	3.0
597.42072	1.7
598.23700	0.5
599.25049	1.5
600.25751	0.3
609.23248	1.8
610.23474	0.4
615.24573	2.3
615.42328	1.0
616.24457	0.4
627.24414	18.1
628.24707	4.4
631.27539	0.5
641.22736	1.3
642.22791	0.2
659.26318	1.2
659.32922	0.2
659.41266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.01857	3.8
55.05510	18.9
57.03432	19.9
61.02919	77.9
67.05495	41.9
69.03423	38.0
69.07046	10.1
71.01345	4.9
71.04973	7.7
71.71191	5.3
73.02910	27.4
79.05480	34.6
81.03400	21.4
81.07048	36.8
82.06554	11.5
83.04967	6.6
83.08591	7.5
85.02892	100.0
87.04452	3.0
91.03947	52.5
91.05470	14.1
93.07024	30.6
95.08599	33.9
97.02885	77.2
99.04433	14.1
100.07626	7.6
101.02373	7.4
103.03917	10.1
105.07021	15.8
107.04944	3.5
107.08584	17.2
109.02847	14.8
109.10134	19.3
110.42583	2.6
115.03922	6.8
117.05449	4.9
117.06995	9.1
119.08568	13.6
121.10154	15.1
123.11687	5.9
127.03897	36.6
128.07072	6.2
129.05478	6.1
131.08536	12.9
133.10132	6.9
135.08028	3.1
135.11646	14.1
145.04935	22.4
145.10054	8.6
146.08095	55.5
147.11649	8.1
149.13229	6.7
158.26306	3.5
159.06471	4.7
159.11693	11.3
161.13208	5.7
163.05920	4.9
163.14778	5.1
171.11632	4.5
173.13200	7.7
175.14830	4.0
176.11040	2.5
183.06482	12.4
187.14877	4.1
201.07542	6.3
221.65421	2.8
243.21097	7.1
255.26288	2.9
259.20538	3.9
261.22092	27.1
283.16794	2.8
303.23151	4.3
335.25757	85.3
351.23016	3.7
363.25150	6.9
369.24149	4.4
376.76724	2.7
377.26959	4.3
379.76486	3.1
443.27875	4.2
449.64514	4.0
461.28711	4.7
479.29956	11.7
497.31070	6.8
632.23651	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	659.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57210	0.2
55.01856	0.2
55.05496	1.6
56.05004	0.2
57.03411	0.2
58.06594	1.0
59.04980	0.3
59.86158	0.1
67.05500	2.1
68.04998	0.2
68.99698	0.2
69.03407	0.3
69.07059	1.9
70.06580	6.1
71.04953	0.3
71.15608	0.2
72.08126	0.5
75.34388	0.2
75.55529	0.2
79.05476	1.9
80.04993	0.2
81.03410	0.2
81.07049	3.1
82.06567	0.9
83.08580	0.7
84.04472	0.4
84.08106	0.7
85.02886	0.3
85.06525	0.2
86.09707	0.9
91.05444	1.0
93.07028	1.7
94.06549	1.5
95.04945	0.6
95.08592	3.0
96.08119	2.6
97.06488	0.3
97.10123	0.7
98.09654	0.7
105.07030	0.9
106.06541	0.2
107.04926	1.3
107.07300	0.6
107.08571	1.4
108.07427	0.3
108.08104	3.0
109.06466	0.3
109.08841	0.5
109.10123	0.7
110.07106	0.2
110.09637	1.0
117.06960	0.2
119.08570	0.9
120.08071	1.1
121.06441	0.3
121.10107	0.8
122.05935	0.2
122.09642	1.5
123.04359	0.2
123.10434	0.3
124.11166	0.8
131.08496	0.4
132.08142	0.2
133.10075	0.5
134.06010	0.2
134.09534	0.2
135.11662	0.4
136.07530	0.6
136.11188	0.4
143.08556	0.3
145.10086	0.5
147.11554	0.3
149.09583	0.2
159.07990	0.3
163.11157	0.3
167.08487	0.2
170.11760	0.3
171.07877	0.2
176.14311	0.2
178.04964	0.2
192.13776	0.2
192.17410	0.5
202.15884	0.8
210.38989	0.2
214.10960	0.3
218.15346	0.6
220.16934	16.1
221.17271	0.5
221.20000	0.2
222.18503	9.7
223.18816	0.2
227.11845	0.2
229.13329	0.5
236.16501	0.4
238.17982	39.2
239.18324	1.2
239.20715	0.3
240.19551	36.5
241.19855	0.8
244.62862	0.2
256.19086	1.7
257.12830	1.3
258.20721	0.6
271.10815	0.4
285.12323	0.4
301.11612	0.3
303.13394	0.4
436.68326	0.2
459.35797	0.3
477.36813	100.0
478.37131	4.7
519.37970	0.8
537.38879	0.7
579.41785	0.9
597.22620	0.3
597.42639	0.9
599.24017	0.3
627.23975	0.4
631.27185	0.2
659.26465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01855	4.1
55.05508	8.0
57.03196	1.2
57.03429	16.8
57.07057	1.9
61.02920	72.7
64.86275	1.1
65.03899	1.2
67.05496	34.2
67.78656	1.4
69.03420	31.3
69.07048	10.8
70.06570	1.3
70.12238	5.4
71.01340	2.0
71.04966	3.7
73.02905	26.1
74.17250	1.2
78.98997	1.3
79.05064	1.6
79.05488	21.3
81.03402	20.6
81.07042	36.0
82.06557	3.6
83.04975	2.9
83.08597	3.1
85.02895	100.0
87.04469	2.2
88.07600	2.0
91.03943	58.5
91.05467	13.0
93.07025	26.4
95.04944	4.3
95.08595	29.1
95.44873	1.2
97.02879	75.4
97.06499	1.7
97.10151	2.8
99.04439	12.7
99.08056	1.7
100.07586	3.0
101.02371	7.9
103.03926	7.6
105.07023	10.5
107.04939	1.4
107.08568	14.6
109.02853	11.3
109.06494	2.7
109.10148	15.0
111.04430	2.1
115.03911	5.5
117.05470	1.9
117.06982	5.0
119.08544	9.1
121.06490	1.3
121.10133	14.4
123.08108	1.8
123.11710	7.6
127.03899	33.9
127.90952	1.2
128.07066	2.1
129.05455	5.5
131.08551	8.0
131.18550	1.2
133.10114	9.3
135.11697	9.6
137.05948	1.3
143.08537	1.7
145.04936	29.0
145.10104	6.7
146.08112	15.5
147.11690	6.5
149.13217	5.5
157.10097	1.6
159.11665	6.1
161.13234	4.7
163.06026	12.8
163.14772	2.8
169.10199	1.5
171.06491	1.5
171.11568	2.7
173.13197	7.9
175.14742	2.9
177.12712	2.2
183.06493	6.8
185.13284	1.6
187.14778	2.0
189.12668	1.6
197.13354	1.7
201.07611	3.5
224.44858	1.6
241.19629	1.6
243.21039	5.3
259.20599	2.1
261.22107	16.3
273.22186	1.3
303.23242	2.2
315.23282	2.0
317.24734	2.3
327.23038	2.9
335.25772	73.7
351.22839	1.6
363.25076	2.9
369.24246	4.0
377.26788	2.1
393.37100	1.4
405.26312	2.7
443.27814	4.8
458.42416	1.5
461.28757	4.8
477.37225	1.6
479.30170	10.2
497.30630	1.9
581.20007	1.6
659.36542	8.9
665.01697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43093	0.3
55.01859	0.3
55.05500	1.5
56.05004	0.4
56.35213	0.2
57.07050	0.7
59.04971	0.4
66.12228	0.3
67.05467	0.6
69.03405	0.5
69.07057	1.6
69.36364	3.2
70.06572	2.3
70.07365	0.4
71.08598	0.4
72.08109	0.6
79.05465	0.7
81.03387	0.3
81.07004	0.9
83.08617	2.0
84.08093	1.1
84.08879	0.3
85.02853	0.8
86.09651	1.1
87.00793	0.3
87.04386	0.3
91.05428	0.5
93.06995	0.7
94.06537	0.9
95.08546	1.2
97.02809	0.3
97.09650	0.2
97.10169	2.4
98.10487	0.4
99.08047	0.3
103.03896	0.8
105.01833	0.4
105.06991	0.6
107.08559	0.7
108.04453	0.4
108.08045	0.8
109.02776	0.4
109.10117	0.8
110.07063	0.4
110.10396	0.3
111.11652	0.5
119.08543	0.6
120.08103	1.5
121.06398	0.3
121.10081	0.5
122.09624	0.3
122.85702	0.2
123.08025	0.4
123.11639	0.5
124.07508	0.4
127.03851	0.6
131.04865	0.3
133.10051	0.4
136.03899	0.4
136.07568	2.5
138.05513	1.4
138.09097	0.5
139.05838	0.3
145.10106	0.3
146.06006	0.5
146.42531	0.3
147.11555	0.5
148.07556	0.9
152.07053	0.5
159.09103	0.3
161.13202	0.6
162.05482	0.3
163.11177	0.3
164.07086	1.6
165.09111	0.4
166.04955	0.3
166.08585	0.3
174.09056	0.4
178.04921	0.7
180.06435	0.4
183.08923	0.4
185.10677	0.4
187.08595	0.5
188.03387	0.8
189.03661	0.4
197.10657	0.8
199.08536	1.1
199.12154	0.3
201.10237	0.3
206.04524	0.7
206.08115	0.4
211.08554	0.8
212.09360	2.1
213.10162	3.8
220.16908	0.5
221.10597	0.3
223.08629	0.4
225.10208	4.6
226.07390	0.5
226.10909	1.0
227.08125	10.4
227.11740	0.9
228.08743	0.9
229.09735	0.7
233.83186	0.3
237.10135	0.7
238.07368	0.8
238.10699	0.7
238.18082	1.0
239.08075	2.4
239.11705	1.2
239.18436	0.4
240.08890	15.8
240.19579	1.0
241.09673	30.8
241.13531	1.0
242.10034	0.8
243.11157	0.5
244.12198	0.3
249.09935	0.4
251.08110	1.0
252.08679	0.7
253.05844	0.5
253.09698	13.8
254.10416	3.7
255.07634	0.6
255.11168	1.5
255.14967	0.6
257.09229	1.7
257.12949	0.4
259.14386	0.6
265.09628	0.5
266.10376	1.0
267.07724	1.8
267.11169	2.5
268.08304	0.5
268.11420	0.6
269.09067	1.0
269.12775	0.7
271.10718	3.6
271.14288	0.9
272.11505	1.5
273.12073	0.3
277.09561	0.5
279.07675	0.6
281.09167	20.2
281.12619	1.0
282.09930	5.8
283.10892	0.7
284.11237	0.6
285.08646	1.8
285.12213	2.2
286.12314	0.4
287.10184	0.5
293.09274	0.7
294.06497	0.4
294.09875	1.0
295.07047	0.5
295.10406	2.7
296.10623	1.3
297.08463	0.4
297.11786	0.4
299.10220	65.7
300.10944	18.5
301.11700	1.9
303.13593	0.4
307.06946	0.9
308.07343	1.1
309.08029	0.7
311.10220	0.7
313.11761	21.7
314.12506	0.5
323.10141	0.6
325.07980	0.4
327.09723	0.5
327.13348	0.6
329.11499	0.4
339.09708	4.3
340.10025	6.7
341.10345	4.8
345.14496	1.5
355.13040	1.0
367.09152	0.5
368.09494	1.2
369.09991	1.7
373.13889	100.0
374.14285	2.9
375.27853	1.0
376.27798	1.4
385.10211	2.6
386.10498	3.0
387.10855	3.7
393.28998	0.6
394.28510	0.6
401.13370	34.2
402.13614	1.3
408.15540	0.5
477.36765	1.3
494.18793	0.7
496.20883	1.0
583.25439	0.7
599.25116	2.3
609.23444	1.4
615.28448	0.6
626.23328	0.4
627.23676	10.0
641.25793	1.6
645.24744	0.4
659.26917	33.4
660.27344	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48466	0.1
55.05473	0.5
62.49360	0.2
65.41405	0.1
67.05472	0.3
69.03392	0.4
69.07064	1.1
70.06210	0.2
70.06580	3.0
70.30423	0.2
70.95831	0.5
72.08116	0.5
79.05495	0.4
81.03397	0.2
81.07019	0.6
82.06535	0.2
83.08602	0.9
84.04435	0.2
84.08102	0.7
85.02859	0.3
86.09696	1.6
87.04449	0.2
89.06018	1.0
91.05441	0.4
93.07012	0.4
94.06541	0.4
95.08566	0.8
96.08084	0.4
96.44112	0.2
97.02852	0.3
97.06510	0.2
97.10144	0.4
105.07006	0.3
107.08549	0.3
108.08081	0.6
109.02848	0.3
109.10098	0.4
110.07079	0.2
110.09682	0.2
110.14112	0.2
120.04480	0.3
120.08091	1.1
121.06425	0.2
121.10114	0.3
122.05975	0.3
122.09653	0.5
123.11622	0.2
127.03829	0.3
129.10217	0.5
130.06465	0.3
131.08498	0.2
132.08011	0.4
133.08569	0.5
133.10077	0.2
134.05981	0.4
135.08130	0.2
136.07536	0.4
137.09593	0.3
138.05443	0.7
138.09108	0.6
144.07938	0.2
145.04999	0.2
145.10103	0.2
146.05991	2.0
147.11644	0.2
150.05473	0.2
157.10001	0.2
158.09561	0.2
159.09125	0.9
160.07558	0.3
160.09477	0.4
161.09680	0.2
162.05519	0.3
162.09135	0.2
164.07008	0.3
165.09100	0.8
166.04936	0.5
166.08607	0.3
172.03853	0.4
174.05424	0.4
174.09137	0.3
178.05002	0.5
182.09648	0.2
182.41048	0.2
184.11302	0.2
186.12535	0.2
190.04868	0.4
195.09122	0.6
196.09917	0.3
197.10675	0.5
198.11531	0.2
199.08629	0.4
200.09387	0.2
201.10127	0.2
204.06508	0.2
206.08296	0.4
207.09129	0.6
208.09908	0.7
209.10707	1.3
210.07808	0.3
210.11464	0.6
211.08691	0.5
211.12300	0.6
212.09261	0.4
213.10135	0.3
213.13794	0.2
214.12430	0.3
219.09105	0.4
220.09854	0.3
220.16931	0.7
221.07074	0.6
221.10780	1.0
221.12793	0.2
222.07867	0.6
222.11328	0.2
222.18439	0.5
223.08678	1.1
223.12277	0.5
224.09320	0.5
225.10176	1.6
225.13727	0.2
226.10820	1.0
227.08115	0.6
227.11798	0.4
228.08771	1.6
229.13272	0.4
230.11751	0.3
232.09569	0.2
233.10638	0.3
234.07744	0.3
235.08601	2.5
236.09393	4.9
237.10165	6.2
238.07329	0.3
238.10915	1.8
238.17992	1.9
239.08124	0.7
239.11681	1.0
239.18510	0.5
240.08798	0.5
240.19466	1.2
241.09517	0.9
241.13397	0.3
242.06584	0.2
243.11185	1.0
248.09361	0.4
249.06584	0.5
249.10181	7.0
250.08574	0.5
250.10927	3.2
251.08089	1.3
251.11726	4.0
252.08954	0.8
253.09628	1.6
253.13162	0.4
254.06801	0.7
254.10471	0.5
254.13387	0.2
255.11279	0.5
257.09009	0.3
257.12823	0.8
261.10284	0.5
263.08139	3.9
264.08893	6.6
265.09705	2.3
266.10461	3.6
267.07645	0.5
267.11240	1.1
268.08575	0.2
269.09332	0.4
269.12778	0.6
270.10056	0.4
270.13275	0.3
271.10999	0.2
271.14276	0.2
272.11508	1.3
277.09689	5.9
278.07336	0.2
278.10440	5.8
279.07971	0.5
279.11227	8.7
280.08450	0.3
280.11832	0.4
281.09158	2.9
281.12753	0.8
282.09845	0.7
283.10690	0.7
285.12222	1.6
289.09579	0.5
290.10425	0.2
291.07510	1.0
292.08368	23.2
293.08865	1.1
293.12234	0.2
294.09961	0.2
295.10587	0.9
296.11252	0.2
297.08929	0.4
297.12329	1.3
298.09406	0.4
299.10223	2.1
299.13510	0.4
300.10992	1.4
301.11804	0.5
303.13434	0.4
305.09152	15.1
306.09625	0.9
307.10715	2.2
309.08685	0.9
309.11981	0.3
310.09412	16.5
311.10016	1.5
311.13724	0.3
313.11844	0.9
323.10193	10.5
324.10675	0.5
325.11761	2.0
327.09561	0.3
333.08789	1.6
337.08017	0.2
337.11810	0.5
338.12500	1.7
339.09726	0.7
339.13406	0.8
341.11334	0.6
344.85608	0.2
351.09671	12.3
352.10159	0.3
352.26151	0.2
353.11395	1.1
355.12912	0.9
357.10611	0.5
357.14548	0.7
358.15527	0.3
365.11383	1.2
369.10797	6.2
370.11139	0.3
371.12292	1.5
373.13901	2.5
383.12305	100.0
384.12646	2.8
385.10123	0.2
401.13464	0.6
430.06723	0.2
444.15454	0.2
471.24384	0.2
477.36899	1.7
565.23645	0.2
581.23370	0.5
583.24927	0.3
599.24792	0.4
609.23340	8.8
610.22986	0.2
615.36084	0.4
627.24359	1.5
641.25854	2.6
659.26874	2.8
659.38147	0.4
659.40912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25574	1.8
55.05500	4.0
58.06600	2.1
60.04494	3.3
61.02908	2.0
61.81414	2.0
67.05499	5.3
69.03422	3.4
69.07061	10.1
70.06583	47.4
71.04989	3.4
71.72536	3.3
72.08144	8.7
73.02882	2.4
77.03947	2.3
78.82371	1.9
79.05477	6.6
81.03428	3.8
81.07039	9.4
82.06559	3.0
83.08610	5.0
84.04498	6.0
84.08126	15.1
85.02902	8.2
86.09690	21.2
87.00835	2.3
89.06029	4.7
91.05472	6.3
92.09126	2.2
93.07042	8.4
94.06558	10.7
95.04955	6.8
95.08601	8.0
96.08106	7.9
97.02842	2.7
97.10172	2.7
99.04475	2.5
104.04969	5.7
105.01862	2.8
105.07014	4.3
106.06511	3.1
107.07253	2.2
107.08568	4.9
108.08115	10.9
109.02892	3.7
109.10152	7.2
110.07159	6.4
110.09672	6.3
112.08800	2.6
119.08579	5.6
120.04444	2.4
120.08075	17.9
121.10124	4.4
122.06001	2.2
122.09623	4.3
123.07941	1.9
123.11709	2.5
124.07575	4.6
127.03904	5.2
127.08642	1.8
129.10231	6.8
130.06531	3.9
133.08600	2.3
133.10135	3.5
134.06003	6.7
135.11728	2.8
136.07558	16.8
137.09573	3.0
138.05421	2.4
138.09117	30.3
144.04439	3.8
145.10139	2.3
146.06082	3.8
147.11607	2.6
148.07526	3.4
150.05518	3.9
151.11275	2.2
159.09193	5.3
160.03984	6.7
162.05464	3.2
164.07066	5.7
165.09071	10.6
166.08643	2.8
172.03914	12.3
176.07074	3.2
178.04967	63.5
183.09230	2.6
185.13193	2.1
190.05011	5.8
197.10783	2.5
198.09085	2.9
204.06526	26.3
211.08730	3.8
212.09297	3.0
213.10248	4.9
218.15459	1.9
220.16884	15.8
222.18526	9.1
223.08612	2.7
225.10103	13.1
226.11006	2.4
227.11726	6.7
237.10219	7.0
238.17961	45.5
238.20129	3.5
238.68187	11.0
239.08063	3.1
239.11687	10.8
239.18617	15.3
239.68919	3.9
240.19576	32.9
241.09772	3.7
241.13420	4.5
241.19872	4.1
245.12938	2.5
249.10307	4.4
251.08247	2.7
251.11766	5.2
251.14761	2.8
253.09743	8.6
255.11211	5.3
257.12891	5.3
263.08426	2.2
263.14066	2.4
264.08954	3.4
265.09695	5.1
267.11221	8.3
269.09283	3.0
269.12781	10.4
271.10693	8.8
271.14014	2.2
277.09598	2.3
279.11157	3.1
281.09384	3.9
281.12811	5.3
283.10721	7.9
284.11417	5.2
285.12274	31.3
287.13925	6.7
295.10809	7.6
297.12250	17.3
299.10236	8.5
299.13867	8.2
300.15051	2.6
301.11899	4.7
303.13483	3.1
311.06787	2.7
311.10208	3.6
312.14774	4.3
313.11661	12.4
314.12680	3.2
321.08554	3.1
323.10175	6.9
325.11713	2.3
326.16553	3.5
327.17416	2.8
329.11453	4.0
329.15042	9.3
330.12015	3.5
330.15982	4.6
337.08182	3.0
339.09799	5.3
341.11411	3.8
342.12308	7.9
342.16132	3.3
355.09177	5.6
355.13251	3.4
356.13882	8.3
357.10742	2.8
358.15414	13.6
369.10721	3.1
370.15591	5.3
371.16425	3.0
373.13916	8.8
382.11874	5.6
383.08231	4.3
383.12424	8.1
384.13455	6.3
385.09897	2.8
385.14246	4.3
386.18613	7.0
398.14893	26.7
399.15735	49.7
400.16312	3.1
401.09891	7.5
412.16467	4.2
416.16095	6.5
420.30801	2.4
430.17773	6.8
431.18216	4.2
440.16199	3.6
446.16986	9.7
458.17072	100.0
459.17334	5.0
475.35333	6.6
476.17880	4.2
476.35345	3.6
477.36768	46.4
478.19342	3.2
478.36722	3.3
490.19742	96.9
491.19836	5.7
496.20590	3.9
565.23987	3.3
571.25323	4.9
583.25397	26.0
584.26117	2.7
586.53925	2.5
597.23315	7.0
609.22937	8.2
615.25647	3.6
627.24030	8.0
641.25305	9.5
659.26343	10.6
659.37756	3.1
659.50232	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	659.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
56.05026	0.9
58.06580	1.1
60.25288	0.4
65.03926	1.6
65.78373	0.4
67.05500	3.2
68.05026	0.7
69.07057	3.0
69.40547	3.2
69.40977	1.3
70.06581	12.9
71.04962	0.4
71.16007	0.4
72.08144	2.6
79.05478	3.2
80.04989	1.2
81.03398	0.6
81.05773	0.5
81.07039	4.1
82.06564	1.8
83.08617	1.0
84.04522	1.0
84.08143	2.7
85.02878	1.3
85.06557	0.6
86.09694	5.2
91.05470	2.7
93.05759	0.7
93.07030	2.8
94.06555	6.5
94.89323	0.4
95.04968	1.6
95.07331	1.5
95.08583	4.1
96.08118	6.0
97.06487	0.7
97.10134	0.5
97.76974	0.4
98.09683	1.0
103.05465	0.4
104.04953	0.8
105.07034	1.2
106.06546	1.8
107.04919	0.9
107.07352	0.7
107.08571	2.2
108.04475	3.7
108.08101	8.7
109.08873	1.0
109.10139	1.0
110.06026	0.7
110.07145	1.9
110.09664	5.3
110.10368	0.5
116.04986	1.2
118.06503	0.6
119.08558	1.3
119.42470	0.4
120.04458	1.5
120.08095	8.1
121.10110	0.9
122.06007	2.5
122.09647	2.0
123.04447	0.7
124.07567	3.2
124.11221	1.0
129.06946	0.5
129.10237	1.5
130.06563	0.4
131.08582	0.6
133.06079	0.5
133.10092	0.6
133.84499	0.4
134.05994	10.8
134.09555	0.5
135.11707	0.4
136.07561	8.5
136.11221	0.6
137.05928	0.6
138.05475	5.0
138.09116	8.6
143.08533	0.5
144.04434	1.8
144.08055	0.7
145.10094	0.6
146.06017	3.9
147.11673	0.7
148.07539	1.9
150.09146	0.6
152.07074	1.4
156.08078	0.4
157.10057	0.4
159.11597	0.6
160.03920	2.1
160.07561	0.9
162.05486	2.5
163.11143	0.6
164.07045	2.1
166.04994	3.5
166.08615	5.2
167.07158	0.8
170.09641	0.6
172.03906	12.2
174.05540	1.1
174.09154	0.7
176.07060	2.5
178.04970	12.2
178.06485	0.8
179.05363	0.4
180.06566	1.0
180.08038	0.6
182.08321	0.6
183.09178	1.8
183.14937	0.4
184.09845	1.0
185.10735	1.5
188.07100	0.9
190.04959	9.7
191.05324	0.5
192.17430	0.7
196.09933	1.1
197.10741	1.5
198.07712	0.7
198.09419	0.5
198.11462	0.6
199.08548	2.3
199.12201	0.4
200.10916	0.5
201.10223	0.6
202.15892	0.8
204.06535	21.6
207.09227	1.0
208.06070	0.8
208.09872	0.9
209.10757	1.3
210.11424	3.6
211.08638	2.3
211.12318	1.2
212.09174	0.7
212.10828	1.3
213.10191	4.1
214.10666	2.5
215.11774	1.4
218.15475	0.8
220.16927	19.1
221.20171	0.4
222.18509	9.0
223.08603	1.6
223.18884	0.7
224.09465	1.3
225.10239	3.4
226.08717	0.8
226.10936	1.3
227.08121	1.7
227.11789	3.7
228.08679	0.5
229.09703	1.9
229.13359	4.4
230.11765	1.1
235.08713	0.7
236.09392	1.7
236.16437	0.8
237.06557	0.6
237.10172	1.7
238.17981	46.0
239.08150	1.5
239.11783	2.1
239.18518	1.5
240.10312	0.9
240.19553	40.5
241.09732	2.2
241.13351	0.8
241.19893	0.8
242.11942	0.9
243.11261	8.6
245.12885	2.3
249.10237	1.6
250.07047	1.1
251.08218	1.2
251.11780	1.3
253.09715	3.9
253.12071	0.5
253.13306	0.5
254.10516	0.6
255.11241	2.9
256.11984	0.6
256.19073	1.8
257.09283	0.7
257.09698	0.8
257.12845	10.0
263.08200	0.5
264.08914	1.6
265.09686	1.8
267.07718	0.4
267.11273	1.9
269.09360	2.2
269.12646	2.4
271.10709	9.5
272.11484	7.0
273.12311	4.9
275.14001	0.6
277.09583	0.5
278.10529	0.5
279.07938	1.0
279.11282	1.9
281.09235	0.5
281.12793	0.8
282.09979	0.8
283.10724	3.5
284.11386	0.8
285.12289	19.7
286.12851	0.6
287.10294	4.1
287.13867	1.2
293.09152	0.9
294.10016	0.6
295.10693	1.4
297.09103	0.9
297.12286	4.3
298.09625	0.6
299.10330	1.3
299.14001	1.8
300.11255	0.5
301.11783	13.7
302.12677	1.4
303.13348	20.3
304.14056	0.8
307.07040	0.9
307.10614	0.9
309.08713	0.6
310.05753	0.5
311.10413	0.9
313.11703	2.8
315.10046	0.9
316.10748	0.6
316.14337	0.7
317.15378	0.5
318.15891	0.7
323.10281	3.2
325.11780	12.9
327.13382	1.5
328.10785	0.8
329.11481	1.7
329.15158	0.7
330.12228	1.2
331.13071	1.6
337.08234	2.8
337.11630	0.6
339.09811	0.9
340.14322	0.6
341.11359	0.5
342.12494	0.7
343.12973	3.7
344.13931	2.2
345.14651	0.5
346.15530	1.2
355.09180	3.9
356.09836	0.7
356.14252	0.5
357.10635	0.5
357.14447	4.7
358.11630	0.6
358.15720	2.4
361.14236	0.6
365.07791	0.6
368.13727	0.5
370.11856	1.2
371.12399	0.9
372.13333	2.6
372.17383	0.7
373.14084	1.2
374.14890	1.8
376.16379	0.9
383.08698	3.6
384.13272	0.7
385.14197	1.2
386.14899	5.6
386.19519	0.4
387.15863	2.5
388.16519	1.1
392.16235	0.6
399.15771	0.6
400.16632	0.7
401.09448	2.9
401.13541	0.7
402.14111	1.1
402.18552	0.8
403.15485	0.7
404.15842	3.2
406.17670	2.5
414.14450	5.5
415.15253	10.6
416.15762	1.1
418.17700	1.5
420.14777	1.9
420.20099	0.6
428.15836	1.0
430.17596	1.4
431.14694	0.6
432.15414	6.9
433.15762	0.8
438.20831	2.4
444.15506	1.2
446.17130	1.6
456.15387	2.6
458.16946	1.1
459.35751	0.5
462.16440	7.5
464.18271	1.0
474.16541	15.7
475.16495	1.2
475.34930	0.5
476.18063	0.8
476.35471	1.3
477.36816	100.0
478.37125	0.9
490.19708	0.7
494.19089	0.8
506.19244	5.2
529.24384	1.6
535.24164	0.5
538.21301	0.5
569.23846	4.3
571.25439	16.0
572.25549	2.0
579.22278	1.5
579.41345	0.6
581.23767	0.9
583.25659	2.0
585.23383	2.9
591.22357	0.6
597.23370	8.9
597.41730	1.5
598.23071	1.0
599.24756	3.4
609.23358	5.2
614.42517	0.7
615.24420	8.0
615.42328	0.7
616.24359	0.9
627.24408	48.0
628.24573	3.8
631.26978	0.6
641.22430	3.9
659.26746	3.5
659.43347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52972	1.1
65.03918	7.4
69.49731	11.5
70.06553	1.8
77.03918	2.1
77.70807	1.1
79.05475	2.1
80.05006	1.9
90.48981	1.0
92.04975	3.4
94.06553	12.9
96.42465	1.1
104.04965	4.0
106.06509	4.3
108.04462	19.7
108.08086	1.6
117.06966	1.3
118.06514	2.0
120.08073	3.1
122.06016	2.6
124.07573	1.3
134.05989	71.4
136.07558	15.8
138.05476	29.6
138.09122	10.6
144.08044	1.9
146.06006	6.3
150.05403	1.5
150.09135	1.6
152.03412	3.5
156.08087	1.7
157.08961	1.8
160.03880	3.2
162.05498	3.6
163.04977	3.3
164.07016	3.1
166.04965	22.0
168.08029	1.1
169.07484	1.7
169.08777	1.6
170.08286	2.0
170.09615	2.1
171.10466	1.3
178.04964	79.0
180.06544	5.2
181.07536	2.1
182.08278	2.3
182.09680	2.5
183.09142	10.6
184.07590	1.6
184.09828	4.6
184.11200	3.6
185.10724	7.3
186.11409	1.7
186.12836	2.1
188.10622	1.8
194.09477	1.3
195.09119	2.5
196.06100	1.2
196.09911	4.5
197.10684	9.0
198.09113	3.6
198.11475	2.1
199.08568	2.5
199.12245	2.4
200.09229	1.3
200.10828	1.3
201.10161	3.2
201.13965	1.9
202.12288	1.8
207.09161	5.9
208.06029	2.7
208.09888	4.6
209.06856	1.5
209.10722	7.9
210.09402	2.0
210.11472	27.4
211.08530	6.1
211.12215	8.3
212.09081	2.3
212.10646	8.0
213.10045	6.9
213.13902	2.5
214.10512	1.6
214.12520	6.2
215.11710	2.8
223.08643	3.3
224.09271	1.7
225.10135	12.3
226.10899	3.5
227.08221	1.4
227.11760	8.7
228.08871	1.4
229.09752	6.2
229.13280	10.7
230.11745	8.1
235.08673	1.8
237.06468	1.8
237.10155	3.5
239.08087	12.3
239.11815	4.5
240.10133	3.8
240.19540	2.4
241.09700	5.4
241.13260	1.3
242.10167	1.5
242.11734	4.1
243.11208	14.1
244.09590	2.1
244.11812	1.2
245.12833	15.1
250.07008	5.0
251.08099	3.6
253.09770	13.0
254.10512	1.9
255.11183	11.5
256.08542	1.8
257.09143	3.6
257.12784	24.3
259.14386	2.8
264.08890	1.5
265.09818	1.5
267.07623	1.6
267.11221	7.7
268.09732	1.5
269.09531	2.3
269.12775	13.1
270.09903	2.4
271.10727	55.1
272.11502	42.3
273.09088	2.0
273.12274	9.5
275.13852	1.9
279.07593	3.1
283.07230	2.0
283.10663	13.2
285.12280	66.8
286.12701	1.6
287.13895	7.0
291.07568	2.4
293.09219	2.3
295.10699	4.3
297.08560	3.9
298.09424	5.3
299.10223	3.0
301.11771	96.3
302.12140	2.4
303.13336	37.2
305.05695	1.5
307.07047	4.8
310.09326	2.8
311.10226	3.0
313.11810	14.6
315.09634	2.9
321.08627	2.2
329.11255	4.0
331.12836	2.3
337.08148	19.6
339.09674	3.5
355.09213	18.3
357.10883	2.5
364.16565	1.7
365.07608	4.6
378.18048	1.8
383.08649	18.6
389.96304	1.4
401.09650	17.9
404.19772	1.5
406.17560	6.0
416.15622	1.5
420.19183	9.1
436.18539	4.3
438.20181	17.4
450.16495	2.9
477.36710	2.0
527.22266	1.8
529.24091	10.3
537.21027	2.7
553.24274	3.2
569.23877	45.5
570.23438	1.7
571.25415	100.0
572.25494	4.0
579.22455	6.5
597.23309	70.6
598.23206	3.0
615.24371	45.1
616.24188	2.8
623.20721	2.5
641.22369	26.8
659.23376	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	658.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89966	0.8
52.19972	0.7
53.03933	2.9
55.01861	1.5
55.05502	41.3
57.03440	4.0
57.03664	0.7
57.07066	17.4
59.04698	1.7
59.04993	30.5
61.02906	1.3
67.05494	7.1
68.50762	0.7
69.03426	7.9
69.07058	53.5
70.06570	5.4
71.04981	4.6
71.08617	6.9
71.24811	1.8
72.08117	1.4
73.02895	0.9
79.05460	2.2
81.03407	9.2
81.07040	14.9
82.06543	1.1
83.08605	100.0
84.04501	1.0
84.08121	2.4
84.08952	1.5
85.02892	18.6
85.06544	2.0
86.09694	2.8
87.00816	6.1
89.06016	5.9
91.05482	4.0
93.07037	1.2
95.04951	2.0
95.08598	11.6
97.02872	5.0
97.10153	51.8
98.28535	0.8
99.04450	3.3
99.08039	1.7
101.06004	1.6
101.09632	1.1
103.07552	3.1
105.01854	5.4
105.07028	1.4
107.07047	1.3
107.08569	1.2
108.08066	1.7
109.02841	6.4
109.10136	8.1
110.07130	0.9
111.04427	1.7
111.11700	7.7
113.09614	0.8
117.09127	5.6
120.08108	3.3
122.05970	1.0
122.09630	1.5
123.11658	5.4
124.07529	1.0
125.13229	4.9
127.03902	9.7
129.01845	1.2
135.10146	2.0
136.07498	1.4
137.13243	2.6
139.14824	2.3
145.04938	3.5
145.10065	1.0
147.10161	3.0
151.14833	1.4
157.15810	0.9
159.02852	3.0
159.11597	1.3
161.11742	2.0
165.11256	1.0
171.17441	1.0
175.13242	1.6
179.17902	1.5
193.19522	0.8
197.18974	2.4
201.18475	1.9
205.14311	2.4
211.20598	1.5
215.20099	5.1
219.15886	2.1
220.16991	3.0
225.10178	0.9
229.21559	5.4
231.04980	2.5
238.17900	5.0
240.19431	1.3
253.09622	1.5
255.11163	0.9
255.23247	4.0
257.12881	1.0
259.22592	2.1
269.24680	2.8
273.24100	5.1
287.25885	1.5
289.09131	1.1
313.12216	0.9
331.28525	0.9
375.31012	76.7
376.31345	2.4
393.32053	52.1
394.32608	0.8
421.21368	1.1
477.36548	0.9
571.04944	1.1
599.60614	0.8
612.48840	1.0
626.22681	1.0
627.23932	1.6
658.38947	4.5
659.26581	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	657.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83478	0.2
53.03919	0.3
53.30039	0.2
55.01846	0.2
55.05506	1.6
56.05027	0.6
57.10567	0.2
58.06580	0.3
64.06850	0.2
67.05490	1.4
68.05007	0.7
69.03428	0.2
69.07056	3.9
70.06577	4.7
71.01937	0.4
71.02311	0.4
71.04985	0.4
72.08128	0.6
74.06087	0.2
79.05479	2.0
80.05009	0.6
81.07044	2.1
82.06562	1.3
83.08596	0.4
84.04500	1.6
84.08131	1.0
85.02902	0.3
86.09689	49.2
87.10020	0.3
91.05475	1.0
93.07037	2.0
94.06557	2.2
95.04948	0.6
95.07329	0.4
95.08578	1.7
96.08113	3.2
97.06493	0.2
97.10151	0.6
98.09663	0.6
102.05524	2.9
105.07015	0.9
107.04905	1.1
107.07343	1.1
107.08569	1.7
108.07394	0.3
108.08102	4.8
108.08839	0.3
109.06508	0.3
109.08897	0.7
109.10130	0.7
110.09674	1.1
117.06969	0.3
119.08578	0.9
120.08079	1.5
121.06468	0.4
121.08894	0.2
121.10126	0.6
122.09642	2.9
123.08024	0.2
123.10408	0.5
124.11210	1.1
129.06781	0.2
131.08525	0.3
133.10095	0.5
134.09641	0.8
135.08063	0.2
135.11671	0.5
136.07608	0.3
136.11206	0.5
138.09070	0.3
143.08495	0.3
145.10117	0.8
146.09624	0.3
149.09578	0.2
150.12706	0.3
152.10677	0.3
154.15909	0.6
157.10054	0.4
159.08015	0.3
163.11168	0.4
165.09094	0.3
166.08696	0.2
170.11732	1.2
176.14339	0.4
185.13022	0.3
189.12318	1.6
189.99809	0.2
190.15935	0.5
192.13823	0.4
192.17451	1.1
195.11626	0.2
197.09453	0.2
197.12836	0.9
199.18027	4.4
202.15904	1.3
215.13863	10.7
218.15370	2.2
219.18564	0.4
220.16927	24.9
221.17267	0.4
222.18486	2.7
226.10548	0.2
227.17513	3.3
236.16455	1.7
237.19551	0.5
238.17975	54.5
238.68230	0.2
239.18373	1.4
239.68713	0.3
240.19550	11.6
243.13370	15.4
256.19043	3.1
258.20770	0.5
283.20105	0.3
302.20679	1.2
311.19376	0.3
326.93655	0.2
338.20575	0.4
340.26038	1.1
356.21716	9.9
415.29163	0.6
423.29013	0.2
424.28113	0.3
441.30548	1.6
451.29071	0.4
457.34146	0.6
464.97299	0.2
469.30167	8.8
470.30679	0.2
475.35233	100.0
476.35483	2.9
477.36932	0.2
499.34988	0.3
517.35999	1.5
531.84094	0.2
535.37250	1.7
537.36102	0.6
554.38934	1.4
577.40033	1.7
582.38617	2.1
595.41547	0.9
657.40930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91949	0.4
56.05036	0.6
57.18039	0.4
68.05038	0.5
68.10191	0.5
69.07057	1.1
70.02946	5.0
70.06583	76.2
71.06923	0.6
71.28394	0.8
72.08151	1.8
72.81933	0.4
84.04492	1.5
84.08134	18.1
85.02898	0.9
86.09274	0.3
86.09697	11.9
87.05579	35.0
88.03977	5.0
91.05493	1.1
96.04468	1.2
96.08102	0.6
98.02399	1.2
99.05566	4.4
101.10755	0.5
110.07178	1.5
112.11288	0.5
113.07098	0.7
114.05519	1.5
115.08672	0.5
116.07094	2.0
120.08134	0.8
122.06030	0.8
124.03978	1.0
125.07098	2.8
126.05576	0.4
126.06651	1.6
129.10223	8.0
130.08621	12.8
135.04378	0.5
136.07576	1.2
139.08679	1.1
141.06569	5.4
141.10242	0.6
142.04994	1.2
143.11909	0.5
144.67976	0.4
147.04318	0.4
147.11270	15.9
147.12442	0.8
153.06615	0.5
155.08150	0.5
159.07642	22.5
163.03908	1.9
167.08173	1.5
168.04773	0.6
168.07719	1.2
169.06122	1.8
177.05363	0.5
181.09691	0.5
183.14909	25.5
184.10800	0.6
185.05534	0.5
185.09140	0.7
186.08635	2.8
187.07112	11.0
193.13387	0.5
195.07614	3.3
196.05893	2.1
207.01634	0.5
207.14915	0.6
209.09074	0.5
211.14403	3.3
212.10281	0.9
213.08630	0.8
214.08264	0.8
217.34631	0.4
220.14516	1.2
225.85703	0.4
229.15613	0.7
242.18686	0.6
248.10199	0.7
249.09007	0.4
256.09430	0.7
260.19681	4.1
262.15610	0.7
263.13943	1.5
266.07596	1.1
266.11575	0.8
266.15036	1.7
273.11908	1.0
283.10474	1.6
290.15079	0.8
294.10855	1.8
301.11417	6.8
301.14624	0.6
308.16049	1.4
311.13553	1.6
312.19540	0.7
325.18948	0.7
339.24008	0.5
357.24908	13.2
381.13956	0.9
398.16608	3.6
409.24493	1.0
433.36115	0.5
454.26898	1.2
471.29272	1.7
483.25516	2.1
494.22372	1.3
511.25092	1.5
542.32788	3.7
639.34528	0.9
640.32855	1.0
657.35590	100.0
658.35883	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	657.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64711	0.2
55.01838	0.4
65.03924	1.1
65.51789	0.2
67.05474	0.3
69.03387	0.2
69.07020	0.4
70.06536	0.9
71.75025	0.3
72.08103	0.3
77.03893	0.2
79.05457	0.3
81.07012	0.4
83.08580	0.2
86.09653	0.3
90.68153	0.2
91.05448	0.3
92.04987	1.1
93.06977	0.2
94.06547	1.6
95.04883	0.3
97.02791	0.2
97.50469	0.2
104.04927	0.9
107.08517	0.4
108.04407	0.5
108.08012	0.2
109.06431	0.2
119.08533	0.4
120.08011	0.3
120.13435	0.2
122.05964	0.7
130.06456	0.3
132.04425	1.6
133.10051	0.2
134.05937	0.3
136.03847	0.4
136.07545	1.8
138.04454	0.4
138.05486	7.8
138.09085	1.6
145.10033	0.2
146.05945	0.6
150.05434	0.5
155.07272	0.3
160.03935	1.4
160.07515	0.2
162.05435	0.6
163.05017	0.3
165.09055	0.3
166.04968	3.5
168.08029	0.4
169.08800	0.3
178.04881	0.2
180.06561	0.4
181.07542	0.5
182.08292	0.4
183.09106	0.8
184.07567	0.3
184.11208	0.5
186.12779	0.5
188.03407	6.0
188.06995	0.4
188.14253	0.4
195.09172	0.8
196.09851	0.8
197.10736	1.1
198.09219	0.3
199.06281	0.7
199.08517	0.5
200.09341	0.6
201.10188	0.4
201.13815	0.2
204.06592	0.2
206.04468	2.6
209.07018	0.9
209.10788	1.0
210.07814	0.7
210.11511	0.4
211.08606	1.1
211.12222	1.3
212.06897	0.3
212.08939	0.3
212.10988	0.9
213.10165	0.8
213.13786	0.8
214.12402	1.2
215.11729	0.4
220.05933	0.5
220.16795	0.4
221.06949	0.2
221.10684	0.6
222.07845	0.7
223.08617	3.5
224.09363	1.0
225.06522	0.3
225.10188	1.9
226.08713	0.4
226.10719	0.4
227.08067	0.8
228.08867	4.4
229.09521	0.3
229.13351	1.2
230.11716	0.7
235.08527	0.3
236.09296	0.4
237.06561	1.6
237.10181	2.9
238.07184	1.4
238.10887	0.9
238.18109	1.0
239.08128	1.3
239.09592	0.3
239.11569	1.7
239.18678	0.3
240.08536	0.4
240.19514	0.6
241.09628	1.9
241.13358	0.5
242.11691	0.9
243.11250	2.1
244.09625	0.2
249.10129	0.7
250.07350	0.6
251.08121	5.8
252.08868	1.7
253.06044	3.1
253.09644	3.3
254.06729	1.0
254.10391	0.3
255.07538	0.3
255.11240	0.5
256.08380	1.4
256.11908	0.5
257.09048	1.2
257.12799	2.4
259.14392	2.2
264.08945	0.4
264.53439	0.2
265.09674	5.4
266.06805	2.0
266.10419	5.2
267.07590	4.8
267.11185	3.9
268.08231	0.3
269.05698	1.6
269.09119	1.3
270.09845	0.3
271.10690	0.5
272.11514	5.7
273.12003	0.3
274.09488	0.3
277.09601	0.5
278.06586	0.3
279.07614	5.3
280.08353	1.9
281.05576	1.3
281.09146	1.9
283.10684	1.6
284.11484	5.5
285.12274	6.1
286.12427	0.2
293.05850	0.4
293.09158	4.0
294.06329	3.9
294.09860	20.7
295.07141	0.4
295.10669	6.0
296.11066	0.5
297.08694	3.1
297.11899	0.3
298.09100	0.3
299.10272	1.9
300.10748	0.3
303.13333	4.7
307.07071	12.6
308.07510	0.4
309.08224	0.2
310.09222	0.2
311.10205	2.8
313.11731	0.3
314.09061	0.6
314.13058	0.2
321.08621	2.4
323.10071	1.1
324.07404	1.6
324.10764	0.3
325.08151	1.7
326.08969	0.7
337.08295	0.2
339.09702	100.0
340.10010	3.1
341.11377	0.4
349.07990	1.5
355.12671	0.3
357.10904	0.4
367.09189	19.0
368.09537	0.4
385.10239	47.5
386.10562	1.5
420.19055	1.0
436.50153	0.2
438.20169	3.0
460.15088	0.6
475.35410	0.3
490.15979	0.2
581.23920	0.6
583.22290	0.3
607.21649	0.6
625.22833	49.6
626.23065	2.8
639.24579	0.4
657.25409	11.0
657.40942	0.6
658.25769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21777	0.2
53.03912	0.5
55.01850	0.5
55.05507	2.6
56.04998	0.8
57.03404	0.6
58.06572	0.4
60.04478	0.7
61.02876	0.9
67.05501	2.1
68.04983	0.8
69.03421	2.8
69.07062	3.6
69.58642	2.1
70.06583	18.5
70.06940	0.7
71.04942	0.8
71.06877	0.5
72.08141	2.5
73.02869	0.7
74.06046	0.8
79.05480	2.7
80.05008	1.1
81.03358	1.0
81.03775	0.2
81.05773	0.3
81.07042	2.9
82.06145	0.2
82.06566	1.7
82.13424	0.2
83.04948	0.7
83.06062	0.4
83.08577	0.6
84.04060	0.2
84.04492	3.1
84.08128	5.1
85.02444	0.4
85.02895	4.6
85.06506	0.4
86.09695	7.3
87.04417	0.7
87.05558	0.6
88.03957	0.6
91.05469	2.5
93.04515	0.3
93.05788	0.3
93.07034	3.2
94.06554	3.7
95.04932	0.4
95.07304	0.6
95.08575	1.7
96.08118	6.0
97.02871	2.2
97.10119	1.0
97.10683	0.2
98.06013	0.3
98.09651	0.3
99.04415	0.5
101.07099	0.9
102.05499	0.8
104.05277	0.6
105.07015	1.6
106.06529	0.3
107.04905	0.2
107.07333	2.2
107.08562	2.2
108.08102	7.7
108.08853	0.4
109.02829	0.7
109.06492	0.4
109.08921	1.3
109.10107	0.8
110.05997	0.3
110.07149	2.0
110.09676	1.9
112.08644	0.3
113.07082	0.4
115.08665	0.4
116.07072	0.5
117.06967	0.6
119.04873	0.6
119.08557	1.6
120.08082	3.6
121.06473	0.3
121.10099	0.6
122.09657	4.9
123.08087	0.3
123.10391	1.0
124.07527	0.3
124.11238	2.0
126.05511	0.4
127.03867	1.0
127.04781	0.2
127.08688	0.3
129.10228	2.9
130.04958	0.4
130.06544	0.2
131.04866	0.5
131.08556	0.5
132.08061	0.4
133.06160	0.3
133.10086	0.9
134.09587	0.6
135.08023	0.3
135.10443	0.4
135.11621	0.5
136.07578	2.3
136.11157	0.9
137.05920	0.7
138.09065	0.3
141.10165	0.6
143.08348	0.4
143.11737	0.4
145.04892	0.4
145.10066	0.7
146.09525	0.3
147.04340	0.5
147.07574	0.6
148.11147	0.3
149.05954	0.5
150.12823	0.3
155.08142	0.6
156.07613	0.3
157.09874	0.3
159.07933	0.2
159.09149	0.3
160.11243	0.3
161.09409	0.3
162.12820	0.3
163.03880	0.3
163.07515	0.4
163.11174	0.3
167.06929	0.5
169.09743	0.4
169.13367	0.5
170.11766	1.0
171.11301	0.3
173.12949	0.4
174.12773	0.5
175.14783	0.6
176.14262	0.4
177.05359	0.4
178.12195	0.3
179.06975	0.3
183.14874	0.5
185.09125	0.6
185.13084	0.4
185.16452	0.3
189.08838	0.3
190.15871	0.7
192.13820	0.3
192.17439	1.6
198.14911	0.3
199.10840	0.3
202.15810	2.0
205.09572	0.2
212.10332	0.4
213.08614	0.6
218.15376	2.5
219.10080	0.3
220.16934	43.5
221.17229	1.0
222.18475	0.7
230.11354	0.4
236.16403	1.8
236.39911	0.2
237.67012	0.3
238.17982	100.0
239.18323	2.7
240.19550	3.2
244.12938	0.9
256.19043	41.2
257.19434	1.3
262.17804	0.3
280.19058	2.3
284.12384	0.6
291.40091	0.3
364.21155	0.3
382.22202	3.5
385.97556	0.2
397.20651	0.5
400.23242	3.5
402.25003	0.4
436.30814	0.4
468.41449	0.3
475.35400	0.7
493.36310	48.0
494.36646	3.1
510.28973	0.3
517.36420	0.7
637.40088	0.8
655.41577	84.8
656.41998	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	655.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
57.07058	3.6
59.05011	0.4
71.04963	0.5
71.62222	0.6
83.04965	11.2
83.05458	0.7
91.05466	1.1
95.08636	0.5
98.98471	0.6
105.07026	0.7
107.04758	0.5
107.08569	0.6
109.02625	2.3
113.48646	0.4
123.04174	0.7
123.11677	0.5
128.06186	0.5
129.07014	1.3
133.08543	0.4
133.10127	0.6
147.08020	0.9
147.11722	1.5
162.92259	0.4
175.01523	5.5
181.02583	10.8
199.03777	0.7
224.22534	0.5
227.04623	3.4
257.05768	1.1
277.02206	0.4
283.11227	1.1
293.15204	0.5
313.11908	6.3
313.14908	0.5
322.99149	0.5
331.13293	0.6
341.17484	1.5
369.18417	2.0
399.21759	0.8
425.24683	1.4
433.23541	3.3
447.24997	4.4
483.28943	0.7
490.22232	0.4
491.27625	3.6
505.29279	1.5
539.31335	8.2
543.18964	3.5
549.31714	7.4
563.33289	5.2
579.35187	0.6
597.35382	17.5
598.36066	0.8
599.25311	9.6
599.35040	0.5
600.26270	0.7
623.24982	0.9
637.38489	0.9
655.39679	100.0
656.31195	0.7
656.40094	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	655.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85913	0.6
55.05496	4.0
57.03419	3.3
57.07062	37.9
61.02654	0.9
61.02913	11.9
65.23795	0.7
67.05488	9.8
69.03416	1.3
69.07058	7.5
71.08614	32.3
71.61231	1.3
73.02898	4.8
74.62035	0.8
75.04442	2.3
81.06591	1.3
81.07036	15.3
83.08154	1.0
83.08604	12.5
85.02885	13.3
85.10154	15.7
89.06018	1.3
91.03939	13.3
91.05467	0.8
95.08587	20.9
97.02866	7.1
97.10153	5.3
99.11712	0.8
103.07579	1.0
106.31142	0.7
109.10133	10.6
111.11678	1.2
123.11658	5.6
125.13255	0.7
127.03899	5.7
135.11655	1.0
137.13245	1.9
145.04915	7.2
146.08067	1.6
163.05995	10.7
221.22537	0.9
222.18536	0.9
238.18159	0.9
239.23645	25.8
240.19536	3.5
257.24762	3.8
298.27054	1.1
313.27286	100.0
314.27606	2.0
323.01447	0.8
331.28354	24.2
479.38632	1.4
555.01984	0.8
655.40558	1.1
675.85577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61666	0.4
55.05499	3.2
57.07076	3.7
58.73753	0.4
70.06904	0.8
70.07317	1.3
71.04999	0.8
79.05505	0.4
83.04965	12.8
83.08580	0.5
91.05486	1.0
93.07038	0.5
98.98446	0.8
105.07048	1.1
107.04735	1.0
109.02607	2.3
121.10173	0.4
123.04141	0.5
128.06227	0.9
129.07042	1.3
141.07013	0.5
147.08043	1.0
147.11700	1.6
151.01535	0.5
165.98439	0.4
175.01524	5.9
181.02582	9.6
181.04176	0.5
227.04616	2.7
238.18068	0.5
239.04698	0.7
257.05850	1.6
259.16797	0.5
283.11084	1.0
313.11960	6.6
331.13193	0.5
341.17139	2.2
369.18130	2.6
399.21414	0.7
425.24637	2.0
433.23340	4.2
447.25027	4.1
483.28723	0.4
487.12857	0.5
491.27740	3.1
505.29065	1.8
539.31268	9.3
540.31635	1.3
543.19037	5.0
544.19598	0.8
549.31750	6.1
550.32355	0.5
563.33472	4.7
564.33807	0.5
579.34259	0.7
585.27411	0.8
585.82257	0.5
597.35358	16.4
598.35895	1.5
599.25287	13.3
600.25922	1.3
637.38397	2.0
655.39697	100.0
656.31769	1.0
656.40302	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	653.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05510	2.0
56.05024	5.4
58.99580	1.8
59.04964	0.9
67.05492	4.8
69.07059	7.3
70.06580	4.6
71.26295	0.8
71.26664	1.7
72.08138	1.4
76.02213	3.5
79.05467	5.4
79.66800	0.9
81.03391	0.8
81.07044	41.2
82.42924	0.7
83.06094	16.6
83.08623	1.0
84.04491	100.0
84.08131	1.3
85.01111	1.2
85.02883	1.6
85.04812	1.0
86.09692	2.3
89.05993	1.4
89.07137	3.9
91.05443	1.3
93.07035	4.8
95.04950	1.3
95.08591	13.4
101.07127	73.0
102.03748	10.8
102.05523	1.4
105.07025	2.2
107.08570	4.3
109.10146	4.2
120.08064	1.1
121.10118	4.5
123.11665	1.5
128.08209	1.6
129.05702	1.4
129.06570	11.5
129.10228	0.9
130.03252	11.0
130.04971	32.5
133.10106	0.8
135.11650	1.4
136.07579	1.0
137.13217	2.2
145.10141	0.9
147.05844	19.3
147.07623	29.8
149.13214	2.9
155.14116	0.7
158.02699	5.5
165.09068	0.9
166.05060	1.6
166.69806	0.7
167.08110	2.7
175.05333	15.6
177.11427	1.0
183.07651	1.5
192.07988	3.6
195.07605	4.0
200.10289	4.0
212.10353	1.3
213.08632	1.9
220.16823	1.2
223.07085	7.2
225.10353	1.1
238.17969	1.4
240.09781	9.9
241.08168	15.6
257.12396	32.4
258.10828	35.7
275.13535	24.7
284.11398	1.9
285.12216	1.3
286.08508	5.2
303.11148	15.6
315.13434	9.2
316.13531	1.4
333.14322	12.8
346.17142	3.5
356.15637	1.0
379.24036	2.6
396.26675	1.7
412.88843	0.9
414.14362	1.6
415.12891	1.0
431.17346	1.2
432.15494	5.6
449.18149	9.3
451.90778	0.8
507.29810	8.9
636.33728	1.9
653.36731	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	655.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.5
55.13822	1.0
57.03431	4.1
57.06786	2.1
57.07066	40.8
61.02924	7.9
65.96274	1.2
66.09117	1.2
67.05492	11.5
69.07061	9.3
70.06593	2.0
71.06927	1.1
71.08224	1.7
71.08620	28.0
71.73597	1.5
71.74028	1.1
73.02903	4.0
75.04472	2.7
81.07047	13.9
82.16610	1.0
83.08599	10.0
85.02885	8.9
85.10172	14.7
91.03942	6.8
95.08597	21.1
97.02885	4.5
97.10155	5.2
109.10133	9.1
123.11682	4.9
127.03918	3.2
137.13222	1.6
137.65215	1.2
145.04950	3.8
163.05957	6.6
202.40668	1.1
237.66280	1.1
239.23660	23.2
257.24728	4.2
281.93369	1.1
298.27377	1.5
312.72360	1.2
313.27319	100.0
314.27567	1.8
331.28381	19.9
475.32550	2.6
632.65637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05260	0.2
55.05495	1.9
58.06589	1.4
67.05500	2.7
68.05022	0.2
69.07058	1.9
69.71877	0.5
69.72281	1.5
70.06583	6.5
71.04959	0.5
72.08123	0.4
79.05487	1.6
80.05001	0.4
81.06665	0.3
81.07047	3.7
82.06544	0.8
83.04980	0.2
83.07333	0.2
83.08585	0.7
84.04456	0.6
84.08105	0.9
85.02875	0.4
85.06496	0.3
86.09706	1.1
91.05442	0.9
93.07035	1.7
94.06561	2.1
95.07338	0.3
95.08041	0.3
95.08594	2.9
96.08116	2.6
97.06537	0.3
97.10139	0.6
98.09682	1.2
98.21529	0.4
105.06989	0.9
107.07297	0.8
107.08570	1.8
108.08115	3.0
109.08907	0.3
109.10130	1.2
110.09653	0.9
117.06992	0.5
119.08540	0.8
120.08081	1.2
121.06487	0.3
121.10104	1.0
122.09648	1.8
123.10408	0.2
123.11652	0.5
124.11194	0.4
127.03893	0.2
129.06969	0.2
131.08540	0.4
132.08057	0.6
133.10109	0.7
134.09628	0.3
135.08043	0.3
135.11629	0.4
136.07544	0.8
144.07973	0.2
145.10081	0.6
146.09589	0.3
147.11708	0.5
149.09604	0.2
159.09137	0.9
159.11571	0.2
160.07521	0.4
161.09584	0.3
163.11130	0.5
170.11768	0.3
174.09070	0.3
174.12846	0.3
176.14397	0.4
192.17473	0.6
200.14278	0.5
202.15880	0.9
204.13821	0.5
218.15373	1.0
220.16934	16.1
221.17319	0.9
222.18506	10.9
223.18945	0.3
236.16437	0.5
238.17984	41.9
239.18373	2.2
240.19553	43.1
241.19923	1.3
256.13312	0.4
256.19061	2.0
258.20569	0.6
284.12964	0.4
314.17587	0.3
316.15613	0.4
326.20026	0.3
394.18481	0.7
406.72870	0.2
409.30957	0.2
459.35751	0.5
475.35190	0.6
476.35751	1.2
477.36807	100.0
478.37134	5.7
615.35950	0.3
633.37238	12.5
634.37494	1.0
651.37933	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	651.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.04997	0.5
57.03407	0.3
58.06591	1.1
59.12900	0.2
65.03899	0.2
67.05502	1.7
68.03897	0.2
69.07060	1.8
70.06586	5.3
71.04955	0.4
72.08138	0.4
79.05472	1.4
80.04971	0.4
81.07055	3.0
82.06541	0.8
83.08578	0.5
84.04473	0.3
84.08125	0.6
85.02875	0.3
85.06509	0.2
86.09708	1.3
91.05437	0.8
93.07028	1.8
94.06542	1.4
95.04933	0.2
95.08593	2.0
96.08124	2.9
97.06534	0.3
97.10157	0.4
98.09645	0.8
98.20708	0.5
99.48222	0.2
105.07020	1.2
106.06502	0.3
107.07276	0.5
107.08553	1.5
108.08092	2.2
109.08910	0.3
109.10120	0.8
110.07093	0.2
110.09651	1.0
111.08051	0.3
119.08529	0.9
119.70980	0.2
120.08089	2.0
121.10101	0.9
122.09660	1.8
123.08037	0.3
123.10372	0.4
124.07606	0.2
124.11159	0.8
126.68668	0.2
131.08565	0.6
132.08057	0.6
133.10081	0.4
134.09605	0.5
135.11642	0.4
136.07523	0.4
136.11203	0.4
145.10097	0.4
147.09164	0.4
147.11655	0.4
159.09090	0.6
161.13240	0.2
163.11148	0.2
168.26402	0.2
175.08670	0.6
185.13246	0.2
187.08592	0.3
190.15811	0.3
192.17444	0.9
194.18964	0.3
202.15866	0.7
204.13812	0.2
218.15381	0.8
220.16951	14.8
221.17297	0.4
222.18513	8.3
236.16466	0.6
238.17992	48.4
239.18338	1.5
240.19557	41.5
241.19916	1.2
256.19119	0.5
258.15042	0.3
258.20648	0.6
282.42361	0.2
318.18195	0.6
334.15350	1.2
394.18082	0.4
431.30386	0.2
459.35971	0.3
477.36841	100.0
478.37128	5.5
626.91626	0.2
633.37250	3.0
651.29291	0.3
651.38647	3.4
652.39185	0.2
681.42877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
55.05505	2.5
56.05034	1.1
57.03408	0.4
58.06592	2.6
59.04963	0.2
63.34333	0.2
65.03908	0.4
67.05498	4.2
69.03418	0.2
69.07057	2.7
69.78914	1.6
70.06580	16.4
71.04995	1.2
71.06889	0.2
72.08150	1.3
74.06030	0.2
79.05473	2.6
80.04991	0.5
81.03394	0.3
81.07047	7.2
82.06568	1.3
83.04919	0.4
83.08562	0.9
84.04492	1.4
84.08134	1.8
85.02893	1.4
85.06497	0.5
86.06047	0.3
86.09689	2.9
91.05451	1.9
93.06559	0.2
93.07029	2.9
94.06007	0.3
94.06552	2.9
95.04925	0.8
95.07343	1.1
95.08590	6.4
96.07565	0.3
96.08119	3.5
97.02842	0.5
97.06483	0.8
97.08887	0.3
97.10155	0.4
98.09678	1.5
98.20737	0.4
101.07099	0.3
103.05447	0.4
105.07018	1.5
106.06503	0.4
107.04932	0.5
107.07305	0.9
107.08565	2.1
108.08096	4.0
109.06454	0.8
109.08920	0.5
109.10141	1.9
110.06010	0.4
110.07084	0.6
110.09661	4.3
111.08009	0.3
112.08614	0.2
114.05456	0.4
117.06968	0.5
118.06499	0.4
119.08582	1.1
120.08098	4.6
121.06448	0.3
121.10148	1.3
122.05993	0.4
122.09655	1.4
123.05450	0.2
123.08010	0.6
123.11639	0.6
124.07552	0.7
124.11151	0.7
129.06998	0.4
129.10190	0.7
130.06468	0.4
131.07268	1.0
131.08510	0.8
132.08080	1.7
133.10077	0.4
134.05952	1.0
134.09602	0.9
135.07988	0.4
135.11665	0.4
136.07561	2.2
136.11165	0.3
137.05995	0.2
137.09583	0.5
138.09119	16.7
139.09459	0.4
140.07002	0.2
140.10692	0.4
143.08531	0.3
144.04417	0.3
144.06898	0.3
144.08037	2.4
145.08804	0.9
145.10081	0.7
146.05952	1.0
146.09621	1.7
147.04407	0.3
147.06680	0.6
147.10448	0.4
147.11638	0.9
148.07553	1.6
149.09607	0.5
152.07033	0.4
156.08055	0.6
157.08803	0.9
158.06004	0.3
158.09601	2.1
158.11717	0.3
159.06779	0.3
159.09164	0.3
159.10393	0.8
160.07550	3.0
160.11105	0.5
162.05476	0.6
162.09093	1.2
163.03856	0.2
163.11099	0.4
164.07051	2.7
166.08601	1.4
169.10100	0.3
170.05966	0.3
170.09610	1.0
171.10361	0.4
172.03876	0.9
172.07614	1.3
172.11137	0.8
173.08311	0.8
173.09630	0.3
174.05495	1.7
174.09114	2.2
174.12733	0.3
175.14789	0.3
176.07016	1.3
178.04929	0.4
181.04843	0.3
182.09625	0.5
184.07483	0.9
184.11131	0.5
185.08334	0.3
186.05478	0.6
186.09105	1.1
186.12715	0.7
187.09721	0.3
188.06999	1.3
188.10626	0.4
190.04939	1.0
190.08522	0.5
192.06465	0.5
194.15367	0.2
194.19000	0.5
196.11195	0.4
198.09087	0.9
198.12781	0.3
200.07016	0.6
200.10684	0.5
200.14328	2.4
202.08600	0.5
202.15843	0.6
204.06551	2.3
204.10170	0.3
204.17442	0.3
205.15720	0.3
206.08134	0.6
208.11247	0.3
210.11394	1.2
212.06967	0.3
212.10454	0.4
212.14424	0.5
212.16350	0.5
214.08633	0.4
214.15860	0.7
216.06659	0.3
216.13820	0.5
218.08144	1.0
218.15372	0.5
220.16928	5.9
222.18500	23.1
223.18771	0.6
225.13745	0.2
228.13847	0.4
229.04843	0.3
230.07982	0.3
230.15468	1.3
234.14864	0.4
236.16454	0.6
237.10144	0.8
238.10747	0.5
238.17987	9.9
239.11736	0.8
239.18747	2.9
239.68884	0.6
240.19547	86.0
241.19948	1.8
242.15469	0.8
244.16846	0.4
246.14912	0.3
248.09305	0.6
250.11037	0.6
251.11888	1.3
252.12401	0.3
253.13390	0.7
254.15289	0.4
256.13315	2.2
256.16840	0.5
256.19168	0.5
258.14862	3.7
258.17822	0.3
258.20624	2.0
259.14651	0.2
260.16452	1.2
262.11185	0.3
262.14352	0.2
262.18076	0.5
263.11755	3.3
264.09003	0.3
264.12363	0.5
265.09503	0.3
265.13266	1.0
267.11218	0.5
268.13254	0.3
268.16946	0.4
269.12762	0.8
270.10904	0.3
270.14862	0.8
271.14386	0.5
272.16397	0.9
274.14709	0.4
274.17993	1.3
276.15952	1.4
276.19193	0.3
278.10483	0.7
279.11240	5.0
280.11743	0.3
281.12775	0.8
282.09949	0.3
282.14624	0.4
283.14529	0.3
284.12723	2.1
284.16330	0.6
285.12250	0.9
286.14319	1.8
286.18018	1.5
288.12418	0.4
288.15869	1.0
290.17450	0.8
291.11246	0.7
293.12817	0.9
295.10815	0.3
296.11545	1.7
296.16138	1.1
297.12292	6.9
297.15674	0.3
298.14783	1.6
299.13831	2.9
300.16016	0.5
302.13855	1.0
302.17459	1.1
304.15454	0.6
304.19067	0.7
306.17001	0.2
309.12299	8.1
310.13477	0.7
311.10458	0.4
311.13867	2.7
312.15948	2.1
313.15445	0.5
314.17471	3.6
316.15390	4.3
316.18716	0.4
318.16977	0.4
320.14877	2.1
321.12326	0.7
323.13623	0.3
325.11734	1.4
327.13358	0.3
328.15405	0.9
329.14902	0.4
330.16882	1.0
332.18570	3.1
334.16406	1.3
334.20044	0.4
337.11752	3.6
338.12286	0.4
339.13281	2.4
340.15546	1.4
343.12787	0.4
346.16339	0.3
350.19720	0.7
355.12598	0.4
357.14426	2.3
358.16559	1.7
360.98419	0.6
366.19125	0.4
369.14401	13.9
370.14786	1.1
371.15939	6.1
371.20300	0.4
372.16354	0.7
374.96194	0.3
376.17560	1.0
378.99719	0.6
394.18539	3.7
436.22351	1.8
450.20032	0.3
458.17017	0.3
462.20145	1.5
463.20868	0.3
464.00702	0.2
464.17938	0.5
475.35034	0.3
476.18109	0.4
477.36838	5.5
478.37225	0.4
480.21017	0.3
482.19101	0.8
494.19125	2.1
494.22723	1.2
495.23169	0.2
501.36411	0.3
505.02805	1.0
506.03247	0.2
514.21838	2.2
515.34344	0.2
526.21783	3.6
527.22736	0.3
541.36639	0.5
543.34418	0.5
553.36450	0.7
555.34399	0.6
571.37183	0.6
573.35260	0.9
615.36108	1.9
619.27747	1.4
633.37390	100.0
634.37775	3.6
651.38831	20.1
652.38873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01838	0.3
55.05499	1.9
56.05003	0.6
58.06595	2.7
67.05492	3.2
69.07062	1.7
70.06580	10.6
70.98640	0.8
71.04965	0.5
72.08124	0.6
79.05479	1.8
81.07043	7.0
82.06550	0.8
83.04935	0.4
83.08583	0.8
84.04485	0.5
84.08102	1.0
85.23876	0.3
91.05457	1.4
93.07034	1.7
95.08062	0.4
95.08590	5.0
96.08131	1.5
97.10099	0.4
98.09666	1.8
105.06974	1.0
107.08533	0.8
108.08064	0.7
109.06489	0.5
109.10141	1.5
110.09634	0.7
119.08539	0.8
120.08058	0.3
121.10087	0.8
122.09586	0.3
123.08016	0.8
123.11677	0.4
131.08502	0.5
132.08043	1.2
133.10069	0.4
134.05980	0.6
136.70264	0.3
137.13199	0.3
140.10663	0.6
144.08017	0.8
145.08925	0.4
145.09978	0.5
146.09633	0.5
147.11638	0.8
148.07498	0.7
154.12143	0.4
158.09607	0.6
160.07565	1.3
162.09077	0.5
164.03401	0.5
170.09685	0.3
173.08354	0.4
174.05461	0.7
174.09090	0.7
176.07031	0.9
178.04947	0.5
186.05536	0.3
188.06982	1.0
188.10515	0.4
194.19040	0.6
198.09253	0.5
200.14297	2.8
201.11430	0.4
202.08572	0.4
204.06520	0.5
212.14337	0.3
212.16383	0.5
216.13683	0.3
218.08191	0.3
220.16936	0.8
222.18494	22.1
223.18880	0.4
230.15431	1.0
234.14929	0.5
238.07019	1.2
238.18011	1.5
240.19547	73.3
241.19905	1.3
256.13254	2.3
258.14877	2.6
258.17551	0.4
258.20667	1.4
258.79333	0.3
260.16388	0.3
270.14819	0.5
272.16388	0.5
274.14438	0.4
274.17511	0.3
276.15799	0.3
284.12817	1.5
284.16080	0.4
286.14294	1.3
288.15982	0.6
296.16214	0.4
298.14063	1.4
302.13794	1.0
302.17078	0.3
304.15552	0.7
304.18909	0.4
304.63742	0.3
312.16016	0.7
314.17477	0.5
316.15433	2.3
320.14944	2.6
328.15466	0.5
330.16949	0.8
332.18573	0.5
334.16425	0.6
340.15390	0.5
346.16476	0.3
348.18015	0.4
358.16440	1.2
376.17688	1.7
394.18570	5.0
477.36728	0.9
555.34125	0.6
571.37036	0.5
573.35413	1.2
615.36676	1.4
633.37341	100.0
634.37677	5.6
651.38489	4.8
652.37750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05493	3.3
56.04985	0.4
57.03399	0.3
58.06567	0.8
59.04969	0.9
67.05489	2.9
68.04987	0.9
68.29744	0.3
69.07060	5.2
70.06584	5.8
70.70811	0.8
70.71220	0.6
74.72812	0.3
79.05479	3.7
80.04972	1.2
81.07050	3.1
82.06559	1.9
83.08593	0.6
84.04457	0.4
84.08094	1.3
85.02885	0.6
85.06566	0.3
86.09661	1.3
87.04431	0.4
89.06029	1.6
91.05474	2.3
93.05732	0.4
93.07032	3.1
94.06556	4.3
95.04931	0.7
95.07305	0.5
95.08606	1.9
96.08113	6.0
97.10086	0.8
98.06011	0.4
98.09691	0.5
98.21455	0.4
105.07007	2.1
106.06509	0.8
107.07323	3.5
107.08552	2.4
108.08096	8.1
109.06463	0.7
109.08860	1.3
109.10078	0.4
110.09678	2.0
117.06996	0.7
119.08540	1.1
120.08076	4.1
121.06456	0.8
121.08880	0.5
121.10087	1.0
122.09657	5.5
123.10419	1.0
124.11240	2.0
129.06953	0.5
129.10249	0.4
131.07294	0.6
131.08524	0.9
132.08028	2.2
133.08638	0.9
133.10127	0.7
134.05943	0.7
134.09613	2.2
135.11635	0.6
136.07562	0.8
136.11182	0.9
138.09100	0.5
143.08508	0.7
144.08035	2.4
145.08803	1.0
145.10060	0.9
146.09622	1.8
147.06764	0.3
147.10345	0.3
148.07533	1.3
148.11189	0.5
152.10641	0.4
157.08835	0.5
157.10036	0.6
158.09622	2.4
159.10378	1.1
159.11586	0.4
160.07587	2.0
160.11166	0.7
161.11819	0.3
162.09081	0.6
168.08022	0.5
170.09627	0.8
170.11815	0.6
172.07539	0.8
172.11250	0.7
173.08261	0.4
174.05484	1.0
174.09113	1.7
174.12752	0.4
176.07085	0.6
176.14308	0.9
182.09656	0.4
184.07487	0.5
185.11833	0.4
185.13338	0.7
186.05550	0.5
186.09103	1.1
188.07027	1.2
188.10597	0.3
188.14331	0.4
190.15945	1.9
192.13785	0.4
192.17438	1.5
196.11198	0.5
198.09041	0.6
200.06966	0.7
200.10591	0.3
200.14291	2.5
202.15802	2.2
204.06590	0.5
204.10164	0.4
210.12775	0.4
212.14354	0.5
214.08595	0.6
214.15913	0.7
216.10278	0.5
216.13820	0.5
218.08194	0.5
218.15364	9.8
220.16924	33.3
221.17271	1.2
222.14842	1.3
222.18573	1.1
224.14154	0.3
226.15886	0.5
230.15349	0.9
232.16995	0.4
234.14896	0.6
236.16429	6.1
238.17978	59.0
239.18355	1.7
240.13713	0.7
240.19550	4.5
241.20143	0.4
242.15361	1.2
248.16423	0.5
250.18001	0.5
256.13263	2.3
256.16602	0.4
256.19058	5.5
258.14795	2.6
260.16412	1.4
262.17990	0.7
268.13226	0.4
270.14886	0.8
272.16312	0.8
274.18011	0.5
276.15833	1.1
278.17667	0.4
282.14835	0.6
284.12787	1.5
284.16339	0.9
284.66000	0.4
286.14343	1.8
286.17929	1.1
288.16138	0.7
288.19528	0.5
290.17447	0.7
296.16342	1.4
298.14462	0.5
298.17807	0.6
300.15912	0.4
302.14035	0.6
302.17462	0.9
304.15414	0.9
304.18973	0.4
310.14487	0.6
312.15897	2.3
314.17496	2.6
316.15414	1.4
316.18863	0.4
320.14798	1.5
328.15558	0.6
330.16956	1.6
332.18372	2.0
334.16483	0.6
334.20212	0.6
340.15338	0.8
342.17130	0.4
358.16437	1.2
360.18112	0.6
376.17612	1.1
378.19070	1.1
394.18588	1.7
396.20096	0.6
475.35321	4.5
539.35364	0.4
551.34821	0.7
569.35883	0.4
603.08893	0.3
613.35095	1.1
613.47015	0.4
631.35779	100.0
632.36096	6.0
649.36853	40.0
650.37036	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	649.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
58.06558	0.5
67.05481	1.7
68.04988	0.7
69.07047	2.6
70.06583	3.2
70.49742	0.4
70.50154	0.6
72.08108	0.3
79.05151	0.2
79.05476	2.0
80.04978	0.6
81.07043	2.2
82.06551	1.2
83.04931	0.2
84.04472	0.6
84.08106	0.7
85.06506	0.3
86.09676	0.5
91.05447	1.1
93.05724	0.3
93.07019	2.3
94.06557	3.1
95.04943	0.3
95.07283	0.5
95.08588	1.3
96.08112	4.0
97.10161	0.6
97.39458	0.2
98.09650	0.3
105.06981	0.9
106.06549	0.3
106.42384	0.2
107.07319	1.8
107.08561	1.2
108.08099	5.9
109.08865	0.5
109.10110	0.4
110.09653	1.6
115.05596	0.2
115.40907	0.2
119.08528	0.9
120.08088	1.7
121.08822	0.4
121.10120	0.6
122.09652	3.1
123.10392	0.8
124.11201	1.5
131.08571	0.4
132.08075	0.6
133.10083	0.3
134.09616	0.6
135.11549	0.3
136.11186	0.6
143.08527	0.3
144.08058	0.3
145.10043	0.4
146.09613	0.4
148.11082	0.3
158.09637	0.3
160.07600	0.4
162.09048	0.4
163.11188	0.2
164.14297	0.3
170.11751	0.5
172.07608	0.2
174.12735	0.3
190.15868	0.5
192.13766	0.4
192.17432	0.9
202.15921	1.3
204.13745	0.3
212.94244	0.2
218.15324	2.2
220.16927	25.1
221.17233	0.5
222.14975	0.3
222.18471	2.9
228.28339	0.3
236.16438	2.0
238.17972	58.7
239.18344	1.3
240.19550	10.3
241.19875	0.3
247.67671	0.2
256.13309	0.4
256.19064	3.0
270.14877	0.3
290.17514	0.4
299.09055	0.3
304.15375	0.3
312.15851	0.3
320.14844	0.3
325.19318	0.3
394.18439	0.6
457.33844	0.3
475.35236	100.0
476.35593	4.2
488.59833	0.3
543.34143	0.4
571.33594	0.9
613.34332	0.3
631.35803	12.1
632.35785	0.6
649.37018	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	649.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.4
53.77961	0.3
53.87865	0.3
55.05501	3.3
55.61812	0.3
56.04995	0.4
58.06581	0.8
63.13160	0.3
67.05491	2.9
68.04984	1.2
69.07059	4.8
70.06580	3.0
71.86893	0.3
79.05481	3.7
80.04971	1.1
81.05763	0.8
81.06658	0.2
81.07046	3.1
82.06557	2.5
83.08577	0.8
84.08144	0.4
91.05464	2.4
93.05747	0.5
93.07029	3.0
94.06549	4.7
95.04918	0.5
95.07321	0.6
95.08609	1.9
96.08112	6.9
97.10123	0.8
98.09649	0.4
98.21478	0.8
105.07011	2.0
106.06483	0.5
107.07313	2.9
107.08563	1.8
108.08102	9.8
109.06536	0.6
109.08919	1.5
109.10155	0.4
110.09660	2.8
110.63292	0.3
117.06975	0.7
119.08523	1.2
120.08081	2.9
121.08858	0.9
121.10078	0.7
121.60953	0.3
122.08859	0.5
122.09654	6.1
123.10406	1.2
124.07573	0.3
124.11212	2.4
125.15269	0.3
129.06938	0.4
131.07294	0.4
131.08505	0.8
132.08028	1.1
134.05925	0.4
134.09668	1.4
135.10382	0.4
135.11638	0.5
136.07549	0.4
136.11159	0.9
138.12672	0.3
143.08543	0.7
144.08031	1.1
145.09993	0.6
146.09590	1.1
147.06744	0.6
147.10443	0.4
147.11630	0.4
148.07573	0.5
148.11159	0.5
150.09029	0.3
150.12732	0.5
152.10687	0.4
158.09659	0.7
159.11652	0.3
160.07533	1.7
160.11143	0.5
162.05379	0.3
162.09117	0.5
162.12759	0.3
164.14441	0.3
170.11723	0.7
172.07437	0.4
174.05421	0.7
174.09102	0.8
174.12706	0.4
176.06990	1.2
176.14297	0.7
178.05013	0.5
185.13362	0.4
186.05447	0.5
186.09081	0.6
188.07083	0.9
190.15799	0.5
192.17465	1.9
196.68465	0.3
200.07054	0.5
200.14326	3.4
202.15845	3.0
204.06511	0.4
204.13759	0.7
210.14903	0.4
212.14284	0.3
214.15895	0.4
216.13599	0.3
218.15356	3.4
220.16930	37.6
221.17152	1.1
222.14919	1.9
230.15363	1.4
234.14821	0.4
236.16364	2.9
238.17979	65.8
239.18411	1.7
240.19598	1.7
242.15329	0.5
246.14911	0.5
256.13318	3.4
256.15686	0.4
256.16199	0.3
256.19058	5.9
258.14877	2.5
260.16397	1.1
272.16553	0.5
274.14313	0.5
276.15884	0.7
284.12851	2.0
286.14340	1.9
286.17679	0.4
288.16055	0.4
290.17401	0.4
298.14334	0.7
300.15814	0.6
302.13867	1.1
302.17239	0.6
304.15375	0.6
312.15903	0.6
314.17542	0.7
316.15530	1.4
316.18747	0.4
320.14868	2.6
328.15448	0.5
332.18408	0.5
334.16354	0.5
340.15491	0.4
358.16553	1.7
376.17493	2.3
394.18509	4.7
442.80768	0.4
471.32327	0.3
475.35504	2.2
528.18567	0.4
535.31525	0.4
553.32422	0.7
569.35699	0.5
571.33655	1.0
613.34692	0.8
614.33167	0.5
631.35797	100.0
632.36011	7.0
649.26001	0.6
649.36847	12.4
650.37250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.7
57.03424	0.4
59.04977	1.2
67.05498	3.4
68.05025	0.4
69.03429	1.1
69.07050	3.1
70.06588	7.3
70.32622	1.1
70.33015	1.0
71.04962	0.9
72.08127	1.5
75.45625	0.4
79.05488	2.5
80.40181	0.5
81.07056	3.5
82.06562	0.9
83.04950	1.0
84.04476	1.2
84.08137	2.4
85.02891	1.9
85.06538	0.7
86.09690	4.6
87.04420	0.5
89.06021	0.6
91.05463	2.6
92.04990	0.5
93.07019	2.3
94.06558	2.3
95.04955	1.6
95.08614	2.8
96.08103	1.8
97.06480	0.5
97.10144	0.9
98.45737	0.5
99.04462	0.6
105.07019	2.0
107.07322	0.9
107.08574	2.1
108.08117	4.9
109.06506	0.9
109.10113	1.6
110.07110	0.9
110.09669	1.4
119.08548	1.6
120.08078	4.3
121.08838	0.5
121.10108	1.4
122.06007	0.7
122.06917	0.4
122.09631	2.7
124.07608	0.4
124.11201	0.6
125.09594	0.6
127.03891	0.7
129.10225	1.0
131.08604	0.7
132.08102	0.7
133.08646	0.6
133.10091	1.2
134.09601	0.9
135.08047	0.9
135.11671	0.6
136.07571	2.5
136.11182	0.5
137.05949	0.9
138.05475	4.7
138.09076	1.8
143.08580	0.6
145.04898	0.8
145.10112	1.0
146.06004	0.8
147.11670	0.7
148.07549	1.0
152.07063	0.5
156.98822	0.4
157.09981	0.6
159.11560	0.5
160.07594	1.1
160.11140	0.8
161.13196	0.6
162.09135	4.0
164.07082	1.5
165.09091	0.5
166.04968	2.6
166.08658	0.9
173.70546	0.5
174.09076	0.8
180.10188	4.9
185.13210	0.4
188.07196	0.5
199.12337	1.6
206.08084	0.8
213.10287	3.1
213.13795	2.5
218.15369	1.0
220.16917	13.3
222.14787	0.5
222.18442	1.7
224.10628	1.2
225.10124	1.0
226.10982	1.1
227.11774	1.9
236.16438	1.0
238.17976	25.2
238.68184	0.7
239.11829	2.8
239.18680	1.7
240.12354	1.0
240.19566	5.3
241.13255	1.1
243.11346	0.5
253.09637	1.0
253.13373	0.5
255.11276	0.9
256.19101	1.6
265.13388	0.8
266.11823	3.1
267.11212	3.5
269.09406	0.6
269.12817	1.4
272.11490	0.6
273.12332	1.5
281.12796	2.8
283.10770	0.7
284.12872	2.3
285.12204	2.8
287.13834	1.3
299.13898	1.7
301.11389	0.5
309.12360	0.9
313.11917	1.0
317.14954	4.6
327.13242	2.4
342.90823	0.6
345.14413	100.0
346.14798	5.9
373.14014	1.3
475.35263	29.2
476.35413	0.7
477.36478	0.9
569.35474	1.4
589.34583	3.0
599.24701	0.6
613.26013	1.4
631.26849	2.6
631.35913	11.7
649.26263	2.5
649.37677	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	647.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.0
55.05495	5.3
55.96808	0.9
56.05024	3.6
58.06603	1.0
60.04510	2.7
62.05970	1.0
67.05483	5.9
67.17049	0.8
68.05007	1.5
69.03407	0.9
69.07063	4.9
69.73238	4.8
69.73647	1.9
70.06584	45.6
71.04984	2.0
71.06902	2.2
71.54756	0.9
72.08144	16.4
74.06059	3.0
79.05480	7.3
81.03405	1.0
81.07039	4.0
82.06562	1.5
83.06126	1.1
84.04495	7.5
84.08130	19.1
85.02892	3.7
85.31749	1.0
86.09694	32.3
87.05595	2.2
87.10042	3.2
88.03992	2.2
89.06016	1.3
91.05457	5.1
93.07020	4.6
94.06548	4.1
95.08600	3.8
96.08144	5.3
96.52652	1.0
97.10141	1.1
98.06059	1.6
98.21584	1.7
100.02248	0.9
101.07141	3.2
102.05531	3.1
103.05399	1.7
104.05334	3.1
105.07031	3.8
106.06574	1.1
107.07351	2.9
107.08605	2.9
108.08096	11.3
109.08858	2.0
110.07131	4.5
110.09700	2.9
113.07056	2.0
115.05080	1.3
117.05705	1.2
118.64037	1.1
119.04906	1.3
119.08568	1.7
120.08069	13.2
120.08827	1.2
121.10158	1.9
122.09680	7.2
124.11230	1.7
127.03907	1.8
127.08723	2.4
129.10211	8.0
131.04895	1.3
131.08553	1.3
132.08057	2.3
134.09619	2.9
135.11623	1.0
136.07539	7.1
137.09663	1.5
138.09119	1.9
141.06657	2.1
143.11801	2.3
144.08102	2.0
145.09871	1.7
146.06143	1.1
146.09601	1.5
147.04433	1.4
147.11720	1.6
148.07628	2.0
148.11172	1.0
155.08221	1.1
158.09621	1.2
159.09137	2.2
160.07661	2.0
162.02158	1.3
162.09174	3.2
164.07133	1.9
165.07826	1.2
167.08208	1.3
168.06593	0.9
169.13446	1.7
170.11717	1.5
173.09320	1.3
173.12895	3.9
174.05734	1.9
174.13043	1.2
175.10748	1.2
178.08635	1.2
182.08157	1.7
183.11293	1.8
187.10858	1.1
187.14604	1.4
190.15927	2.0
201.12413	3.1
202.15965	3.0
204.13791	1.5
205.09610	1.1
218.15382	5.9
220.16922	28.2
222.14943	1.2
222.18602	2.9
230.15416	2.9
234.14969	1.4
236.16383	7.1
238.17989	46.3
239.18781	14.1
239.68907	6.4
240.13686	1.5
240.19530	9.4
241.19902	2.2
244.13977	1.1
247.18556	3.5
248.16525	3.0
248.19016	1.0
250.17957	2.2
252.19661	1.6
254.17491	2.3
256.18994	4.9
258.14835	6.8
260.16669	2.1
276.15863	6.0
283.17764	1.0
289.08405	1.2
294.16949	4.6
296.18677	4.0
304.17438	1.1
320.16016	2.9
387.20630	1.2
394.18375	1.3
410.17877	1.3
412.19635	2.4
475.35471	2.2
477.36896	5.3
478.37302	1.4
513.33032	5.9
531.34564	4.7
586.57751	1.3
603.40271	1.8
629.34607	1.6
630.04034	1.1
647.35291	100.0
648.35516	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	645.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62216	2.4
55.05499	16.2
56.05841	3.3
57.07074	7.2
61.48821	2.5
67.05490	7.9
69.03417	5.9
69.07051	23.6
70.06588	36.5
71.04977	3.6
71.08612	3.0
71.75436	4.3
72.08140	6.6
79.05482	6.4
81.03422	4.7
81.07054	12.4
83.04971	3.4
83.08612	28.5
84.04483	4.3
84.08131	12.4
84.08952	8.0
85.02911	9.3
85.06557	5.1
86.09690	21.4
87.00807	3.7
89.06011	2.9
91.05478	9.2
93.07055	6.3
93.72460	2.9
94.06558	6.8
95.04964	2.7
95.08610	11.6
97.02870	5.3
97.10167	9.6
99.08150	3.1
103.03954	7.8
105.01842	2.9
105.07052	5.6
106.06581	4.6
107.07340	4.2
107.08595	7.0
108.08130	18.1
109.10163	9.5
110.07176	7.3
117.06918	2.8
119.08565	4.9
120.08086	20.9
121.06481	3.5
121.10116	4.0
122.06029	6.3
122.09664	53.3
123.08047	2.9
123.11670	6.2
127.03888	6.7
129.10236	6.9
129.36644	2.7
130.06506	3.5
131.08492	3.8
132.08128	3.3
133.10095	6.7
134.05966	8.1
135.11661	3.3
136.07547	20.3
138.09123	5.4
145.04929	3.3
145.10117	5.0
146.06058	13.0
147.06538	3.9
148.07564	10.1
150.09143	4.5
151.07523	5.3
152.07056	38.0
163.11104	3.1
164.07076	16.4
164.62389	3.1
165.07646	5.0
166.08661	13.1
172.03964	7.7
176.07126	5.0
189.12733	2.9
190.04984	5.7
197.19054	2.9
198.80602	3.0
204.06604	9.4
209.10747	2.9
210.11514	28.3
211.12320	3.9
213.16238	3.2
218.08153	4.6
220.16924	5.0
223.11850	6.3
225.10167	9.3
227.11862	5.1
237.10295	11.7
238.11015	13.2
238.17975	9.5
239.11765	11.7
239.18747	6.3
240.19591	9.5
241.09549	3.5
241.13301	2.7
248.09264	2.9
249.10220	7.7
250.10953	5.4
251.11880	12.3
252.12508	4.9
253.13251	5.3
255.11316	6.3
262.11041	3.6
263.11774	14.2
265.09708	7.4
265.13254	6.6
267.11234	15.6
269.12820	21.9
271.14331	4.3
279.11243	46.9
281.12772	6.5
282.13571	8.8
283.14456	5.0
284.11523	4.5
285.12338	12.0
285.15573	2.8
291.11331	3.5
293.09171	7.6
293.12537	5.4
295.10815	3.2
296.11542	4.4
297.12320	72.0
298.13019	2.9
299.10303	3.7
299.13861	4.2
302.70230	3.4
307.10382	3.5
309.12283	39.9
310.13071	13.4
311.13571	3.2
319.10721	3.7
321.12354	13.4
323.10190	5.7
325.11835	7.6
337.11816	17.0
338.12512	5.9
339.13358	21.8
358.15659	4.3
361.25912	8.7
362.25958	14.3
369.14398	46.7
370.15125	5.5
371.15973	17.9
372.20825	6.5
380.27072	6.2
392.19635	4.2
392.24213	3.1
405.20386	10.0
406.21243	9.6
414.18268	3.3
416.19522	8.4
430.17569	3.3
432.19174	13.6
433.19699	3.5
442.17776	5.3
448.18396	5.4
460.18665	100.0
461.18643	4.8
480.21262	5.1
492.14258	5.5
492.21222	72.5
551.26514	6.8
569.27490	23.3
595.24475	4.9
613.26477	25.8
627.37341	2.9
645.27582	15.0
645.38641	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	644.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
57.07067	93.4
59.04989	14.3
67.05482	1.1
69.07043	1.6
70.86661	1.3
70.87048	2.0
71.08620	65.9
73.06547	5.0
76.73626	0.7
81.07039	1.4
83.08606	1.4
85.10169	54.7
87.04456	14.0
89.06017	100.0
91.07599	1.0
92.12494	0.6
93.07007	0.8
95.08570	0.9
97.10154	1.6
99.11722	7.3
100.08583	0.7
103.07576	6.7
104.09623	0.7
107.07053	5.2
113.13266	2.8
117.09124	3.6
130.08620	4.5
131.07033	6.2
133.08583	88.1
141.16394	0.9
155.17941	6.6
161.09612	0.8
161.11734	1.3
175.09705	5.2
177.11192	41.4
179.12791	0.8
195.12270	1.0
211.87433	0.7
213.22115	7.4
219.12311	2.1
221.13815	7.7
238.17897	1.0
239.14850	4.4
257.24722	7.7
265.16605	1.6
283.17471	4.0
309.19095	1.7
327.20142	3.6
353.21942	1.5
371.22842	5.2
397.24396	1.6
400.03073	0.8
415.25305	22.5
455.28467	4.5
459.28122	3.1
473.29581	1.1
599.99860	0.9
627.46661	4.5
644.49384	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	644.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
57.07067	100.0
58.84806	0.8
59.04993	34.4
68.29927	0.8
69.07043	2.0
70.06566	0.9
71.08623	97.5
71.37671	1.8
73.06538	2.9
77.06037	1.1
81.71904	0.8
83.08598	2.6
85.10170	90.7
87.04453	10.3
87.08078	1.6
89.06021	82.2
97.10194	1.8
99.11711	10.9
101.09650	3.0
107.07046	4.6
111.11704	1.1
117.09116	5.9
125.13179	1.2
130.08623	4.3
131.07059	4.9
133.08588	62.4
141.16367	11.9
153.97168	0.9
175.09599	4.9
177.11197	27.0
195.12239	1.0
199.20541	27.6
208.49522	1.0
215.53816	0.8
219.12184	1.1
221.13878	5.0
239.14931	1.8
240.23213	3.7
257.24753	13.4
265.16406	1.4
283.17462	4.1
304.40268	0.9
327.19980	3.2
353.21634	1.5
371.22711	23.8
372.22583	1.2
411.25772	3.2
415.25537	1.5
429.27005	4.4
459.27951	2.7
469.30359	1.3
557.86957	1.1
597.96094	1.0
627.46411	3.1
635.54352	1.1
637.15088	1.2
638.07422	0.9
644.40826	1.0
644.49353	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	644.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05507	3.6
56.05008	1.0
57.03426	0.6
58.06595	4.5
59.04985	0.5
65.03933	2.0
67.05499	7.0
69.07058	2.6
70.06581	23.1
71.04961	0.8
71.28173	0.5
71.28501	0.9
72.08105	1.2
75.37418	0.4
76.27502	0.4
79.05475	3.5
81.07046	9.3
82.06533	1.5
83.04972	0.5
83.08605	2.1
84.04472	0.6
84.08099	1.7
84.08533	0.4
85.06514	0.8
86.09650	1.1
87.67282	0.3
91.05466	41.7
92.05780	0.8
93.07031	3.0
95.04977	2.1
95.08044	0.6
95.08593	7.8
96.08111	3.0
97.06525	0.7
97.10168	2.3
98.09659	2.2
100.68056	0.4
105.07011	2.4
107.08572	3.6
108.08053	1.2
109.06483	1.4
109.10123	2.0
110.09644	0.9
111.08067	0.5
111.09148	0.5
112.02142	1.1
117.06925	0.5
119.08517	1.3
120.08015	0.7
121.10098	1.5
122.09618	0.7
123.08054	1.1
123.11712	0.6
124.11104	0.5
125.09624	2.1
131.08534	0.7
133.10095	0.5
135.07983	0.7
135.11673	0.9
140.10672	0.6
143.08542	0.5
145.10088	0.8
147.11656	0.6
153.12624	0.5
154.12212	0.7
158.14903	0.4
159.11609	0.7
163.11171	0.6
167.06403	0.7
185.13307	0.5
189.11224	2.1
194.15324	0.5
194.18945	0.7
203.14337	0.5
220.16920	3.1
221.15347	3.8
222.18500	38.6
223.18852	1.1
237.12993	0.5
238.17972	6.7
239.11674	0.4
239.16350	0.7
240.19551	55.7
241.19971	2.2
247.18048	0.7
255.14050	1.1
256.16711	0.6
256.19275	4.6
258.20724	0.8
329.25879	0.7
330.23755	0.5
371.23221	1.2
389.24197	0.9
405.22009	21.1
406.22321	1.5
432.69418	0.5
477.36859	10.4
477.43378	0.7
478.35236	4.6
495.37827	8.4
537.33563	3.7
610.42029	10.7
611.42542	1.1
644.40833	100.0
645.41107	9.1
664.39551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64271	0.5
53.03935	2.6
55.01867	1.8
55.05507	39.9
57.03426	2.5
57.07069	20.4
59.04993	15.6
60.22545	0.5
60.73209	0.5
60.87011	0.5
61.02888	0.7
66.92077	0.6
67.05495	5.1
69.03423	7.0
69.07059	47.2
70.06586	4.2
71.04985	3.5
71.08625	4.9
72.08150	0.8
73.02913	1.5
79.05486	1.2
81.03409	7.4
81.07049	14.1
83.04961	1.2
83.08609	100.0
84.04503	1.0
84.08144	1.1
84.08918	0.6
85.02891	17.3
85.06549	1.7
85.10182	0.8
86.09705	2.0
87.00819	6.4
87.04453	1.1
89.06023	13.7
89.06546	1.1
91.05461	1.2
93.07077	0.8
94.06598	0.6
95.04973	0.8
95.08598	8.8
97.02873	5.5
97.10159	41.8
98.21547	1.0
99.04443	2.2
99.08098	1.9
103.03948	1.0
103.07570	1.8
105.01849	5.2
105.07037	0.9
107.07073	3.9
107.08580	0.7
108.08106	0.6
109.02876	6.7
109.06485	0.7
109.10143	7.0
110.07113	0.5
111.04417	1.2
111.11718	4.4
113.09618	0.7
117.09116	3.9
119.08597	0.9
120.08102	1.5
123.11703	4.5
125.13243	3.5
127.03915	8.5
129.01857	1.1
129.10220	1.0
131.10678	0.5
133.08592	5.0
135.10165	0.6
136.07570	0.9
137.13240	2.3
139.14799	4.8
145.04948	2.2
147.10146	6.4
147.11324	0.8
149.09642	0.6
151.09633	2.6
157.15903	1.7
159.02895	2.4
161.11714	0.6
165.11172	4.1
172.03851	0.8
179.17961	2.8
191.12778	1.9
193.19620	0.6
197.18988	3.7
201.18565	1.9
204.06586	0.7
205.14261	3.1
211.20601	1.9
213.03987	0.9
215.20064	4.4
220.17087	0.7
223.15388	4.9
225.10117	0.6
231.04968	2.0
238.18088	1.2
240.19562	0.9
249.05925	0.7
255.23143	4.1
273.24249	1.4
283.10864	1.1
285.12350	0.7
289.09247	1.4
297.12424	0.7
356.16153	0.6
361.29443	91.2
362.29779	2.5
379.30515	40.2
380.30807	1.4
425.95020	0.7
503.20313	0.6
612.21350	0.8
644.25220	1.1
645.26758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05495	1.7
56.05016	0.4
57.07073	0.6
58.97979	0.3
65.03934	4.0
67.05488	1.0
69.03386	0.4
69.07063	3.8
70.06580	4.5
71.04962	0.4
71.75414	0.5
72.08132	0.7
73.80114	0.4
79.05473	2.2
80.04988	0.4
81.03403	0.5
81.07030	1.1
82.06560	0.6
83.08605	1.4
84.04489	0.7
84.08133	1.2
85.02881	0.9
85.06481	0.4
86.09694	4.4
89.06021	1.6
91.05462	1.7
92.04999	3.3
93.07021	1.6
94.06548	6.4
95.04952	1.1
95.08569	0.9
96.08108	0.5
105.06999	0.8
106.05950	0.5
106.06520	2.8
107.04951	0.4
107.08549	0.6
108.04470	2.6
108.08108	1.7
109.06540	0.5
109.10105	0.5
110.06074	0.6
110.81815	0.4
115.05452	0.4
116.04982	0.4
118.06528	0.8
120.04494	0.9
120.08081	3.0
122.06019	2.5
122.09630	0.5
123.04356	0.4
123.08081	0.5
124.07587	0.5
129.06956	0.4
129.10225	1.0
131.04884	0.5
133.06512	0.5
133.08566	1.0
134.06004	7.8
136.03925	1.2
136.07558	7.9
138.05484	20.6
138.09108	8.0
144.08113	0.5
145.05020	0.4
146.06013	2.2
148.07587	0.6
150.05515	0.6
150.09114	0.7
152.07077	0.5
154.06523	0.5
156.08124	0.8
157.08876	0.6
157.10104	0.9
159.09250	0.6
159.11703	0.6
162.05486	38.0
163.04944	2.3
164.07097	2.1
165.09071	0.4
166.04979	12.0
167.07088	1.0
167.08472	0.5
167.27908	0.4
168.06744	0.4
169.07542	0.5
169.08777	1.0
170.09595	0.6
171.10458	0.6
172.11197	0.6
173.10757	0.5
174.09175	0.7
177.11275	0.5
178.04901	2.0
180.06572	1.6
180.07996	0.5
181.04958	1.0
181.08958	0.7
182.08342	1.0
182.09747	0.8
183.09201	2.7
184.07637	0.7
184.09885	1.3
184.11304	2.1
185.10803	2.0
186.09143	0.6
186.11392	0.6
186.12820	1.3
187.08643	0.5
187.11099	1.0
190.04916	0.5
191.07114	0.5
194.09692	0.6
195.09135	0.6
195.12224	0.8
196.09859	2.2
197.08324	0.6
197.10738	2.8
198.09140	1.5
198.11621	0.6
199.08676	1.3
200.09256	0.9
200.10840	0.8
201.10263	1.7
201.13904	1.3
202.12303	0.8
208.06082	1.1
209.10695	5.5
210.11482	5.2
211.08702	3.0
211.12256	4.6
212.10864	5.0
213.10190	4.3
213.13896	2.3
214.12508	3.9
215.11801	1.4
217.13367	0.6
220.16946	0.5
223.08774	0.9
224.09274	1.1
225.08067	0.5
225.10178	11.9
226.08693	1.1
226.10927	1.1
227.11816	1.1
228.08934	1.7
229.09723	2.4
229.13329	5.9
230.11778	6.1
230.13838	0.5
232.13309	0.5
237.10173	1.9
238.10921	2.5
238.17992	1.2
239.08104	1.8
239.11758	4.2
239.18817	0.7
240.10364	2.5
240.19624	0.5
241.09419	2.3
241.13406	1.4
242.11919	4.7
243.11266	11.1
244.09686	1.8
244.11957	0.5
245.12904	1.8
250.07365	0.5
251.08153	1.4
252.12480	0.4
253.09654	2.7
253.13496	0.5
254.10452	0.9
255.11243	4.3
256.08444	0.6
257.09250	3.8
257.12872	20.5
259.12033	0.5
259.14371	2.3
265.09668	1.0
266.10507	0.5
267.07703	4.8
267.10895	3.4
268.09659	0.9
269.12674	1.9
271.10751	9.4
271.13974	0.8
272.11520	32.6
273.12296	5.1
274.09470	0.7
275.13950	1.2
279.07657	0.9
279.11423	0.5
281.09219	1.9
283.10776	1.3
283.14429	1.6
284.11621	1.1
285.12305	43.1
286.12714	0.9
287.13968	0.4
293.09198	0.7
294.06662	0.6
294.09937	2.7
295.10794	1.2
297.08981	0.8
297.12274	6.0
299.10242	9.6
301.11801	1.3
303.13345	45.5
304.13834	1.3
307.07135	2.3
311.10147	0.7
313.11737	6.6
315.09772	0.5
315.13394	1.3
321.08890	0.7
323.10303	1.1
325.11716	0.6
326.09024	1.5
331.13104	0.6
339.09717	13.4
341.11407	2.9
353.11237	0.9
359.12473	0.9
367.09140	2.7
373.14038	0.5
374.15170	0.5
377.29071	2.1
378.18069	0.7
385.10260	9.6
392.15927	0.7
420.19034	3.0
434.17142	6.1
438.20203	11.0
464.17276	0.5
529.24396	1.2
557.24023	1.5
571.25287	4.8
581.23840	8.2
593.23395	0.5
599.24921	100.0
600.25159	2.8
611.24847	2.5
625.22833	12.2
626.22778	0.9
643.26526	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	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01416	0.2
62.48394	0.2
66.83792	0.2
67.05468	0.2
69.68376	2.1
79.05426	0.2
79.57812	0.2
81.07040	0.3
90.19344	0.2
91.05436	0.3
95.08536	0.3
98.20733	0.4
124.73486	0.2
200.93112	0.2
324.98810	0.2
336.81992	0.2
387.64673	0.2
395.12177	0.2
396.12317	0.4
397.12802	1.3
398.13879	0.4
409.13406	0.3
410.13898	1.6
411.14465	3.3
412.15219	2.5
413.16071	1.0
423.14587	1.1
424.11316	1.0
424.15442	1.1
424.20667	0.3
425.16238	6.2
426.16891	4.6
427.17285	0.9
427.72461	0.3
428.18369	0.8
437.15967	0.9
438.12061	1.8
438.17877	0.6
439.13199	5.7
439.18930	0.6
440.19125	2.5
441.19254	21.6
442.19656	2.5
450.13019	0.3
451.13287	0.5
451.18146	0.3
452.13934	2.0
453.15149	8.1
454.15961	2.4
456.17789	0.4
457.15152	0.5
458.15277	0.4
463.13947	0.5
465.15231	0.4
466.12054	0.5
467.17120	16.7
468.17834	7.5
469.18756	10.7
470.18619	0.8
472.17838	0.3
480.17505	0.3
481.14783	11.2
482.15463	2.4
482.21619	0.3
485.18311	0.7
487.20062	0.3
494.18475	0.5
495.15823	2.6
496.17133	13.8
497.17722	2.5
498.18381	0.4
499.16019	0.5
508.19366	0.8
509.18320	1.1
510.19400	0.4
512.20599	0.7
514.22247	0.6
522.17664	1.2
523.19586	1.0
527.23157	1.4
537.19574	0.8
541.21667	0.3
542.21472	1.1
545.23834	0.3
551.19159	0.4
555.22382	16.0
556.22632	1.3
568.19324	0.7
583.21844	100.0
584.22119	6.3
587.24658	0.8
611.20935	1.5
614.23590	0.3
615.24518	7.1
625.29431	0.5
625.93030	0.3
642.40637	0.3
643.23737	32.8
644.23901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46679	0.2
57.64846	0.2
64.47263	0.2
69.89126	0.5
69.89536	1.1
82.00224	0.2
85.37973	0.2
86.39346	0.2
88.01645	0.2
89.18340	0.2
102.67767	0.2
105.10039	0.3
105.93238	0.2
116.47640	0.2
122.05484	0.2
170.09299	0.3
198.12083	0.2
290.33224	0.2
310.98441	0.2
395.11539	0.4
396.12341	0.8
397.12790	1.8
398.13806	0.6
399.14642	0.5
409.13266	0.6
410.13705	2.4
411.14426	5.6
412.15216	3.7
413.16071	2.2
423.15033	1.7
424.11261	1.0
424.16177	2.2
425.16150	12.7
426.11230	0.5
426.16843	8.9
427.17508	2.2
428.18649	1.9
436.15286	0.4
437.16202	0.8
438.13116	2.7
438.17575	1.1
439.13492	14.5
440.13870	1.5
440.19336	4.1
441.19238	39.1
442.13275	0.4
442.19568	3.1
444.17990	0.3
451.13507	0.4
452.14151	3.6
453.15237	17.5
454.15961	5.7
455.16837	0.9
456.13885	0.3
457.15033	1.0
458.15405	0.5
459.20367	0.5
463.14056	0.9
465.15344	0.8
466.11853	0.5
466.16785	0.4
467.17111	25.4
468.17770	16.6
469.18704	13.2
470.19818	1.1
471.16571	0.6
472.17349	0.5
477.15610	0.3
479.17130	0.4
480.17917	1.2
481.14651	12.9
482.15094	3.1
483.16275	0.8
484.17606	0.3
485.18118	1.0
486.18607	0.7
493.15231	0.3
494.17676	0.7
495.16910	2.8
496.17102	13.6
497.17709	3.3
498.18378	0.9
499.19534	1.3
508.19803	0.9
509.18155	2.5
510.20178	0.4
511.18964	0.4
512.21210	1.2
513.21429	0.5
514.22522	3.2
515.22974	0.3
522.17615	0.8
523.19690	2.3
524.19696	0.4
527.23560	2.8
528.23694	0.3
537.18896	0.9
539.19122	0.4
540.20068	0.5
541.20538	0.4
542.21692	1.0
545.23615	0.4
551.19574	0.4
555.22327	31.3
556.22626	3.0
557.70129	0.3
568.19519	0.6
583.21814	100.0
584.22101	10.3
586.20551	0.5
587.25214	1.8
611.21259	2.0
614.23706	0.7
615.24414	14.1
616.24438	1.1
643.23865	82.4
644.24066	8.6
657.64685	0.3
667.58673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01847	0.3
55.05497	1.4
55.38144	0.3
56.04997	0.8
58.06567	1.1
65.03925	1.3
66.09340	0.3
67.05494	6.0
69.07034	1.1
69.41788	0.4
69.42145	3.3
70.06584	4.6
72.08102	0.4
79.05475	3.0
80.04978	1.8
81.06624	0.3
81.07035	4.3
82.06555	1.5
83.08588	1.0
84.04490	0.4
84.08129	1.3
91.05464	13.5
93.05770	0.8
93.07027	1.9
94.06540	2.2
94.70757	0.3
95.04888	0.5
95.08590	3.6
96.08137	1.4
97.10123	0.6
98.09637	0.9
105.06985	0.9
106.06529	2.1
107.07329	2.5
107.08556	1.8
108.08079	1.7
109.08866	0.3
109.10109	0.9
110.09631	0.4
119.08620	0.3
120.08074	2.1
121.08858	0.3
121.10161	0.5
122.09646	0.5
123.11681	0.3
124.11208	3.1
131.08516	0.6
132.08026	0.5
133.10115	0.4
134.09608	0.9
146.09575	0.3
148.11169	0.5
152.14252	0.3
162.12817	0.4
170.11743	2.7
174.12698	0.4
180.13834	0.4
187.14781	0.3
188.14409	0.4
190.15881	2.8
192.13820	0.6
200.14249	0.4
204.13751	0.3
206.15439	1.8
208.16867	1.6
218.15370	10.2
220.16939	0.6
222.14963	0.7
222.18495	10.4
224.16411	1.0
226.18048	0.7
231.59947	0.3
236.16418	10.5
236.18817	0.6
237.16878	0.3
238.17998	1.8
240.19543	39.5
241.19807	0.9
252.15953	0.5
254.17468	30.1
255.17917	0.6
256.19113	0.5
258.09506	0.3
258.20474	0.3
260.95300	0.3
272.18445	1.9
343.61151	0.3
349.15433	0.3
473.39005	0.4
475.35364	2.3
491.34842	0.6
493.36282	100.0
494.36520	3.9
509.34042	0.4
535.31885	0.7
608.40424	4.6
624.37695	0.6
642.39313	5.2
642.50677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01861	0.4
55.05496	2.5
56.05018	1.1
57.03430	0.3
57.07069	0.2
57.40228	0.2
58.06590	1.4
65.03928	1.6
67.05495	5.9
68.05013	0.9
69.07069	1.7
70.06581	6.6
71.74620	0.3
72.08141	0.4
74.06091	0.3
79.05484	3.3
80.05013	2.9
81.07048	5.8
82.06562	1.8
83.04958	0.5
83.08595	1.5
84.04491	0.6
84.08124	2.1
85.06541	0.3
85.40225	0.2
86.00654	0.2
86.06065	0.8
86.09712	0.4
91.05466	37.3
92.05776	0.3
93.07017	2.9
94.06544	2.8
95.04972	0.7
95.08591	5.0
96.08118	2.6
97.06503	0.5
97.08896	0.2
97.10156	1.7
98.06046	0.4
98.09688	0.6
105.06377	0.3
105.06999	1.6
106.06544	1.8
107.07358	1.5
107.08566	2.4
108.08098	2.1
109.06506	0.5
109.10152	1.3
110.06024	0.3
110.09670	1.4
112.07611	0.5
117.06996	0.5
119.08576	1.1
120.08083	2.9
121.06492	0.2
121.08855	0.4
121.10133	1.0
122.09604	0.3
123.08018	0.4
123.11671	0.4
124.11213	1.5
124.86850	0.2
125.08353	0.7
125.09624	0.7
126.09129	0.6
127.97911	0.2
131.08571	0.9
132.08057	0.3
133.10126	0.6
134.09644	0.8
135.08076	0.3
135.11690	0.9
136.07555	0.4
136.11156	0.4
138.09132	0.5
138.12740	0.3
141.07039	0.3
145.04338	0.3
145.10103	0.8
146.09700	0.5
147.11635	0.3
148.11150	0.3
152.14336	0.5
162.12755	0.3
163.11214	0.4
170.11758	1.1
173.13231	0.5
174.12723	0.5
180.13855	0.9
180.17401	0.4
184.13358	0.5
187.14922	0.5
188.14294	0.5
190.15900	1.7
192.13841	1.4
194.15327	0.4
194.19124	0.4
198.14899	0.7
200.14400	0.4
204.13814	0.3
206.15408	1.0
208.16919	1.6
210.14865	0.9
218.15349	5.8
219.18585	0.8
220.16971	1.7
221.20209	0.8
222.18497	22.8
223.18811	0.4
224.20177	0.3
226.18047	0.5
234.14848	1.3
236.16412	11.4
237.16838	0.3
238.18008	2.3
239.21181	1.6
240.19547	19.8
241.20024	0.3
242.21062	0.4
247.18163	1.6
252.15993	1.0
254.17465	10.3
256.09128	0.3
256.19104	1.1
262.22446	0.2
265.19232	0.7
270.95798	0.3
272.18518	11.3
281.18607	0.2
282.15219	0.5
283.10867	0.3
289.38754	0.3
326.20917	0.6
353.29138	0.3
383.53333	0.3
390.27365	0.5
405.35938	0.3
423.66119	0.2
425.29819	0.3
457.34073	0.3
473.33621	0.5
475.35263	6.2
476.34589	0.6
477.36453	0.4
491.34671	2.2
493.36288	100.0
494.36694	2.6
498.33435	0.5
500.34744	0.8
516.34314	1.1
517.52789	0.3
535.31970	3.2
590.39362	0.8
608.40509	25.9
609.40820	0.8
624.28204	0.3
624.37805	1.5
641.52679	0.3
642.39264	33.0
643.39587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.8
58.06590	1.4
62.08372	0.6
65.03930	1.4
67.05489	3.8
68.05017	1.2
69.03435	0.6
69.07068	4.5
70.06586	12.6
71.32633	1.3
79.05479	5.2
80.05006	0.8
81.07053	4.5
82.06569	1.4
83.08601	2.3
84.08112	1.4
84.61774	0.6
85.06551	0.6
86.09693	1.5
91.05471	35.9
93.07028	4.4
94.06564	5.1
95.04945	1.8
95.08607	2.4
96.08131	5.4
97.10153	2.6
98.09725	0.7
105.07027	2.6
106.06554	0.9
107.07339	2.4
107.08588	4.3
108.08095	8.8
109.08929	1.0
109.10165	1.4
110.09671	1.7
112.02182	2.2
117.06991	0.7
119.08585	1.4
120.08111	3.2
121.10148	1.5
122.09647	5.6
123.08010	0.9
123.10396	0.9
124.11210	1.8
125.04202	0.6
125.09631	1.0
131.08591	0.9
133.10141	1.3
134.09619	0.9
135.11694	0.7
136.07585	1.6
136.11157	0.7
141.09265	0.7
143.08513	0.7
145.10112	1.0
161.13298	0.7
164.07065	1.2
170.11749	0.8
175.14867	0.8
189.11203	0.9
192.17441	1.7
202.15884	1.7
204.13687	0.7
218.15414	2.5
220.16939	40.2
221.15396	1.9
221.17441	0.8
222.15056	0.8
222.18680	0.7
236.16449	1.3
238.17990	48.7
239.18530	1.3
240.19514	7.5
254.15802	1.2
255.14182	0.9
256.15320	1.4
256.19046	5.4
271.10709	0.8
328.22830	1.2
363.89377	0.7
371.23416	0.8
405.21985	12.3
475.35294	17.1
476.33807	3.7
477.37045	6.0
493.36438	0.7
535.31860	5.1
608.40430	8.0
611.23218	1.4
642.39307	100.0
643.24390	1.2
643.29736	0.7
643.39435	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	641.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06371	0.4
55.05508	2.3
56.05024	0.5
58.06588	1.1
59.04990	0.4
61.88041	0.3
63.69847	0.4
67.05486	2.2
68.05033	0.7
69.03446	0.8
69.07069	2.3
70.06586	9.0
70.17688	0.7
70.18085	2.4
71.04980	0.6
72.08138	1.0
73.15343	0.4
73.30550	0.4
75.35135	0.4
78.42162	0.4
79.05484	1.7
79.11836	0.4
80.05020	0.7
81.07046	4.5
82.06564	1.3
83.08613	1.2
84.04499	0.9
84.08131	2.4
86.09700	1.4
91.05479	1.2
93.07047	1.9
94.06563	1.3
95.04993	0.7
95.08605	3.1
96.08128	6.0
97.08904	3.5
97.10160	2.0
98.09688	1.3
99.04438	0.4
105.07012	1.4
107.04945	4.5
107.08586	1.3
108.08110	5.3
109.06516	0.4
109.08915	0.5
109.10159	0.9
110.07196	0.5
110.09669	14.9
119.04911	1.0
119.08600	1.5
120.08103	1.4
121.10149	1.1
122.09670	1.8
122.10466	0.4
124.11258	0.8
127.03880	0.5
129.10220	0.9
131.08582	0.9
132.08092	0.5
133.06474	1.5
133.10115	0.8
135.08066	0.6
136.07567	0.8
138.12738	0.8
145.06422	0.9
145.10115	0.9
147.04401	1.9
147.11652	0.5
148.07513	0.8
149.02327	0.6
152.14299	0.9
157.06480	0.8
157.10123	0.5
159.08011	0.6
159.09244	0.4
159.11699	0.6
165.09114	1.4
166.15906	0.8
170.41089	0.5
173.11832	0.5
180.17461	5.0
192.17526	0.8
197.13490	0.4
199.11253	0.5
202.15956	1.7
203.12936	0.6
204.13925	1.1
212.10780	0.9
214.12387	0.6
220.16940	10.0
222.18503	5.6
224.16415	0.8
225.10161	0.5
232.13402	1.9
232.16971	0.5
238.17990	17.9
239.18712	3.4
240.19569	15.7
241.11006	1.0
242.11792	1.3
250.18011	2.4
260.12881	1.3
271.10855	1.4
280.13562	0.5
338.21170	1.6
346.23853	0.5
355.09189	0.6
356.22147	7.3
366.20554	2.2
374.23248	9.2
384.21619	4.4
402.22531	0.9
477.37241	0.9
609.23010	1.0
623.40723	0.7
641.41541	100.0
642.42004	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	641.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01879	0.4
55.05500	2.4
56.05021	0.4
57.07064	0.3
58.06582	0.9
59.04990	0.3
67.05495	1.8
68.05015	0.5
69.03421	0.4
69.07066	2.1
70.06583	5.8
71.04959	0.6
71.09001	0.7
72.08141	1.1
79.05486	1.8
80.05007	0.9
81.03418	0.3
81.07056	2.9
82.06579	1.4
83.08604	1.4
84.04482	0.4
84.08131	1.5
85.02898	0.5
85.06527	0.4
86.09688	1.1
87.00750	0.2
91.05460	1.3
93.07019	2.0
94.06547	1.1
95.04958	0.6
95.07328	0.2
95.08606	2.5
96.04468	0.4
96.08117	4.8
97.08894	2.9
97.10161	2.2
97.98324	0.2
98.09682	1.2
105.07010	1.1
107.04945	2.6
107.08555	1.2
108.08096	5.8
108.08774	0.4
109.06508	0.4
109.08894	0.2
109.10129	1.0
110.07135	0.4
110.09666	12.2
111.08116	0.3
111.10480	0.3
111.23322	0.2
118.97283	0.3
119.04916	1.3
119.08554	0.9
120.08109	0.9
121.02840	0.3
121.06457	0.3
121.10140	1.0
122.09645	2.3
123.08112	0.3
123.10426	0.3
123.11649	0.3
124.11216	0.9
125.12016	0.4
127.03882	0.6
131.04874	0.2
131.08575	0.7
133.06459	0.8
133.10098	0.3
134.09662	0.3
135.08086	0.3
135.11711	0.3
136.07584	0.3
136.11147	0.6
138.05446	0.4
138.09134	0.4
138.12773	0.8
143.08530	0.4
145.06447	0.7
145.10159	0.6
147.04396	4.7
147.11678	0.3
148.07541	0.5
149.09575	0.3
152.14311	0.5
157.06482	0.3
159.08054	0.7
159.11702	0.3
161.13319	0.3
165.09116	0.5
166.15918	0.8
171.08061	0.7
178.04878	0.3
180.17436	3.9
185.09650	0.4
185.13313	0.3
192.17464	0.8
193.15715	0.3
198.09143	0.3
200.10692	0.5
202.15871	2.4
204.13829	1.2
204.17455	0.4
206.15405	0.3
212.10680	0.8
214.12213	0.4
220.16930	14.1
221.17751	0.3
222.18491	6.5
224.16490	0.8
232.13359	1.9
235.08821	0.3
237.10289	0.3
238.17982	22.4
239.18718	3.1
240.19553	15.3
241.10976	1.6
242.11743	2.0
249.06371	0.3
260.12796	2.0
267.07806	0.4
267.11154	0.4
267.97321	0.3
283.10687	0.5
285.12558	0.3
291.07877	0.3
301.11731	0.3
305.05573	0.3
310.06110	0.5
310.09528	0.5
315.09818	0.3
323.06546	0.5
324.19528	0.4
325.17642	0.2
328.18619	0.3
337.08261	2.9
337.12051	0.4
338.21063	0.6
347.06931	0.3
348.19516	0.5
355.09238	5.1
356.09521	0.5
356.22147	3.3
365.07703	0.6
366.20535	3.1
371.46445	0.3
374.23224	6.2
383.08685	4.9
384.09164	0.5
384.21637	5.2
385.22043	0.3
401.09705	3.3
402.10162	0.5
402.22623	1.5
403.47592	0.3
487.40253	0.3
545.58270	0.3
609.23090	0.8
623.40344	0.5
641.41516	100.0
642.42010	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	640.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.95508	0.7
55.01857	3.1
55.05502	7.6
56.05021	2.3
57.03429	1.4
57.07061	4.8
59.04972	1.1
61.02923	0.9
67.05159	1.1
67.05492	15.3
69.03418	10.5
69.06703	1.4
69.07056	17.6
70.06580	16.8
71.04988	6.4
71.08598	1.0
72.08134	3.9
73.02899	1.3
76.02230	0.8
79.05479	6.3
81.03404	4.7
81.07043	38.0
82.07339	0.8
83.04972	2.9
83.08612	5.9
84.04486	3.0
84.08134	6.0
85.02886	10.5
85.06528	6.4
86.09688	9.1
87.00804	4.5
91.05471	6.2
93.07032	16.9
95.04966	7.0
95.08592	21.1
96.08117	2.6
97.02856	4.8
97.06498	5.3
97.10164	4.9
98.09704	0.7
98.21498	1.4
99.04448	5.3
99.08083	2.9
101.06024	1.4
102.05544	1.2
103.05410	0.8
105.01835	2.8
105.07018	8.9
107.04954	1.0
107.08574	18.7
109.02874	4.6
109.06486	5.7
109.10139	42.1
110.07148	2.4
111.04410	1.0
111.08057	4.0
111.11716	3.7
113.05978	1.4
113.09642	1.2
119.08550	8.0
120.08091	6.6
121.06517	1.3
121.10126	15.6
123.04408	1.2
123.08085	3.5
123.11686	34.9
124.07541	1.1
125.05972	1.3
125.09602	6.9
127.03923	6.2
127.07549	1.3
127.11175	2.7
129.10199	2.7
131.08585	3.8
133.10091	9.3
135.08043	3.5
135.11682	8.3
136.06184	1.3
136.07542	2.3
137.06029	0.8
137.09587	23.6
137.13240	4.2
139.07558	1.0
139.11156	4.3
142.08626	2.5
143.07025	1.3
143.08537	2.1
143.10660	3.4
143.11656	0.8
145.04973	1.3
145.10057	4.5
147.08012	3.3
147.11668	7.3
149.09599	3.3
149.13214	5.8
151.11133	5.3
151.14767	1.3
153.09038	1.8
153.12689	5.7
155.10655	4.3
157.10081	2.3
157.12181	0.8
159.02881	1.3
159.11693	5.3
161.09616	3.1
161.13234	3.8
163.11151	3.1
163.14818	2.4
165.09087	32.9
165.12677	3.6
166.09509	0.8
167.10643	4.1
167.14288	0.9
169.09981	1.4
169.12190	1.9
171.10147	3.4
171.11592	1.7
173.09578	1.9
173.11716	1.3
173.13185	3.1
175.11151	2.0
175.14790	4.7
177.09132	2.4
177.12694	1.9
177.16350	2.4
179.10641	3.5
181.12209	1.2
183.10133	5.9
185.13197	1.8
187.11063	1.2
187.14787	3.0
189.12665	2.0
189.16370	2.2
191.10672	1.5
191.14368	1.0
193.12187	1.1
193.15834	3.3
195.10130	2.0
195.13651	0.7
197.11551	1.0
197.13167	1.3
199.14757	1.1
201.11188	2.7
201.16420	3.3
203.14296	3.0
203.17958	1.6
205.15877	2.0
211.14784	0.9
213.16443	1.1
215.17969	1.6
217.15880	2.2
219.17453	1.3
220.16983	2.0
222.18500	1.0
223.16917	1.1
229.15857	2.3
231.04800	1.3
233.19026	2.3
237.18478	2.5
238.17946	6.5
239.18576	3.2
239.68846	0.9
240.19536	3.2
243.21036	2.2
247.17009	1.0
249.57753	0.8
251.16335	1.5
251.20044	5.5
257.22498	1.0
261.22195	1.8
263.20148	1.1
273.10077	0.7
273.22092	2.4
275.23764	1.7
279.23096	3.2
285.22083	5.6
291.23105	7.8
303.23135	29.7
304.23425	1.0
309.24255	9.5
321.24197	61.5
322.24448	1.0
339.25247	100.0
340.25690	1.6
352.21130	1.2
355.09219	2.0
357.26266	5.1
375.27118	1.2
383.12622	1.5
411.24960	1.0
429.26437	1.4
477.36234	1.0
515.26270	1.1
520.90686	1.0
533.27307	2.0
551.28265	1.9
569.29327	1.4
587.30304	1.1
641.24658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85763	0.3
62.43732	0.3
66.88753	0.5
67.05473	0.4
74.05205	0.4
79.05476	0.4
81.07063	0.6
95.08592	0.5
105.06984	0.4
107.04731	0.5
107.08615	0.4
109.02586	1.7
112.65638	0.3
123.08077	0.3
129.59941	0.4
148.08574	0.3
161.09586	0.4
169.10004	0.4
240.19527	0.9
479.37814	1.0
489.29477	0.7
515.30951	0.9
533.32184	2.2
545.33978	0.5
547.33923	3.8
563.34888	3.9
581.36066	7.1
582.36151	0.5
603.38452	0.9
618.00342	0.4
621.39093	9.7
622.39618	1.0
639.40106	100.0
640.40466	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	639.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41716	0.2
67.05486	0.4
69.07088	0.3
70.13752	1.3
71.08621	0.2
81.07043	0.3
84.47492	0.2
87.81238	0.2
89.06001	0.3
91.05452	0.4
93.07063	0.3
94.70833	0.2
95.04986	0.2
95.08593	0.5
95.42842	0.2
97.06491	0.2
105.07030	0.3
107.04707	0.4
107.08574	0.3
109.02625	1.3
119.08585	0.3
143.08498	0.3
159.11627	0.3
189.45302	0.2
216.99142	0.2
238.18156	0.4
240.19675	0.3
313.27399	1.0
333.18271	0.3
391.22641	0.3
438.60330	0.3
441.26151	0.3
449.20456	0.2
457.27042	0.4
471.28864	0.5
475.28406	0.4
479.38330	0.5
489.29974	0.7
515.31311	0.7
529.33026	0.5
533.32159	2.1
547.33826	3.3
563.34808	3.2
564.35596	0.4
579.25891	0.5
581.35968	7.7
582.36194	0.4
603.38098	0.5
621.39093	7.3
639.40106	100.0
640.28894	0.7
640.40265	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	637.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01853	2.6
55.05501	3.6
57.03147	0.8
57.03427	12.8
57.06791	1.0
57.07069	21.8
61.02918	45.5
67.05498	8.1
69.03417	19.0
69.07062	5.1
71.01333	2.7
71.04974	2.5
71.08622	17.5
71.71099	0.8
73.02908	16.9
75.04482	1.0
79.05479	0.7
81.03409	14.2
81.07040	10.2
83.01339	0.9
83.04961	2.3
83.08598	6.8
85.02892	58.3
85.10168	10.2
87.04440	2.3
89.06002	1.0
91.03941	35.2
91.05463	1.0
93.07034	0.8
95.08598	14.7
95.09231	0.7
97.02879	50.5
97.10152	4.4
99.04443	8.3
101.02357	4.6
103.03926	7.2
105.07021	0.7
107.08540	0.7
109.02857	9.5
109.06470	1.2
109.10146	7.2
111.04427	1.7
111.11653	1.4
115.03892	4.7
117.05465	1.9
123.05602	0.9
123.11678	2.3
127.03899	20.9
129.05450	5.2
135.92793	0.5
137.05910	0.8
137.13220	0.9
142.40010	0.6
145.04944	14.4
155.06981	1.1
158.24365	0.6
159.06534	2.4
163.05972	4.1
171.06525	1.7
183.06522	11.0
201.07541	8.7
203.66209	0.7
219.08664	1.5
220.17024	1.0
221.22621	0.7
238.17996	1.5
239.23676	17.1
240.19501	0.9
244.99481	0.7
257.24765	3.2
298.27509	0.8
313.27316	100.0
314.27695	2.2
331.28317	1.0
341.26831	4.6
355.28372	4.5
367.28439	1.3
383.27789	2.0
385.29468	2.0
397.29431	1.5
409.29544	0.7
421.29367	1.5
439.30179	4.0
457.31500	15.5
475.32654	2.4
477.36609	2.7
478.60513	0.6
531.02118	0.7
625.18268	0.8
637.38129	4.4
663.14307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05491	2.8
57.07055	0.9
65.03916	0.7
67.05486	5.4
69.03414	2.1
69.07056	6.2
69.68921	0.6
70.06586	8.3
70.13499	0.7
71.04980	1.4
71.65795	0.7
71.66194	0.8
72.08134	2.4
73.02847	0.7
79.05482	2.8
79.67536	0.6
81.03400	1.6
81.06586	1.0
81.07041	13.4
83.04985	0.6
83.08598	2.6
84.08133	1.2
85.02879	3.5
85.06546	1.8
86.09698	6.4
87.00809	1.5
91.05473	3.0
93.07025	7.8
95.04956	1.4
95.08590	12.7
95.40082	0.7
97.02870	2.5
97.06544	3.4
97.10135	3.4
105.06996	4.8
107.08579	11.1
109.02873	1.1
109.06515	3.7
109.10125	9.0
111.08076	2.6
111.11722	1.0
119.08559	5.2
120.07321	0.6
120.08043	3.2
121.06529	0.7
121.10129	9.1
123.08035	2.9
123.11707	5.9
125.09650	3.1
127.03870	2.8
127.07559	1.9
127.08576	1.1
129.10149	1.0
131.08562	1.9
133.10074	4.5
135.08055	1.2
135.11673	8.3
137.09592	1.9
137.13243	0.8
139.11191	0.9
145.04881	0.7
145.10104	3.1
147.11641	4.2
149.09541	1.8
149.13219	6.6
151.11154	6.4
153.09082	0.8
153.12720	1.2
155.08191	1.0
157.10106	1.2
159.11685	5.6
161.09601	0.7
161.13222	5.2
163.11153	1.5
163.14813	2.3
165.12724	2.2
167.10666	0.7
171.11642	0.8
173.13232	2.4
175.14804	2.2
177.12735	2.1
177.16324	1.4
179.14249	1.5
180.91112	0.6
185.13200	1.2
187.14815	1.0
189.12640	1.4
189.16345	0.8
191.14285	2.9
191.17937	1.9
193.15849	1.0
193.19615	0.7
195.13707	1.4
199.14742	1.2
201.16295	3.5
202.63872	0.6
203.17963	1.8
205.15915	0.9
207.17407	1.7
217.15746	1.0
219.17447	2.5
220.16951	0.8
221.19035	1.3
225.16339	0.7
238.18066	2.3
239.18321	0.9
240.19591	1.6
250.13342	0.6
271.24207	1.7
281.22635	2.8
289.25177	4.2
299.23703	3.8
317.24680	19.8
318.24979	0.8
335.25751	100.0
336.25992	3.4
341.11633	0.7
353.26794	22.3
354.27094	0.9
371.27847	2.2
373.96869	0.8
477.36716	1.3
562.35504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
53.47437	0.2
55.01849	0.4
55.05507	2.9
56.04998	0.7
57.03421	0.2
57.07051	0.2
58.06559	0.6
62.26795	0.2
65.03941	0.2
67.05496	2.9
67.25764	0.2
68.04996	0.8
69.03400	0.6
69.07060	3.7
70.06582	12.1
70.65282	0.2
71.04948	0.7
71.06888	0.7
71.14603	0.4
72.08147	4.3
74.06042	0.5
79.05077	0.2
79.05485	3.5
80.04995	1.0
81.03377	0.5
81.05763	0.6
81.07050	3.3
82.06570	1.7
83.04957	0.4
83.06062	0.3
83.08577	0.8
84.04498	1.5
84.08131	2.0
85.02898	1.6
85.06488	0.3
86.09692	6.2
87.05554	0.3
87.10007	0.2
88.03963	0.5
91.04969	0.2
91.05462	2.4
93.05760	0.5
93.07026	2.9
94.06027	0.3
94.06556	4.2
95.04948	0.5
95.07317	0.5
95.08596	1.6
96.08120	4.9
97.02840	0.4
97.06502	0.3
97.10118	0.8
98.09660	0.5
99.04417	0.3
101.07104	0.4
102.05499	0.6
104.05349	0.2
105.07010	1.9
106.06514	0.4
107.04899	0.3
107.07336	3.3
107.08547	1.8
108.04449	0.2
108.08101	7.5
109.02829	0.6
109.06462	0.5
109.08910	1.0
109.10125	0.4
110.05994	0.3
110.07138	2.0
110.09671	1.7
112.07576	0.2
112.08690	0.4
113.07057	0.3
115.08693	0.3
117.06995	0.5
118.06519	0.5
119.08586	1.2
120.08085	3.9
121.06483	0.3
121.08817	0.7
121.10106	0.6
122.06011	0.3
122.09648	4.3
123.08038	0.4
123.10448	1.1
124.07529	0.4
124.11207	1.3
127.03877	0.6
127.04942	0.3
127.08641	0.3
128.06190	0.2
129.06898	0.3
129.10245	1.1
130.04958	0.3
130.06511	0.3
131.07263	0.6
131.08516	0.7
132.08069	1.7
133.06508	0.3
133.08820	0.4
133.10065	0.7
134.05983	0.9
134.09633	1.5
135.07996	0.3
135.10452	0.3
135.11588	0.4
136.07565	1.4
136.11176	0.8
137.05943	0.4
137.09573	0.4
138.09128	1.4
141.01770	0.5
141.10155	0.5
143.08546	0.6
143.11739	0.5
144.08084	1.8
145.06216	0.3
145.08818	0.9
145.10078	0.8
146.05948	0.7
146.09595	1.7
147.04390	0.4
147.06734	0.5
147.10411	0.4
148.07596	1.3
148.11133	0.6
155.08171	0.3
156.08109	0.3
157.08809	0.6
157.09995	0.3
157.13219	0.2
158.09631	1.7
159.09203	0.2
159.10378	0.8
159.11522	0.2
160.07570	2.0
160.11206	0.4
161.08313	0.3
161.09546	0.4
162.09096	1.7
162.12793	0.3
163.03937	0.2
163.11104	0.5
164.11604	0.2
165.68591	0.2
167.08386	0.2
168.07976	0.3
169.13243	0.2
170.05989	0.3
170.09615	0.7
170.11719	0.7
171.11343	0.3
171.14919	0.6
172.07596	1.1
172.11205	0.8
173.05605	0.6
173.08315	0.3
174.05531	1.0
174.09126	1.3
174.12723	0.5
175.07573	0.2
176.07034	1.0
176.14320	0.6
177.03864	0.3
177.05397	0.2
178.04945	0.4
182.09615	0.5
183.14873	0.3
184.07492	0.3
184.11160	0.8
185.13274	0.4
186.05479	0.5
186.09102	1.3
187.10963	0.3
188.07024	1.1
188.10666	0.3
190.08647	0.5
190.15903	1.4
192.06445	0.2
192.13672	0.3
192.17484	1.1
197.08278	0.2
198.09047	1.0
200.07005	0.9
200.10767	0.5
200.14313	1.8
201.12321	0.7
202.08629	0.5
202.15836	2.2
204.06558	1.2
204.13782	0.6
206.08141	0.5
212.07130	0.4
212.10596	0.4
212.14362	0.4
214.08664	0.5
214.12251	0.3
214.15904	0.5
215.13754	0.2
216.10078	0.4
216.13866	0.2
218.07990	0.3
218.15378	8.1
220.16936	26.7
221.17351	0.6
222.12892	0.3
222.14864	1.3
222.18451	1.1
226.08458	0.4
226.11752	0.2
228.13727	0.4
230.08278	0.3
230.15352	0.7
234.14862	0.4
236.14182	0.3
236.16429	4.0
238.17982	42.0
238.68176	0.3
239.18730	2.2
239.68997	0.6
240.13724	0.3
240.19534	6.3
240.21861	0.4
240.69843	0.6
241.19713	0.5
242.15292	1.1
243.15123	0.2
244.17046	0.3
245.13019	0.3
246.14980	0.4
254.15286	0.3
256.13339	1.7
256.16690	0.3
256.19086	4.0
258.14926	2.8
258.17917	0.3
258.18378	0.2
260.16461	1.3
262.18008	0.3
268.16974	0.3
270.14874	0.7
272.16360	0.7
274.17902	0.6
276.15945	0.7
280.16953	0.2
284.12796	1.4
284.16357	0.6
285.12595	0.2
286.14322	1.9
286.17935	0.8
288.08298	0.5
288.15912	0.8
288.19186	0.3
290.17371	0.4
296.16376	0.7
297.12155	0.4
298.14371	0.9
298.17798	0.4
300.15860	0.6
302.13815	0.6
302.17502	0.8
304.15424	0.6
310.14392	0.7
312.15909	1.9
314.17416	1.7
316.15546	1.3
316.18887	0.5
320.15118	1.0
328.15381	0.8
330.16895	1.2
332.18420	1.7
334.16330	0.3
335.20093	0.2
340.15283	1.0
342.16910	0.5
346.16086	0.3
350.20029	0.3
358.16354	1.2
360.18024	0.4
376.17633	1.0
378.19162	0.5
386.15372	0.5
394.18542	1.4
396.20270	0.6
414.13364	0.3
415.15442	0.8
434.41226	0.2
474.16553	2.4
475.35229	0.4
477.37057	0.6
479.38150	0.4
480.39227	0.3
497.33893	0.2
505.53888	0.3
506.19168	2.0
523.31555	0.8
539.34741	0.6
541.32520	2.3
565.32587	0.5
569.35822	0.5
571.34296	0.3
595.34143	1.0
599.25067	0.5
613.34564	2.0
631.35797	100.0
632.36145	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	630.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.6
57.07067	68.4
59.04996	17.3
69.07053	2.1
71.08622	64.6
71.19578	0.6
71.36467	1.6
71.47975	0.6
73.06549	3.9
74.70965	0.6
82.06557	1.7
83.08601	1.8
85.10169	56.1
87.04456	11.2
89.06018	100.0
90.06387	0.7
93.07021	0.7
97.10116	0.9
99.11719	5.2
100.07594	1.7
103.07571	6.5
107.07044	4.3
107.08598	0.8
117.09122	4.4
130.08635	6.7
131.07011	4.7
133.08585	79.9
135.10243	1.1
141.16360	5.4
146.08112	8.9
147.08411	0.9
155.17976	0.7
160.04256	0.8
161.11716	0.9
169.17819	0.6
175.09642	5.9
177.11203	40.7
185.18938	0.7
199.20531	9.0
219.12317	2.2
221.13840	7.6
223.15369	1.3
239.14928	3.0
243.23126	6.5
265.16641	1.5
283.17441	3.9
309.18774	1.0
327.20169	3.5
353.21921	1.3
371.22678	3.0
397.24347	2.0
415.25317	23.6
455.28500	2.8
489.94598	0.8
548.66595	1.0
553.24963	0.8
613.44983	4.9
630.47864	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	630.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01863	1.6
55.05505	24.9
57.03432	2.4
57.06786	1.1
57.07065	18.7
59.04989	13.2
61.02917	1.3
67.05493	7.5
68.98021	0.5
68.99780	0.9
69.03419	7.0
69.07057	100.0
70.06581	8.3
70.07400	0.9
71.04978	3.9
71.08627	1.7
72.08139	1.6
73.02928	0.8
79.05490	1.9
81.03413	6.5
81.07043	10.9
83.04987	0.8
83.08606	84.9
84.04495	0.9
84.08145	2.5
84.08925	0.8
85.02895	16.4
85.06534	1.9
86.09693	4.7
87.00812	5.9
87.04445	1.1
87.05569	0.7
89.06017	22.2
91.05470	1.1
93.07030	2.1
95.04946	1.2
95.08593	8.5
96.08127	0.8
97.02878	5.7
97.10155	16.2
99.04438	2.4
99.08051	3.0
101.05997	0.7
101.09651	0.8
103.07601	0.9
105.01855	4.5
105.06990	0.8
107.07059	4.0
107.08575	0.7
108.08115	1.1
109.02876	5.5
109.10132	6.9
111.11711	1.0
113.09649	1.3
117.09089	3.0
119.08504	0.9
119.10715	0.5
120.08096	4.5
121.06468	1.0
121.10133	0.9
123.11680	4.2
125.13251	14.3
127.03905	10.0
129.01826	0.8
129.10175	0.9
131.08551	1.0
133.08598	8.5
133.10167	0.7
136.07578	1.0
137.13248	1.1
138.09134	2.3
139.14792	1.2
141.12773	1.0
141.21370	0.6
143.14265	2.9
145.04942	3.5
147.02858	0.7
147.10165	5.2
148.07614	0.8
149.13280	0.6
151.09628	5.3
159.02855	1.7
165.11226	2.2
165.16336	3.0
177.11180	0.5
179.17896	1.0
182.15506	0.6
183.17442	4.1
189.03928	0.6
191.12785	2.9
195.12292	0.7
197.19019	2.2
201.18446	6.0
205.14310	4.5
209.13823	5.4
211.14470	0.5
220.16878	0.9
223.15340	4.0
231.04999	1.8
238.18036	2.2
239.18616	1.7
240.19624	1.0
241.21671	3.4
242.11523	0.5
250.73512	0.6
259.22751	1.6
303.13098	0.6
311.10083	0.9
313.11826	0.7
345.14395	1.1
347.27866	99.9
348.28281	3.7
357.10623	0.7
365.28937	39.3
366.29227	1.6
594.33734	1.0
598.23474	1.1
599.24341	1.2
631.33356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	0.6
59.04972	0.6
60.21813	0.4
71.08610	0.5
71.62605	0.8
73.36465	0.4
87.04434	0.6
89.06012	0.6
93.07005	0.7
125.37852	0.5
141.29846	0.6
166.48007	0.5
175.91071	0.5
177.79463	0.6
231.08333	0.5
278.68884	0.5
410.13824	0.7
411.14291	0.7
412.15076	0.7
424.15131	1.6
425.15915	3.6
426.16916	1.8
427.17651	1.8
437.16373	0.7
438.17151	1.1
439.17886	7.0
440.18387	6.5
441.19058	2.0
442.20065	1.8
452.14053	3.0
453.15338	21.2
454.15982	3.4
454.20639	1.9
455.20782	27.7
456.21277	3.0
466.16113	2.5
467.16855	24.0
468.17404	8.0
471.16159	0.7
481.18451	7.8
482.19025	41.4
483.19562	4.1
484.17218	0.9
485.18234	1.5
486.19019	0.7
494.18423	1.8
495.20206	0.9
499.20255	0.6
500.20123	1.9
508.20157	0.7
509.21582	1.1
511.19016	0.8
512.20807	0.8
513.21381	1.4
514.21674	1.9
523.21301	2.3
524.21588	1.0
525.22980	2.9
528.23676	2.4
541.25024	3.0
542.25128	0.8
553.21960	20.7
554.21448	3.2
569.23877	63.4
570.24329	5.1
597.22955	2.5
600.22192	2.1
601.26227	3.3
629.25726	100.0
630.25922	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	628.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.9
57.07066	30.9
59.04992	1.3
67.05475	1.4
69.07054	5.0
69.48674	12.2
71.08620	29.8
73.06551	7.1
77.06434	1.0
81.07034	2.5
83.08621	3.9
85.10169	16.7
87.04456	6.2
89.06020	100.0
91.05464	2.3
95.08609	1.7
97.10165	4.4
99.11735	1.9
105.07043	1.4
105.33032	1.0
107.07053	4.5
107.08549	1.7
111.11684	3.9
113.13267	1.9
117.09129	5.6
121.10129	1.3
125.13266	2.9
130.08641	5.1
131.07007	2.2
133.08588	58.4
135.10164	1.1
141.16315	1.6
175.09840	1.3
177.11200	24.1
197.22600	3.1
221.13760	5.0
239.14807	2.8
241.25293	2.8
283.17496	2.6
285.27908	8.7
327.19971	2.4
329.30441	5.7
371.22665	2.1
415.25308	10.0
611.47217	11.6
628.39410	1.8
628.49451	6.8
628.58325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2235
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.60791	0.4
56.21420	0.5
56.91176	0.4
63.20967	0.3
115.65487	0.4
122.96283	0.4
259.89423	0.4
269.65155	0.4
282.47473	0.4
336.31631	0.5
356.89603	0.4
395.11310	0.7
396.12183	1.4
397.12958	2.4
398.13812	1.1
399.14465	1.0
400.15097	0.9
409.12976	0.9
410.13574	2.8
411.14557	7.5
412.15289	6.3
413.16055	4.4
423.15164	2.0
424.10797	1.1
424.16113	3.1
425.16309	16.6
426.16846	11.6
427.17694	4.1
428.18558	4.2
437.16263	0.9
438.12180	3.2
439.13559	23.7
440.13519	1.4
440.19165	7.5
441.19247	42.9
442.19760	2.2
443.17499	0.6
450.12473	0.5
451.17953	0.6
452.14310	3.7
453.15350	25.3
454.15643	6.0
454.26175	0.7
455.16595	0.6
455.21756	0.7
456.17758	1.3
457.14822	0.8
458.15509	0.8
465.15375	0.4
466.11948	0.4
466.16193	1.3
467.17142	28.2
468.17859	25.5
469.18787	11.8
470.19250	0.6
471.16882	1.9
472.17139	1.0
480.17380	0.7
481.14618	11.0
482.15820	1.9
483.16470	0.8
484.21790	4.3
485.17429	1.2
485.22092	1.6
486.18896	0.6
491.34732	0.6
494.17358	0.5
495.16409	1.8
495.21017	1.0
496.17093	11.0
497.17355	2.0
498.18909	1.8
499.20361	1.9
500.20584	6.2
508.20007	0.9
509.18591	1.3
511.20184	0.5
512.20953	2.3
513.22003	6.2
514.21869	0.5
523.19543	1.9
525.21143	0.6
526.18774	0.5
527.19092	0.7
528.20221	1.6
530.21564	0.5
531.22583	0.8
537.17987	0.8
540.16833	0.4
540.20239	0.4
541.20801	47.2
542.21063	2.0
553.21405	1.0
554.17908	0.8
559.21570	0.7
569.20258	100.0
570.20526	3.9
572.18689	0.9
573.23578	2.9
597.19757	32.2
598.19897	1.6
600.22180	1.3
601.22870	14.9
602.23291	0.5
615.20612	1.1
629.22327	94.8
630.22290	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	628.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67962	0.3
52.73238	0.3
55.05502	1.7
56.05025	0.7
58.06591	3.2
65.03936	2.8
67.05498	5.1
68.69793	0.4
69.07070	2.2
69.51005	3.4
70.06586	12.6
71.04961	0.9
72.08138	1.1
79.05485	2.6
80.05016	0.4
81.07046	8.7
82.06564	1.4
83.08595	0.9
84.04498	0.5
84.08134	2.3
91.05469	63.4
92.05783	1.7
93.07037	2.3
94.06570	0.8
95.08595	7.8
96.08118	5.0
96.37260	0.3
97.06515	0.5
97.08918	0.4
97.10160	0.7
98.09681	2.9
98.20804	0.7
99.09975	0.3
103.55045	0.4
105.07006	1.0
106.06535	0.8
107.08572	2.2
108.08121	1.2
109.06487	0.6
109.10138	2.5
110.09684	1.7
119.08551	1.3
120.08134	0.5
121.07659	0.4
121.10136	1.2
122.09678	0.5
123.11668	0.8
124.11206	0.7
131.08598	0.5
133.10127	0.4
134.09718	0.5
145.10126	0.7
147.11679	0.4
154.12241	0.5
160.11188	0.5
178.64368	0.3
194.15436	0.7
194.18991	0.9
212.16405	0.8
218.15556	0.4
220.16962	5.4
221.17256	1.1
222.18510	31.5
223.18840	1.3
238.17990	12.0
239.18324	2.1
240.19553	100.0
241.19893	4.3
247.18181	0.4
256.19077	0.8
258.20718	0.6
293.71646	0.4
330.24280	0.9
336.50824	0.4
357.25186	0.9
459.35947	0.5
461.37042	0.5
477.36835	10.0
478.37238	3.2
479.38361	98.1
480.38687	5.3
486.37015	1.0
502.36447	2.4
521.33942	1.2
526.36688	0.5
546.50177	0.4
592.40771	0.7
594.42529	48.0
595.43060	4.0
628.41351	19.4
629.41248	1.2
657.77728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
51.64129	0.2
60.04522	1.3
67.05487	0.2
69.07054	0.4
69.46503	0.3
69.46863	2.6
70.02964	0.4
70.06583	2.9
71.05013	0.3
72.08144	0.5
72.14409	0.2
77.03935	0.2
79.05458	0.4
81.07053	0.7
84.04474	0.3
84.08132	0.5
85.02873	0.4
85.06517	0.6
86.09694	73.1
87.05591	0.9
87.10030	0.5
88.03976	0.2
91.05483	1.0
93.07033	1.4
95.04948	0.3
95.08608	0.5
103.05449	3.2
105.07008	0.7
109.10116	0.4
110.07140	0.6
120.08088	100.0
121.08432	1.2
121.10115	0.3
123.11681	0.4
127.12386	0.3
128.10718	0.4
129.10266	0.4
130.06529	0.5
131.04929	0.4
132.08060	0.2
134.09593	0.4
135.11684	0.2
136.07588	0.3
144.08047	0.7
148.07545	0.5
155.11711	0.3
159.09149	1.0
160.38666	0.2
162.09116	4.5
172.07565	0.2
173.12825	4.2
183.11325	0.4
189.10179	1.0
200.06927	0.4
201.12326	1.3
202.08389	0.2
207.11250	6.2
217.09689	8.2
217.11838	0.4
220.16858	0.3
222.12787	0.3
233.16451	5.0
235.10748	6.7
238.17970	1.0
239.18468	0.3
240.19649	0.8
261.15945	6.9
263.10242	0.2
281.11292	14.1
282.11566	0.3
285.15942	0.6
295.14435	0.3
302.18640	1.1
303.16873	0.5
320.19843	0.4
330.18073	22.0
331.18323	0.6
337.15750	0.2
348.19153	10.7
349.19455	0.4
364.16278	0.5
376.18381	0.4
382.17639	0.7
394.19684	3.5
398.02899	0.2
450.23633	0.7
463.21210	0.3
467.19983	0.4
467.26437	5.9
477.24866	0.7
481.22870	0.7
495.26047	2.8
499.38394	0.3
610.28387	0.5
628.29395	2.5
654.54565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30422	1.8
53.03935	2.5
55.05504	37.7
57.03429	2.8
57.07071	19.5
59.04991	20.0
65.05509	1.9
67.05502	8.4
69.03423	5.8
69.07060	44.4
70.06590	14.4
71.04971	4.9
71.08624	5.6
71.75231	2.6
72.08153	4.8
79.05461	2.8
81.03397	4.9
81.07055	17.6
82.06561	1.9
83.04997	2.1
83.08609	100.0
84.04504	2.4
84.08130	6.7
84.82667	1.6
85.02895	9.2
85.06519	3.0
86.09696	17.1
87.00835	1.8
87.10011	1.8
89.06018	13.9
91.05469	5.7
93.07052	4.7
95.04980	2.4
95.08605	12.3
97.02888	3.7
97.10162	37.0
99.04455	2.5
100.45169	1.8
100.46005	1.5
105.01851	4.1
105.07030	1.9
107.07066	1.9
107.08591	3.4
109.02876	4.4
109.10140	7.3
110.07119	4.0
111.11696	4.2
117.09116	3.6
119.08550	2.2
120.08089	8.6
123.11698	7.5
125.13242	2.0
127.03876	5.0
129.10242	3.2
133.08597	3.4
133.10135	2.9
135.08063	2.0
137.13242	4.4
139.14803	4.6
145.04855	2.3
147.10144	6.5
151.09634	2.3
157.15930	2.3
164.07018	2.3
165.11223	2.9
179.17961	2.9
188.29330	1.8
191.12639	1.6
197.18948	4.2
205.14270	2.8
215.20065	5.6
220.16843	4.0
223.15381	4.4
231.82625	1.9
238.18039	5.1
238.68385	1.8
239.18617	2.3
240.19681	5.9
267.11063	2.2
269.12845	2.6
278.63770	1.7
294.82022	2.0
319.04480	2.8
356.50909	2.1
361.29465	45.9
379.30472	7.7
491.34625	6.0
577.89862	1.9
595.25446	2.2
627.23810	2.8
654.14972	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	627.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01860	3.6
55.05500	5.8
56.05020	0.8
56.07908	0.4
57.03425	6.2
57.07063	4.3
59.04994	1.8
60.04517	6.1
61.01176	0.4
61.02923	2.5
65.03927	0.8
67.05493	13.6
68.05010	0.7
68.99780	0.5
69.03417	10.7
69.07056	17.4
69.08121	0.4
70.02950	0.6
70.03742	0.9
70.06580	59.1
71.00737	1.4
71.04982	26.6
71.06910	6.9
71.08620	0.5
72.05317	4.8
72.08141	3.7
73.02902	1.8
73.06551	0.5
74.06060	0.6
74.09691	0.5
75.04465	1.7
79.05479	7.4
81.03409	5.8
81.07043	36.8
82.06561	0.7
82.07333	0.5
83.04974	3.2
83.08601	4.3
84.04487	2.0
84.05301	0.6
84.08122	3.7
85.02890	45.6
85.06528	28.2
85.07072	0.6
86.03221	6.3
86.09688	6.9
87.00819	4.9
87.03319	2.0
87.04447	1.6
88.03970	1.4
91.03938	0.9
91.05457	8.0
92.02599	0.8
92.05803	0.6
93.03397	1.1
93.07028	21.0
94.06544	0.7
95.04955	2.5
95.06089	0.9
95.08588	29.8
96.08123	0.5
96.08890	0.5
97.02876	6.8
97.06506	5.1
97.07618	0.6
97.10154	3.2
98.03203	0.9
98.06020	1.1
98.63488	0.5
99.04440	3.7
99.08077	6.0
101.06006	0.8
102.05521	0.6
103.05428	0.9
104.05293	0.5
105.01843	4.8
105.03374	0.5
105.07021	9.2
105.07701	0.3
107.04934	0.9
107.08574	22.3
108.04491	0.6
108.08147	0.7
108.08942	0.7
109.02853	3.9
109.06497	1.8
109.10136	24.6
110.07138	1.5
110.10480	0.5
111.04384	1.3
111.07351	0.7
111.08070	9.0
111.11707	3.2
112.07579	0.4
112.08683	0.8
113.09666	2.2
115.07527	1.8
115.08696	2.1
116.07043	0.5
116.09052	0.7
117.01832	0.7
117.07053	0.6
118.06533	4.2
119.04916	0.7
119.06879	1.7
119.08559	7.2
120.08092	11.7
121.02817	1.3
121.06537	0.6
121.08434	4.3
121.10121	15.0
123.04391	0.7
123.08060	0.6
123.11684	14.4
125.07083	1.0
125.08727	0.9
125.09605	12.1
125.13220	0.7
127.03905	9.7
127.08665	0.7
127.11162	2.0
128.04218	0.7
129.01773	0.6
129.05466	7.0
129.06909	0.6
129.10185	1.2
130.05785	1.9
131.04884	0.9
131.05876	1.0
131.08572	2.4
132.08154	0.4
133.10112	5.8
135.04373	0.8
135.08124	0.5
135.10648	0.9
135.11667	12.9
136.07535	4.7
137.05992	0.8
137.07045	1.8
137.09572	1.5
137.13232	6.2
138.07686	0.4
139.03879	1.6
139.08690	0.7
139.11160	7.7
141.12717	0.6
143.08498	0.8
143.10654	4.1
145.04935	3.5
145.10074	2.2
146.06004	10.8
147.04410	0.6
147.05383	0.5
147.06371	5.7
147.11674	5.9
149.05946	0.6
149.13240	11.5
151.03899	0.6
151.11134	1.6
151.14764	1.2
152.08109	0.5
153.00676	0.8
153.01799	8.1
153.08954	2.2
153.12727	6.4
154.02144	3.1
155.01125	0.4
155.02264	1.0
155.08186	0.6
155.10602	0.8
155.14287	0.6
157.09692	8.0
157.12218	8.5
158.10048	2.6
159.02811	2.2
159.11668	3.5
161.09500	0.7
161.13228	5.1
163.03880	0.6
163.13548	0.6
163.14796	5.5
165.01662	0.5
165.12720	2.9
167.14252	1.7
169.12177	1.8
171.13770	15.9
172.11172	2.6
173.11545	1.3
173.13190	1.8
175.14774	3.4
177.05235	0.6
177.10291	0.6
177.16307	2.2
179.14276	1.8
183.13608	0.6
185.09160	3.4
186.09506	1.5
187.14766	1.9
189.09047	0.6
189.16368	4.0
191.17946	3.1
193.15884	0.9
197.12860	0.6
197.15144	0.6
199.12018	0.5
201.05359	0.8
201.16258	1.5
203.17892	2.5
205.19472	1.4
207.17337	1.7
209.18968	0.5
211.16913	3.6
213.03795	1.0
213.08699	0.5
215.17900	2.2
216.12457	0.8
217.04866	0.5
217.13362	1.0
217.19473	0.8
218.05386	0.5
219.10034	1.7
219.15248	0.5
219.17319	0.9
219.20720	0.6
220.10426	1.4
220.16878	1.5
221.19012	1.1
222.18457	0.8
223.20551	1.0
224.10112	0.6
225.18408	1.9
228.04060	0.9
229.04758	2.7
229.17917	2.0
230.05084	1.9
231.05106	2.5
231.20998	2.0
233.18890	0.7
236.10538	0.5
237.11008	0.9
237.18466	0.8
238.17940	3.7
239.18350	3.1
239.68999	1.3
240.19487	3.2
241.19734	0.8
246.04958	1.6
247.05373	1.5
248.05687	0.6
249.05908	0.6
251.19943	0.9
256.19022	0.9
257.04324	1.6
258.04742	1.7
258.12228	0.5
259.04807	1.7
259.24088	1.5
260.07446	0.7
261.08682	3.8
262.03491	0.5
262.09076	2.5
263.23596	0.7
266.08658	0.6
271.05710	0.6
271.24146	4.2
273.03766	1.4
274.04584	4.0
275.04980	2.8
276.05209	2.4
277.07761	0.5
277.25247	3.9
284.02814	0.5
285.03830	4.6
286.04181	3.1
286.15161	0.6
287.04443	2.3
287.15594	0.6
289.25226	9.9
290.25653	0.5
295.26285	8.5
301.13303	0.7
302.04166	8.9
303.04550	8.7
303.20361	0.7
304.04758	9.8
307.26266	23.7
308.26459	1.0
313.27313	5.7
317.06519	95.5
318.06851	90.0
319.07062	100.0
320.07281	4.7
325.27332	19.6
326.27176	0.7
330.14273	3.2
331.14694	3.0
343.28372	19.4
344.28720	0.8
359.07373	0.6
361.29425	5.1
415.28189	0.7
442.15979	0.8
443.15714	1.8
477.36365	1.4
478.36713	0.7
481.11710	1.0
512.21735	2.1
540.20978	2.0
555.30817	0.8
567.51044	0.5
609.23596	0.8
627.23529	18.1
627.31372	3.4
628.24036	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	627.2806
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
65.03946	1.1
67.05494	1.0
69.07051	0.9
70.06570	2.1
71.76512	0.6
75.59486	0.5
79.05482	2.2
80.04980	0.9
81.03374	0.5
81.07047	1.5
83.08595	1.0
84.08137	0.9
86.09690	1.9
89.03902	2.2
91.05457	3.3
92.28426	0.5
93.05735	0.6
93.07035	1.4
94.06549	1.7
95.04911	0.8
95.08589	1.0
96.08104	0.9
98.44341	0.5
106.06557	3.2
107.08580	0.6
108.08098	6.8
110.09708	0.6
116.04959	7.6
118.06531	1.8
120.04455	1.0
120.08089	10.7
121.29097	0.6
122.06026	1.3
122.09656	0.8
124.12025	0.6
129.39519	0.5
132.04491	0.6
132.08076	1.0
134.05991	3.6
136.07547	1.9
138.05495	1.8
138.09100	1.8
144.04427	13.2
146.05989	9.3
148.07600	5.3
150.05550	0.7
152.07059	2.8
157.08858	0.7
158.06065	0.9
160.04013	1.3
160.07547	0.7
162.05481	5.6
164.07068	7.2
166.08597	5.2
172.03915	55.2
173.04263	0.9
180.06429	0.5
183.09241	1.0
190.04993	4.6
196.09816	1.0
197.10683	2.7
198.11406	0.8
204.06544	53.2
205.06839	0.9
209.10739	1.5
210.11488	1.4
211.08603	0.6
211.12352	2.3
212.09393	0.7
212.13013	1.0
213.10231	1.9
213.13872	2.2
218.08183	1.3
220.17023	0.9
221.10818	0.6
222.18526	0.8
223.08620	0.8
223.12219	1.0
224.09372	0.8
225.10205	5.1
225.13885	1.2
226.11032	2.0
227.11797	2.0
228.12547	0.7
235.08763	0.6
237.10201	4.0
238.11032	2.5
238.18047	1.0
239.11772	11.4
239.14088	0.8
239.18541	1.1
240.12582	4.1
240.19563	0.9
241.09737	0.7
241.13351	1.8
243.15097	1.2
249.10254	2.1
250.11037	1.4
251.11771	5.3
252.12689	1.8
253.09709	1.0
253.13284	5.8
254.10327	0.6
254.14140	1.4
255.11317	1.9
255.14865	1.1
256.12070	2.5
257.12793	2.6
263.11780	2.3
264.08588	0.6
265.09744	3.5
265.13510	1.3
266.10605	0.9
267.11276	1.0
268.12085	2.3
269.12823	11.0
270.13556	3.6
271.11267	1.1
271.14325	7.3
277.09842	1.4
278.10394	0.7
279.11206	3.4
281.12946	2.0
283.10815	2.0
283.14429	11.8
283.17456	0.8
291.11087	0.9
293.12769	1.0
295.10703	0.8
296.11615	2.0
297.12247	5.8
307.10812	0.9
309.12296	3.6
311.13794	0.9
319.11456	0.6
323.10361	1.0
325.11801	2.2
337.11865	4.2
339.13599	0.8
355.12915	1.4
369.14478	1.1
381.15012	0.7
404.19971	1.3
406.21475	0.8
410.15149	0.6
418.21378	1.9
436.22345	2.2
442.17780	0.8
462.19928	0.9
470.16785	1.1
474.20245	1.3
491.34662	1.9
551.26782	2.3
553.24475	1.7
577.24377	2.0
595.25500	35.1
596.25922	1.5
627.28058	100.0
628.28375	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	627.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.0
56.05021	1.0
57.27530	0.4
58.99557	1.8
60.38784	0.4
68.05007	0.5
70.06588	5.7
71.56963	0.5
72.04482	0.6
72.08122	1.5
73.02882	0.5
74.00658	4.2
76.02214	11.6
76.03982	3.0
79.05434	0.5
80.04993	0.7
82.06572	0.9
83.06084	4.7
84.04488	16.0
84.08098	1.7
85.02885	1.2
85.04012	15.3
86.00614	1.5
86.06061	0.5
86.09673	0.8
86.99011	0.5
87.05630	0.5
88.03952	0.4
89.03914	0.6
90.05540	10.2
92.01685	13.5
95.06082	0.6
97.02844	1.3
98.00637	0.4
98.06021	0.7
99.01392	0.9
99.05566	4.0
100.02182	2.8
102.05521	0.9
105.97838	0.6
107.06052	2.4
107.99374	6.2
108.04417	0.5
109.07619	6.1
110.07139	1.8
112.02156	1.3
112.03946	9.3
113.01664	1.0
113.03482	8.4
114.05525	0.4
116.01664	4.5
117.03310	0.6
117.06578	0.6
119.01868	0.7
123.04394	0.5
123.05450	0.5
126.05488	0.9
127.05002	1.6
129.06577	2.5
129.10197	1.2
130.04982	15.0
130.06447	0.6
131.01857	0.7
131.02724	1.4
131.04494	9.6
131.98421	0.8
131.99348	9.7
135.04378	1.7
135.05487	2.5
136.03903	1.9
136.06096	0.7
136.07538	1.7
139.03209	5.0
140.01648	2.3
141.04744	1.3
142.03194	2.5
143.01924	0.5
143.08115	0.4
144.01141	3.6
144.05386	0.8
144.06531	14.5
145.02861	1.2
145.04919	0.9
145.06044	10.5
146.02635	0.7
147.04362	0.6
153.05408	0.7
153.06563	9.0
154.04932	1.2
155.01886	0.4
155.04514	0.5
155.08109	8.5
157.00613	1.5
159.02219	4.8
159.07640	2.5
160.00618	1.3
161.02921	1.3
162.02173	4.9
163.03871	8.5
164.04137	0.6
169.06061	1.2
170.02661	1.2
173.02924	0.8
176.03734	2.4
177.03262	17.0
177.99889	0.5
179.04837	4.9
181.06020	8.1
185.03775	44.5
185.26166	0.4
186.02133	0.9
186.04089	0.4
187.05354	1.0
189.01486	1.6
191.04817	23.6
193.06311	4.2
199.07074	11.3
202.04031	1.3
209.00441	1.0
211.02014	4.4
211.06966	0.7
213.03171	0.9
215.04849	0.9
217.00972	1.3
219.02567	1.2
221.05023	0.5
223.02042	3.0
225.03610	4.3
231.04295	100.0
232.04633	1.9
233.05771	2.3
235.02011	13.3
239.06516	0.7
240.97244	0.4
242.05917	1.0
245.05765	0.7
247.02011	1.2
249.03612	6.6
256.09201	1.0
257.05209	0.5
257.07657	1.1
265.03036	6.0
270.10843	0.6
270.96689	0.4
271.09207	1.6
274.10358	0.5
288.06381	4.4
302.07986	3.2
302.13336	0.9
308.09039	1.0
319.04581	1.2
322.05072	0.8
322.10626	1.0
331.12323	1.0
340.06219	0.8
354.07675	0.9
369.08902	94.9
370.09082	2.6
391.07175	0.8
409.08432	11.1
409.13611	0.8
423.09949	8.5
435.09863	2.0
448.87350	0.4
480.12103	4.8
498.13144	22.7
499.13638	0.7
520.11560	0.7
528.68176	0.5
538.12616	6.8
552.14331	4.4
609.16180	7.7
609.25244	0.5
610.16736	0.5
627.17224	7.3
627.29022	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1544
Annotation	Myricetin 3-rutinoside
Peak:m/z	Relative Intensity
55.01849	0.3
57.03427	1.6
58.23497	0.2
61.02895	0.4
68.99772	0.6
69.03419	1.1
70.06579	3.1
70.89822	0.4
71.04981	11.2
72.08133	0.5
73.02902	0.5
75.04455	0.6
81.03403	0.5
83.04947	0.6
83.56629	0.2
84.04456	0.3
84.08112	0.6
85.02891	15.4
86.09686	1.0
87.04430	0.4
97.02888	1.4
99.04429	0.4
109.02872	0.6
110.07126	0.2
111.00787	1.1
111.04402	0.7
112.08689	0.2
117.14716	0.2
120.08120	0.2
125.02299	0.8
126.03123	0.3
127.03894	1.2
127.04669	0.2
129.05457	3.2
129.10191	0.6
136.07593	0.2
137.02321	1.2
139.03893	0.3
145.04929	0.8
147.06525	1.5
153.01804	6.5
153.05330	0.2
161.05893	0.2
164.67621	0.2
165.01799	4.6
166.02621	0.2
167.03406	0.4
177.05392	0.5
179.03365	2.0
183.02907	0.5
189.05455	0.3
195.02881	2.2
199.03954	0.2
203.03363	0.7
207.02888	1.4
212.66342	0.2
217.04907	0.6
221.04413	0.5
225.16956	0.2
227.03317	0.4
229.04971	0.3
231.02960	0.4
232.03577	0.7
245.04402	3.3
249.03882	0.5
255.02882	0.5
263.05542	0.5
273.03891	7.1
283.02274	0.5
290.04254	1.5
301.03320	2.3
319.04422	100.0
320.04761	1.3
339.69281	0.2
361.05396	0.2
481.09485	0.6
626.40454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35346	0.5
55.05502	2.7
56.05015	1.2
58.06584	2.3
64.79059	0.5
65.09335	0.4
67.05489	5.6
69.07040	2.4
69.42104	4.8
70.06580	8.8
71.04971	0.9
72.08128	1.5
79.05488	2.7
81.07040	6.9
82.06580	0.7
82.49847	0.4
83.04982	0.5
83.08587	1.0
84.08110	2.0
91.05472	4.4
93.07033	2.5
94.06558	4.9
95.08582	5.3
96.08114	1.9
98.09683	2.6
105.07001	1.8
106.06574	0.5
107.07307	1.4
107.08576	1.7
108.08089	1.7
109.06456	0.5
109.08920	0.5
109.10144	3.3
110.09641	1.0
112.07584	1.6
112.28915	0.5
119.08556	0.8
120.08084	0.9
121.10111	1.1
124.11207	0.7
125.09580	0.7
133.10025	0.6
135.11653	0.8
154.12248	0.7
154.42993	0.5
190.15930	1.0
194.12769	0.4
194.15268	0.6
194.19025	1.0
212.16412	1.1
218.15353	4.6
220.16982	1.2
221.20012	0.8
222.18483	24.4
236.16418	5.6
238.18033	2.0
239.21121	0.8
240.19548	100.0
241.19725	0.5
243.85829	0.5
254.17448	0.7
266.17639	0.5
301.19675	0.6
359.30560	0.4
373.24997	3.8
475.35428	2.6
477.36829	17.5
478.36914	0.6
493.36301	46.2
494.36270	1.1
501.33130	0.6
519.34045	0.6
626.26575	1.1
626.41229	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	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
53.15747	0.1
54.84823	0.1
55.01857	0.4
55.05502	0.1
56.05013	0.2
57.03431	0.8
60.04507	0.3
61.02919	1.3
61.53190	0.1
65.92261	0.1
67.05487	0.2
68.99786	0.4
69.03422	2.5
69.07040	0.1
70.02924	0.1
70.06584	6.3
71.04983	1.2
71.06900	0.3
71.76631	0.2
72.08144	1.0
73.02902	0.6
74.06069	0.2
74.09693	0.2
79.05476	0.1
81.03408	1.4
82.06581	0.1
83.01345	0.2
83.04936	0.1
83.06068	0.2
84.04490	0.9
84.08136	1.7
85.02893	8.4
85.06493	0.1
86.09689	1.6
87.04430	0.3
87.05584	0.3
88.03967	0.2
89.03906	0.1
91.03948	0.5
91.05458	0.2
93.03400	0.2
93.07027	0.1
95.04960	0.2
97.02884	2.6
98.06050	0.2
99.04449	0.5
101.07111	0.2
102.05531	0.4
104.05326	0.1
105.07005	0.1
107.04940	0.2
109.02855	0.9
110.07146	1.0
111.00783	0.7
111.04437	0.1
112.08677	0.1
115.04958	0.2
115.08654	0.2
116.07038	0.2
117.03357	0.2
119.04921	0.3
120.08073	0.7
121.02862	0.7
121.06467	0.1
121.08382	0.1
121.10118	0.1
122.02727	0.1
122.06057	0.1
123.04389	0.3
125.07073	0.1
126.05517	0.1
127.03903	1.6
127.08681	0.4
129.05463	0.4
129.10210	1.1
130.04982	0.3
130.08611	0.2
131.08406	0.1
133.02805	0.2
135.04390	0.4
135.08018	0.2
136.07593	0.6
137.02324	2.5
137.03377	0.2
137.05975	0.7
141.10197	0.3
145.02847	0.2
145.04938	1.0
145.06032	0.1
147.04381	0.4
148.06042	0.1
149.02344	0.5
149.05930	0.2
151.07524	0.2
153.01807	3.2
153.06627	0.1
155.04755	0.1
155.08160	0.3
157.06161	0.1
161.05959	0.3
163.03888	2.1
164.04233	0.1
165.01820	2.1
165.05418	0.1
166.02563	0.3
166.07237	0.1
166.41817	0.1
169.01300	0.2
169.09711	0.2
169.13319	0.2
171.02850	0.1
173.05920	0.3
173.13152	0.2
175.07343	0.2
177.05473	0.2
179.03314	0.1
181.08493	0.2
183.02853	0.7
183.04359	0.2
183.14932	0.2
187.03831	0.2
187.07031	0.1
189.08813	0.1
191.03369	0.1
191.06868	0.1
191.14351	0.2
195.02869	0.3
195.07561	0.1
199.10750	0.1
201.05479	1.5
201.12344	0.3
203.10219	0.1
205.05000	0.1
207.02893	0.2
209.15366	0.5
210.15726	0.4
215.03214	0.1
217.04980	0.2
217.09818	0.1
219.06493	0.2
227.10207	0.2
228.04266	0.2
229.04916	3.6
230.05254	0.2
231.04298	0.1
239.03514	0.1
240.13068	0.1
242.09908	0.1
245.04488	0.3
247.05920	0.6
257.04407	2.6
273.03922	0.4
274.04724	0.8
275.05365	0.2
285.03903	0.9
290.04254	0.1
300.42557	0.1
301.03387	0.1
302.13058	0.1
303.04947	100.0
304.05255	2.7
315.04742	0.1
319.04456	8.9
320.04819	0.2
328.14862	0.1
329.13916	0.4
345.05933	0.2
447.08572	0.1
465.10233	9.9
466.10522	0.4
480.15967	0.3
571.71429	0.1
609.20093	0.2
618.30414	0.1
626.34082	0.2
626.81262	0.5
627.29230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01862	5.6
55.05496	17.8
57.03413	3.2
57.07059	6.9
58.06567	2.3
59.04994	2.1
61.02903	2.3
67.04213	2.2
67.05494	19.1
68.04976	2.2
69.03415	18.4
69.07057	100.0
70.06580	73.3
71.04972	8.1
71.06907	7.7
71.69762	2.3
71.70162	3.4
72.08137	19.4
74.00623	2.1
79.05476	9.6
80.04993	2.5
81.03394	10.2
81.06587	4.8
81.07042	66.6
82.07368	3.6
83.04961	4.9
83.08607	16.5
84.04487	5.6
84.08115	13.1
85.02893	32.4
85.06525	9.5
86.09695	51.3
87.00797	9.8
87.10019	4.4
91.05458	11.5
93.07030	24.6
94.06556	3.2
95.04940	7.8
95.08588	58.3
96.05244	2.3
96.08109	2.2
96.08905	3.7
97.02860	7.5
97.06537	9.8
97.10136	8.4
98.06045	4.1
99.04449	3.6
99.05573	2.3
99.08085	4.2
100.02193	29.4
101.05991	3.3
105.01830	6.4
105.07021	16.8
107.04894	3.1
107.08578	26.7
108.08152	3.0
108.08884	3.6
109.02843	10.2
109.06480	4.4
109.10139	40.0
110.07127	3.2
111.08046	7.2
111.11704	27.2
115.03908	2.4
119.08573	11.4
120.08089	14.2
121.10126	19.5
122.02686	3.0
123.08002	5.7
123.11679	41.4
124.12069	2.0
125.09622	4.8
127.03888	13.3
127.08662	20.8
127.11173	4.6
128.09007	4.3
128.48761	1.9
129.06857	2.1
129.10204	6.1
130.04988	2.3
131.08519	3.9
133.06488	2.4
133.10121	12.1
135.08005	2.7
135.11674	11.2
136.07539	6.4
137.09541	4.5
137.13191	9.5
139.11180	20.9
141.10229	2.4
143.08504	2.6
145.04961	3.4
145.10060	5.9
146.02686	29.5
146.11758	6.3
147.11665	6.8
149.09607	5.4
149.13260	12.1
150.13564	3.3
151.11136	4.3
151.14799	5.9
153.12747	4.7
155.08118	23.6
156.08485	5.1
157.12219	5.1
159.02844	2.4
159.11655	6.0
161.09662	2.3
161.13249	6.0
163.11205	3.1
163.14775	6.8
165.12695	5.2
167.14240	2.7
169.13329	6.8
170.13695	2.4
175.14781	2.8
177.12677	3.4
177.16336	3.4
179.14227	4.8
181.10036	2.1
181.12181	4.8
185.12993	2.2
191.17950	2.6
197.12967	4.0
213.08633	2.3
215.17969	3.0
219.20992	5.2
220.16940	9.6
222.18494	7.2
226.15474	5.0
227.15797	3.3
231.04926	2.8
235.20381	2.4
237.18428	4.0
238.17975	21.5
239.18710	9.7
239.68918	4.6
240.19592	14.5
241.19780	2.5
254.15012	5.9
255.15286	4.5
267.61850	2.1
271.24097	2.5
273.52103	2.5
277.25262	5.2
289.25229	16.9
294.25323	2.3
295.26273	42.7
303.04910	2.2
305.24780	2.8
306.25015	5.7
307.26276	97.0
308.26660	2.4
313.27313	2.4
324.26175	8.6
325.27356	34.8
340.23474	2.2
342.23755	4.0
343.24283	3.7
343.28296	11.7
360.22067	3.2
378.22858	9.9
399.25711	3.2
400.26407	10.7
415.27887	2.1
475.34952	4.6
477.36627	7.5
481.32150	4.0
485.26669	2.4
519.28809	3.0
537.30499	4.5
555.31305	3.2
626.43646	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	626.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19582	0.1
55.01861	0.3
55.05253	0.2
55.05502	2.0
56.05025	0.4
57.03429	0.2
58.06594	1.0
63.44245	0.1
65.03922	1.1
67.05490	2.5
68.05012	0.7
69.03387	0.1
69.06708	0.2
69.07058	2.7
70.06580	3.5
71.04974	0.3
71.36911	0.3
72.08166	0.2
79.05043	0.2
79.05479	2.7
80.05004	0.6
81.05804	0.2
81.07045	3.7
82.06563	1.2
83.04973	0.2
83.08614	0.7
84.04488	0.4
84.08110	0.7
85.06542	0.2
91.05465	28.1
91.52278	0.1
92.05791	0.2
93.05773	0.2
93.07026	2.4
94.06550	3.2
95.04968	0.2
95.06051	0.1
95.07326	0.5
95.08591	2.7
96.08114	4.2
97.06496	0.1
97.08910	0.2
97.10141	0.4
98.09682	0.8
105.07013	1.5
106.06511	0.5
107.07337	1.3
107.08568	1.5
108.08098	5.0
109.08893	0.9
109.10119	0.8
110.09659	1.5
112.07539	0.1
112.11193	0.1
117.06989	0.6
119.08559	0.9
120.08070	1.0
121.07636	0.2
121.08881	0.2
121.10123	0.8
122.09642	3.5
123.08047	0.3
123.10419	0.6
123.11723	0.2
124.07603	0.1
124.11225	0.9
126.09193	0.1
129.06984	0.3
131.08531	0.4
132.08029	0.2
133.10109	0.4
134.09628	0.8
135.10448	0.2
135.11678	0.4
136.07596	0.2
136.11194	0.6
138.09216	0.1
138.12729	0.1
140.10709	0.2
143.08545	0.4
145.10110	0.6
146.09581	0.2
147.10460	0.1
147.11661	0.2
149.09610	0.2
150.12762	0.4
157.10039	0.1
160.11185	0.2
161.11971	0.1
161.13188	0.2
162.12743	0.3
163.11102	0.2
164.14349	0.2
170.11778	0.3
174.12756	0.2
176.14322	0.3
178.15912	0.3
185.13242	0.3
187.14806	0.1
190.15935	0.5
192.13872	0.3
192.17462	0.9
194.15543	0.1
200.14178	0.1
202.15877	1.1
204.13837	0.2
210.14839	0.2
212.16422	0.1
218.15413	1.5
219.18474	0.3
220.16931	22.3
221.17267	0.3
222.14989	0.3
222.18491	7.3
223.18822	0.2
236.16412	1.3
238.17973	46.4
239.18390	0.7
240.19540	30.0
241.19897	0.3
247.18105	0.4
250.17975	0.2
256.19040	2.5
256.21646	0.2
258.20651	0.4
265.19034	0.1
272.50290	0.1
282.15271	0.1
310.21680	0.2
328.22577	0.5
355.23868	0.2
409.30582	0.2
459.35779	0.4
460.34259	0.3
468.32050	0.2
475.35223	2.4
476.36368	0.1
477.36798	100.0
478.37094	1.6
482.33603	0.3
484.35065	0.1
486.33096	1.0
498.63531	0.1
500.34982	1.0
519.32336	1.0
574.39709	0.2
592.40979	13.3
593.40997	0.2
626.39215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09152	2.3
53.03937	4.8
55.01858	6.6
55.05503	17.7
56.05022	4.6
57.03423	6.3
57.07061	10.4
59.04996	5.1
60.04507	5.0
65.03919	5.1
67.05495	41.4
69.03416	21.4
69.07058	34.5
70.06583	56.6
71.04987	19.2
71.06911	4.2
71.70149	2.6
72.08130	12.1
73.02913	2.7
79.05477	22.3
79.18395	1.8
81.03401	16.4
81.07041	100.0
81.07525	4.9
83.04987	10.5
83.08602	8.9
84.04488	8.0
84.08119	10.2
85.02890	50.9
85.06527	61.1
86.06085	2.3
86.06840	1.9
86.09687	25.1
87.00816	9.4
87.04478	5.7
87.05577	2.7
88.03979	2.9
91.05455	17.8
93.07030	52.2
93.07630	2.6
94.06575	4.4
95.04955	74.3
95.08594	64.4
96.08118	4.6
97.02875	11.6
97.06518	11.0
97.10165	8.6
98.06004	2.3
99.04453	10.2
99.08076	9.5
101.06008	2.2
101.07185	1.9
102.05515	2.3
103.05453	2.3
104.32822	1.9
105.01853	8.9
105.07002	29.6
107.04958	3.6
107.08567	43.2
108.08134	4.4
108.08799	2.0
109.02895	11.7
109.06487	12.8
109.10137	52.7
110.07169	7.3
111.04429	3.6
111.08052	9.7
111.11697	5.6
112.08707	2.1
113.09711	2.3
117.07020	3.7
119.08566	27.3
119.95613	1.9
120.08090	16.9
121.06522	3.2
121.10125	33.9
123.04377	4.0
123.08052	6.4
123.11681	34.2
125.05994	3.3
125.09605	18.1
127.03864	19.2
127.07570	2.4
127.11211	2.2
129.05511	5.1
129.06996	3.4
129.10225	6.3
130.04967	3.2
130.07706	2.2
131.08601	9.7
133.10095	21.1
135.08046	8.7
135.11661	25.6
136.07549	7.0
137.05965	5.5
137.09596	7.5
137.13264	7.3
139.11197	5.3
140.68732	2.0
141.09140	3.3
141.10181	3.5
143.08565	5.6
143.10661	6.5
144.09105	2.0
145.04938	5.4
145.10118	16.4
147.11655	23.0
149.09616	3.6
149.13226	18.0
151.11203	4.8
153.01781	2.7
153.12740	4.3
155.10687	3.0
157.10110	7.4
157.12199	2.9
159.02919	2.6
159.11662	14.3
161.13210	12.3
163.11179	4.3
163.14786	6.9
165.12717	5.5
167.10696	2.3
169.12190	3.1
171.11702	5.0
171.13815	5.1
173.13197	10.9
175.07503	2.6
175.11169	2.5
175.14813	5.5
177.12694	2.3
177.16402	6.0
181.12210	4.4
185.13185	5.5
187.14786	6.4
189.08995	4.9
189.16406	7.0
191.17877	2.8
199.14810	3.4
201.16339	6.6
203.17958	6.4
205.15863	2.6
207.17433	2.9
211.14528	2.2
213.16348	5.7
218.15280	2.9
219.10114	16.2
220.16867	13.7
222.18550	19.9
223.18860	4.9
227.17969	4.0
231.05051	2.8
231.17496	2.9
236.16461	4.2
237.18591	4.1
238.17978	33.5
238.68127	4.6
239.18602	8.5
240.19569	26.1
241.19975	2.6
246.17651	4.4
254.17467	3.9
256.18924	3.5
269.22629	6.3
272.18454	15.7
275.23682	5.6
276.28488	2.4
287.05466	3.6
287.23621	22.6
293.24667	19.8
302.04083	2.4
303.04947	49.6
304.05322	4.5
305.24695	60.7
306.25226	2.5
311.20905	6.2
311.25647	4.0
312.21338	2.5
317.06509	25.6
318.06967	2.8
320.21375	19.8
320.71478	5.0
323.25757	52.9
324.26175	2.2
341.26776	60.1
350.23157	2.4
359.27893	7.2
368.24255	5.0
440.22403	2.4
467.34982	2.2
475.34897	3.5
477.36520	8.0
478.37372	2.7
589.38092	5.0
607.38696	3.7
618.93176	2.4
625.30121	3.9
625.39520	12.4
639.41675	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	625.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01868	0.3
55.05509	0.3
56.05021	0.1
57.03428	1.7
58.06591	0.1
59.05000	0.1
59.74865	0.1
60.04509	0.1
61.02921	0.8
64.84221	0.1
65.03946	0.1
67.05497	0.2
68.05022	0.1
68.99799	0.1
69.03419	1.3
69.07069	0.2
70.06580	2.7
71.01356	0.1
71.04982	10.1
71.06913	0.2
71.77240	0.1
72.08144	0.3
73.02908	0.4
74.09669	0.1
75.04462	0.5
79.05486	0.2
81.03400	0.6
81.07048	0.3
82.06578	0.1
82.97628	0.1
83.04974	0.7
84.04498	0.2
84.08141	0.4
85.02892	15.9
85.06551	0.1
86.09687	0.7
87.04463	0.6
88.04079	0.1
91.03950	0.2
91.05480	0.2
92.02590	0.4
93.03412	0.5
93.07027	0.1
94.06564	0.1
95.04965	0.2
95.08621	0.2
96.08131	0.2
97.02879	1.5
99.04439	0.4
103.03899	0.1
104.07095	0.1
105.07030	0.2
107.08591	0.1
108.08112	0.2
109.02867	0.4
109.06522	0.1
110.07152	0.3
110.09668	0.1
111.00808	0.1
111.04427	0.5
119.08556	0.1
120.08095	0.6
121.02847	0.7
122.09664	0.1
126.03140	0.1
126.05541	0.1
127.03899	1.0
129.05463	3.7
129.10234	0.2
130.04932	0.1
135.04396	0.1
136.07568	0.2
137.02377	0.2
137.05960	0.1
139.03864	0.9
145.02798	0.1
145.04918	0.8
147.04413	0.1
147.06502	1.2
151.03864	0.7
153.01808	4.7
157.09729	0.1
159.09145	0.1
163.03902	0.2
163.07610	0.1
165.01817	0.4
166.02618	0.1
166.08557	0.1
173.06015	0.1
177.01933	0.1
177.05482	0.2
183.02942	0.1
183.15028	0.1
185.09254	0.1
195.13747	0.1
195.67270	0.1
196.46992	0.1
200.04633	0.2
201.05571	0.4
203.03418	0.2
205.04994	0.1
211.03966	0.1
211.14450	0.1
217.04959	0.4
218.05724	0.3
219.02872	0.1
219.10182	0.1
220.16914	0.5
221.17276	0.2
222.18559	0.4
228.04164	0.7
229.04929	2.0
229.15453	0.1
230.05373	0.1
230.18353	0.1
231.02829	0.2
233.04568	0.1
238.17969	0.7
239.18755	2.3
239.68954	1.3
240.19489	1.5
240.69153	0.1
241.19858	0.2
243.06490	0.1
245.04356	0.7
246.05247	1.1
247.18523	0.2
254.17252	0.1
256.03693	0.2
257.04413	1.9
257.07013	0.1
260.03134	0.2
261.07587	0.2
271.06018	0.2
273.03891	1.1
274.04678	3.5
283.14532	0.1
284.03207	0.4
284.16058	0.1
285.03894	3.5
286.04440	0.1
287.01889	0.1
288.06320	0.2
299.05487	0.1
302.04178	10.8
303.04733	0.5
317.06512	100.0
318.06863	3.0
319.20633	0.1
326.20651	0.2
328.21320	0.1
329.06647	0.2
359.07764	0.2
359.19827	0.1
383.07840	0.1
461.10458	0.2
477.36868	0.4
478.36966	0.1
479.11713	0.4
624.37872	0.2
625.01709	0.1
625.37946	0.2
625.86011	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	625.1754
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03940	0.2
55.01865	0.3
55.05503	0.3
57.03425	1.9
59.04995	0.1
61.02916	0.8
65.03931	0.1
67.05497	0.1
69.03421	1.2
69.58343	0.6
70.06581	0.8
71.01357	0.1
71.04980	11.0
72.05315	0.1
73.02898	0.3
75.04472	0.4
79.05488	0.1
81.03407	0.7
81.07052	0.1
83.04978	0.5
84.08123	0.1
85.02891	15.5
85.06528	0.1
86.03203	0.2
86.09702	0.2
87.04461	0.4
91.03941	0.3
92.02632	0.4
93.03391	0.6
93.07049	0.1
95.04968	0.1
95.08603	0.1
97.02879	1.2
99.04456	0.3
101.05958	0.1
103.03956	0.1
104.05318	0.2
108.08166	0.1
109.02863	0.4
111.00793	0.2
111.04428	0.4
118.06480	0.1
119.04874	0.1
120.08102	0.4
121.02854	0.6
121.06512	0.1
123.04418	0.1
126.03117	0.2
127.03883	0.8
129.05458	3.5
136.07564	0.1
137.02341	0.2
137.05887	0.1
139.03867	0.7
145.04918	0.8
147.06499	1.2
151.03900	0.5
153.01797	4.2
154.02136	0.1
163.03886	0.2
165.01756	0.4
177.05470	0.2
182.15343	0.1
183.02921	0.2
183.73802	0.1
187.03752	0.1
194.40266	0.1
200.04660	0.1
200.73808	0.1
201.05473	0.4
203.03427	0.2
210.14867	0.2
217.04893	0.4
218.05727	0.3
219.02881	0.2
220.17020	0.1
222.18483	0.2
228.04129	0.7
229.04929	2.1
230.05608	0.1
231.02782	0.2
238.18040	0.3
239.18646	0.4
239.68974	0.3
240.19423	0.5
241.20091	0.1
243.06395	0.1
245.04391	0.6
246.05199	1.2
246.09053	0.1
247.02264	0.1
256.03632	0.2
257.04410	2.0
258.05243	0.1
260.03177	0.3
261.07574	0.2
271.05984	0.1
272.18530	0.1
273.03860	1.2
274.04666	3.5
275.05035	0.1
284.03229	0.4
285.03882	3.3
286.04480	0.2
287.01859	0.1
288.06146	0.1
299.05240	0.1
302.04156	10.1
303.04721	0.9
311.21051	0.1
317.06494	100.0
318.06842	4.8
320.21393	0.2
383.07507	0.1
479.11902	0.4
532.12897	0.1
625.30164	0.3
625.41217	0.1
626.24103	0.1
641.88068	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	625.175
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
52.66508	0.1
53.03930	0.2
55.01863	0.3
55.05502	0.3
57.03429	1.8
59.04983	0.1
61.02915	0.5
64.99714	0.1
67.05488	0.1
69.03417	1.4
69.67703	0.8
70.06577	1.3
71.01392	0.1
71.04981	11.4
72.05318	0.1
72.08140	0.3
73.02898	0.4
75.04465	0.6
81.03419	0.6
81.07057	0.1
83.04956	0.6
84.04491	0.2
84.08135	0.1
85.02890	15.3
86.09689	0.4
87.04468	0.5
91.03934	0.2
91.60751	0.1
92.02615	0.4
93.03387	0.5
96.08139	0.1
97.02875	1.4
98.20805	0.2
99.04424	0.3
108.85394	0.1
109.02826	0.3
110.07169	0.3
110.57003	0.1
111.00787	0.1
111.04419	0.4
120.08063	0.2
121.02843	0.6
126.03091	0.2
127.03904	0.9
129.05453	3.8
135.04378	0.1
136.07555	0.1
137.02327	0.2
139.03854	0.7
145.04941	0.8
147.06494	1.1
151.03870	0.6
153.01804	4.5
163.03903	0.2
165.01761	0.5
168.02283	0.1
177.05449	0.2
183.02884	0.2
190.25247	0.1
200.04657	0.1
201.05380	0.5
203.03348	0.2
217.04964	0.3
218.05664	0.3
220.16875	0.2
228.04169	0.8
229.04926	2.5
231.02879	0.2
238.17946	0.5
238.68170	0.2
245.04422	0.6
246.05229	1.0
256.03683	0.2
256.19061	0.1
257.04443	1.8
260.03159	0.4
261.07590	0.2
271.06042	0.3
273.03894	1.3
274.04678	3.3
284.03091	0.4
285.03897	3.5
286.04453	0.2
287.01968	0.1
288.06223	0.1
299.05188	0.1
301.03445	0.1
302.04163	10.5
303.04578	0.5
317.06500	100.0
318.06839	3.7
329.06641	0.2
359.07535	0.4
383.07510	0.1
427.10577	0.2
461.10608	0.2
463.12164	0.2
479.11420	0.6
535.44946	0.1
625.26599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50133	0.6
53.03927	1.0
54.83823	0.6
55.01843	1.3
55.05501	6.2
57.03431	0.7
57.07057	4.6
65.03923	1.0
67.05497	6.6
69.03417	5.0
69.07063	20.2
70.06577	5.1
70.50890	2.2
71.04974	2.1
71.08604	1.8
72.08142	0.8
73.02902	0.9
79.05478	3.2
81.03399	1.8
81.07043	24.4
83.04957	1.0
83.08602	12.3
84.04464	1.3
84.08118	1.4
85.02890	4.6
85.06519	1.4
86.09691	2.3
87.00814	1.7
87.04449	0.8
88.53593	0.5
91.05465	6.2
93.07030	11.2
95.04949	2.4
95.08595	21.3
97.02869	2.1
97.06519	2.1
97.10153	4.3
99.04417	1.2
105.01809	1.4
105.07001	7.8
107.08578	14.8
109.02837	2.3
109.06480	2.4
109.10134	17.4
110.07178	0.7
111.08047	2.8
111.11686	2.8
117.06983	1.4
119.08570	6.6
120.08047	1.7
121.06487	1.8
121.10126	16.2
122.09663	0.6
123.08043	1.7
123.11677	10.7
125.09581	1.0
127.03893	2.7
127.07560	0.6
131.08530	1.9
133.10097	12.0
135.08012	1.3
135.11671	6.8
137.09589	10.7
137.13216	4.6
138.41246	0.6
139.07594	1.0
139.11156	1.1
143.08563	1.4
145.04994	0.8
145.10100	1.6
147.08008	2.4
147.11644	5.1
149.09567	3.2
149.13240	6.5
151.11171	1.4
151.14758	1.1
157.10098	1.5
159.02863	0.8
159.11687	1.8
161.09593	13.2
161.13235	3.5
163.11169	1.8
163.14790	1.4
165.09096	7.7
165.12759	1.3
167.10666	5.7
167.14296	1.4
170.80936	0.8
171.11633	1.0
173.13309	1.3
175.11201	3.2
175.14795	3.0
177.16315	1.6
179.10641	5.8
179.17992	0.7
181.12253	3.3
189.16295	1.9
191.17897	1.5
193.12207	4.1
199.14891	1.0
201.16254	0.7
203.14201	1.0
203.17967	1.2
205.19501	1.3
209.18953	1.2
213.16306	1.5
219.17471	1.1
220.17004	1.1
222.18498	1.0
222.22937	0.6
229.19437	0.7
231.17313	0.9
235.16925	1.1
237.18565	0.7
238.17970	5.8
238.68185	0.9
239.18701	1.3
240.19583	2.4
245.22647	3.5
249.18414	1.5
259.24170	2.5
261.25687	0.8
269.22659	2.1
277.25256	1.2
287.23608	4.3
305.24692	17.4
323.25754	100.0
324.26208	2.0
325.23386	0.6
339.09894	3.3
341.26810	42.4
342.27289	0.7
359.27826	9.8
385.10162	1.2
475.35492	1.4
477.35864	0.6
590.39404	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	624.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30958	0.3
53.03941	0.4
53.48289	0.3
53.65396	0.3
55.01854	0.3
55.05496	1.0
56.05027	0.5
57.03432	5.0
57.07063	0.9
58.99571	0.9
59.05002	0.5
60.04518	0.8
61.02915	1.5
67.05486	1.0
69.03420	28.5
69.07053	2.2
70.02937	0.5
70.06584	6.2
71.01345	0.5
71.04976	0.9
71.06909	0.4
72.08138	1.9
73.02909	9.0
74.06046	0.7
76.02215	2.6
79.05482	1.3
81.03401	0.7
81.07045	3.4
83.04970	2.0
83.08607	0.5
84.04481	2.0
84.08143	2.9
85.02431	0.4
85.02898	6.3
85.06526	1.3
86.09700	3.6
86.99038	0.7
87.04456	0.7
87.05581	0.5
88.03994	0.7
91.05461	1.5
93.07040	2.8
95.04929	0.5
95.08598	4.8
97.02883	5.4
97.06506	2.0
99.04466	0.5
100.02188	1.5
102.05527	0.6
103.62249	0.3
105.00068	1.2
105.07002	2.3
107.04917	0.4
107.08583	7.8
109.02833	0.6
109.06506	3.7
109.10152	1.9
110.07152	1.2
110.33797	0.3
111.08070	3.0
115.03925	2.5
119.04906	0.5
119.08552	2.4
120.08085	1.0
121.06496	1.4
121.10132	8.8
122.02714	18.3
123.08028	2.3
123.11697	6.1
125.09616	13.4
125.10555	0.6
126.05475	0.3
127.03913	1.6
129.10252	1.6
131.08549	3.0
132.01178	0.4
133.04933	0.3
133.10124	3.0
135.08043	7.9
135.08936	0.3
135.11670	3.9
136.07549	2.1
137.05939	0.3
137.09589	0.4
137.13179	0.3
143.08577	0.4
144.09334	0.5
145.02843	0.7
145.04922	1.0
145.10120	2.2
146.02682	1.0
147.04358	0.7
147.07799	0.3
147.11678	2.3
149.09608	4.7
149.13260	2.5
151.11195	0.8
153.09103	4.9
158.10893	1.7
161.09607	0.5
163.03871	2.4
163.05934	0.4
163.11130	1.6
163.14796	3.9
164.03845	0.8
165.12708	2.0
167.05275	0.8
167.10681	2.4
172.04187	0.4
173.13243	15.4
177.05354	0.6
188.03749	0.4
191.14284	54.9
192.14751	0.8
197.09947	0.6
200.03773	1.5
209.15341	100.0
210.15704	1.2
212.10478	0.3
213.09038	0.3
218.04790	1.2
223.11543	2.6
241.12534	6.8
248.05969	0.7
254.06961	1.4
256.63315	0.4
259.08044	0.4
266.06912	0.5
284.08008	0.3
317.02817	2.4
330.17297	22.1
339.08594	0.4
371.20416	0.9
372.18579	0.5
444.20981	0.4
462.21432	0.9
470.85916	0.3
474.21494	0.5
492.15482	0.5
492.22586	9.8
507.75714	0.6
547.61444	0.3
605.92151	0.3
606.26373	0.4
623.82922	0.4
624.26447	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	623.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50247	0.4
53.03911	1.1
55.01834	1.5
55.05498	5.3
56.04991	1.4
57.03397	1.4
57.07037	0.4
57.15540	0.4
58.06572	0.9
59.04954	0.9
60.04476	1.4
61.02878	1.2
65.03910	0.7
67.05494	6.1
68.04987	1.0
69.03411	3.3
69.07060	6.7
70.02927	0.8
70.06581	27.7
71.01309	0.6
71.04981	2.5
71.06908	0.6
72.08141	5.1
73.02867	0.6
74.06043	0.7
79.05481	5.6
80.04970	1.4
81.03361	1.5
81.07042	10.8
82.06579	2.6
83.04942	1.2
83.08574	1.6
84.04475	2.9
84.08134	5.2
85.02886	5.4
85.06535	2.1
85.90541	0.5
86.09690	9.6
87.00788	1.1
87.04443	0.5
87.05518	0.6
87.09985	0.6
88.03967	0.7
89.02316	0.5
91.04998	0.4
91.05457	4.7
93.03400	0.4
93.07035	6.6
94.06551	4.9
95.04960	3.8
95.07297	0.6
95.08598	6.6
96.07567	0.6
96.08109	7.7
97.02843	2.0
97.06520	2.9
97.10130	1.9
98.05950	0.4
98.09670	0.7
99.04403	1.4
99.08031	1.2
101.07079	0.7
102.05513	0.4
103.03931	0.5
103.05421	0.8
104.05286	1.1
104.07087	0.6
105.01830	1.0
105.07009	5.4
106.06522	0.7
107.04901	1.5
107.07334	3.7
107.08567	6.5
108.08100	10.7
108.08861	0.7
109.02835	1.9
109.06500	2.9
109.08898	0.7
109.10132	3.7
110.07101	2.0
110.09653	2.1
111.04381	1.9
111.08101	2.8
111.11640	0.5
112.08645	0.4
117.06950	1.3
119.04942	0.5
119.08560	3.5
120.06624	0.4
120.08081	10.0
121.06456	0.8
121.10110	3.9
122.05974	0.7
122.09652	5.9
123.04385	1.0
123.07998	1.6
123.10391	0.9
123.11658	1.6
124.07552	0.9
124.11176	2.0
125.06023	0.7
125.09600	1.7
127.03903	2.3
127.07559	1.0
127.08624	1.9
127.11113	0.5
129.05432	0.6
129.06946	0.9
129.10208	3.0
130.06514	1.0
131.04855	0.5
131.08553	2.4
132.08067	1.2
133.10100	2.6
134.09601	1.2
134.10510	0.6
135.08029	1.3
135.11649	1.9
136.07576	2.9
136.11121	0.8
137.05957	4.1
137.09567	0.9
138.09059	0.7
139.11124	1.1
141.10210	0.5
143.08498	1.5
143.10612	0.9
144.08025	0.7
145.04912	0.6
145.10039	2.1
146.09650	0.8
147.04337	1.7
147.11591	1.7
148.07487	0.7
149.02333	0.5
149.09500	1.0
149.13226	0.7
151.07460	0.5
151.11115	0.8
153.09047	0.5
155.08165	1.9
157.09962	1.7
157.12169	0.6
159.02878	0.6
159.09116	2.3
159.11644	1.0
160.07408	0.5
161.05981	0.6
161.09523	0.8
161.13173	1.0
163.03860	0.9
163.07498	1.0
163.11154	1.8
164.06984	0.6
165.09042	0.5
165.12694	0.6
166.08586	0.8
169.09840	0.7
169.13347	0.6
170.11711	0.8
171.11514	0.9
172.10898	0.5
173.09482	0.6
173.13150	1.0
174.12727	0.6
175.07474	1.4
175.11127	1.0
175.14769	0.9
177.05429	0.5
180.13741	0.5
185.09270	0.5
185.13174	0.6
187.14833	0.8
190.15840	1.5
191.14331	0.5
192.13815	1.1
192.17407	2.0
193.12230	0.7
197.12921	0.6
199.14775	0.5
200.14125	0.5
201.12387	0.6
202.15846	1.7
203.14328	0.5
204.13725	0.7
205.15741	0.7
215.13734	0.5
218.15361	5.4
219.18488	1.7
220.16925	40.1
221.11658	1.1
221.17220	2.0
222.14839	1.1
222.18468	4.4
225.12596	0.5
232.16879	0.7
235.16719	0.5
236.16411	5.1
238.17973	78.2
238.68141	1.8
239.18475	6.3
239.68961	1.1
240.19550	9.7
241.19884	1.1
248.16524	0.8
250.17921	2.0
253.17839	1.4
256.19025	5.8
260.16312	1.1
264.15887	0.8
266.17468	1.9
278.17532	3.1
279.15826	0.7
280.18964	1.1
285.22183	0.7
286.17813	0.5
287.05316	0.9
296.18509	6.3
303.23154	3.0
306.01889	0.5
314.17575	0.6
315.05023	0.6
321.24173	5.9
332.18533	1.1
339.25220	2.0
350.19385	1.1
368.20630	1.3
368.24597	0.5
386.21301	1.3
458.23654	0.6
475.35260	11.8
476.35248	1.0
477.36539	1.9
501.33191	0.8
515.34808	7.7
516.33765	0.7
533.35809	9.9
534.36005	1.0
557.36285	0.6
569.35876	3.7
587.36749	9.5
605.37946	9.7
606.37695	0.9
623.38861	100.0
624.28448	0.6
624.39197	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	623.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01865	0.3
55.05508	3.6
56.04770	0.4
56.05028	4.7
57.03418	0.4
57.05792	0.3
58.06582	0.7
60.04508	0.4
60.08155	11.8
61.01138	2.3
65.88148	0.3
67.05486	0.9
68.05019	2.8
69.03405	0.6
69.07066	1.4
70.02934	0.6
70.06580	14.5
71.04982	2.5
71.06914	0.5
71.71833	0.3
71.72206	0.3
72.08144	29.2
73.02886	0.5
73.08473	0.4
74.02424	0.5
74.06068	1.2
79.05478	0.4
81.03401	0.3
81.07046	0.5
83.06097	0.5
84.04491	2.8
84.08132	29.4
85.02894	3.1
85.04015	0.4
85.06519	1.3
85.07661	0.3
86.09695	17.3
87.05585	1.7
88.03989	2.3
90.05508	0.3
91.05467	8.0
93.07031	1.0
94.06576	0.5
95.04955	0.3
95.06088	0.3
95.08596	0.5
96.04491	1.3
96.05027	0.3
96.08108	0.9
98.02385	0.8
100.03972	0.8
101.07114	0.9
102.05516	1.2
103.05435	2.2
104.05297	2.1
105.07045	0.5
107.04957	0.7
108.08102	0.9
110.07143	1.7
110.09662	0.5
112.08732	0.3
113.07111	24.3
113.10726	0.5
115.08669	0.7
116.07066	0.4
118.06525	0.7
118.45536	0.3
119.04929	6.5
119.08586	0.5
120.08088	70.4
121.08427	0.8
121.10027	0.4
122.09650	0.6
124.03894	0.5
124.11244	0.4
126.05493	0.3
127.03946	0.3
127.08677	1.4
129.05519	0.7
129.06558	0.4
129.10223	2.3
130.05054	0.4
130.06525	0.8
130.08618	10.9
130.09598	0.6
131.04916	0.5
132.08081	0.7
133.06070	7.7
134.09631	0.3
136.07558	74.5
137.05974	0.4
137.07901	1.1
138.09134	1.2
141.06535	1.8
141.10220	2.5
142.08626	0.4
143.15450	0.4
144.13809	1.6
145.02771	0.3
155.08138	0.4
155.11774	0.5
156.10178	2.2
161.07419	6.5
163.03941	0.4
163.07529	0.4
169.13304	0.5
173.13130	0.5
175.08946	0.7
175.14471	0.9
183.11275	2.0
183.14888	0.4
184.09653	0.8
185.09142	0.4
186.62700	0.3
187.10922	0.4
189.06900	5.9
189.15942	5.3
190.12212	0.4
191.14325	0.4
195.11438	0.3
197.12854	0.4
199.07222	0.3
199.14391	0.5
201.12311	22.0
202.12772	0.3
203.11830	0.4
206.08167	0.3
206.09984	0.7
207.11327	0.5
209.15324	0.3
215.10277	1.3
219.14932	2.8
220.16890	2.4
229.11786	9.6
229.15550	1.0
231.11340	0.5
232.12880	7.8
232.15164	0.4
235.14357	5.7
235.16612	0.4
236.16580	0.5
238.17986	3.4
240.19576	1.3
241.19977	0.3
247.14584	0.3
247.21434	0.3
251.12228	1.4
251.14583	0.3
253.19031	0.4
256.19058	0.8
259.14462	0.4
260.14154	1.6
263.13947	4.1
288.13504	0.7
288.22964	0.4
291.11609	1.2
315.04697	0.3
319.16351	0.4
328.18439	0.4
335.19745	0.6
336.13797	1.2
347.15933	2.9
347.76407	0.3
353.69519	0.4
354.19763	0.6
374.17258	0.6
378.16577	0.8
392.18097	24.2
393.18262	0.9
395.19238	2.7
395.70349	0.7
396.19476	0.8
404.21783	0.4
463.25348	1.3
475.35211	1.5
491.24976	4.4
525.14423	0.3
591.29236	1.8
605.38348	1.3
623.35718	100.0
624.26990	0.6
624.36096	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.05353	0.3
57.07002	1.4
59.04935	1.0
69.07009	0.3
69.49458	3.5
71.08545	1.4
81.07014	0.4
85.10117	0.8
89.05944	1.5
89.35996	0.3
95.08513	0.5
116.46742	0.3
133.08534	0.7
370.85995	0.4
390.17947	0.5
391.19202	0.6
403.19257	0.7
404.20187	0.7
413.17776	0.7
414.18359	0.5
415.19186	1.8
416.19836	1.0
417.21106	0.5
418.17377	0.5
419.17673	0.8
419.22256	1.3
427.19437	0.9
428.19824	0.9
429.20895	5.1
430.21521	1.3
431.18457	1.2
432.19095	1.0
433.19492	1.1
433.23895	1.2
434.20670	0.6
442.21637	0.5
443.22421	3.8
444.23590	2.9
445.19016	0.5
445.23901	1.3
447.22418	2.3
448.21973	0.7
449.22882	1.4
456.19147	0.8
457.19141	0.6
457.23883	1.6
458.25177	2.5
459.21265	3.9
460.22638	2.2
461.19440	1.6
461.23602	1.4
462.20474	2.1
463.21075	0.8
470.20685	0.6
471.21603	1.1
472.22385	4.1
473.23849	2.5
474.20074	0.8
475.20969	1.4
476.21869	2.7
477.22638	3.4
485.23380	5.4
486.23923	1.2
487.25058	3.5
489.22510	1.5
503.24493	2.7
504.25122	0.7
513.22498	0.7
517.26062	3.4
519.23688	1.3
520.24628	0.9
521.22156	1.4
531.23822	4.9
535.25836	1.3
545.25409	47.9
546.25854	2.4
548.23541	0.7
562.24744	0.5
563.26196	16.5
564.26837	0.8
577.27618	0.6
591.26050	0.8
595.29102	0.6
605.27460	4.1
623.28485	100.0
624.28912	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86193	0.3
63.85263	0.3
67.05492	0.2
67.54006	0.2
70.55148	0.9
76.23728	0.3
78.42255	0.3
81.07029	0.3
84.41846	0.3
88.35754	0.3
98.21520	0.3
104.74883	0.3
107.08546	0.3
133.10101	0.3
140.88240	0.3
157.51343	0.3
160.52895	0.3
170.08397	0.3
177.56252	0.3
185.19708	0.3
202.35744	0.3
214.20879	0.3
223.12283	0.4
228.49118	0.3
247.12622	0.3
249.19708	0.3
311.13974	0.4
312.14713	0.5
352.29483	0.4
389.17618	1.3
390.18243	0.4
391.19180	0.4
401.17535	0.8
402.18533	1.1
403.19305	1.7
404.20020	0.8
405.20944	1.2
410.97937	0.3
415.19308	1.2
416.20123	0.8
417.16986	1.5
417.20972	1.7
418.21783	0.8
419.22461	4.0
428.15744	0.4
429.16989	1.0
429.21762	0.5
430.17615	0.9
430.22409	0.5
431.18533	2.4
431.22720	2.1
432.19138	1.4
433.20251	2.8
435.21771	0.8
443.18665	3.1
444.19128	1.5
445.20081	7.6
446.20975	4.6
447.22052	4.3
448.22812	0.4
449.23767	1.4
450.24149	0.4
457.20258	1.0
458.21454	0.3
459.21890	3.4
460.22464	0.6
461.19073	1.3
462.20187	1.5
463.21030	2.0
473.23410	1.0
475.20801	1.6
476.21970	4.7
477.22794	4.8
478.23672	0.6
489.22946	1.8
490.23297	0.6
491.20239	0.5
501.23117	0.5
503.24304	1.0
505.22348	1.0
505.26932	0.4
519.24255	0.4
521.21375	1.5
531.23511	0.5
533.25403	13.5
534.25751	0.6
535.23151	0.4
535.27130	0.3
545.25507	1.2
561.25018	0.7
563.26465	19.3
564.26514	1.0
590.25104	0.4
591.25775	0.4
592.26416	0.6
593.27448	3.9
605.27222	1.0
623.28546	100.0
624.28943	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.1
67.05505	0.7
69.59116	1.8
69.59543	3.2
71.08612	0.5
73.41842	0.5
85.10168	1.0
89.06061	0.9
93.49662	0.6
98.20723	0.8
183.09261	0.7
197.57578	0.6
237.13899	0.6
293.75381	0.6
389.17560	0.7
391.19116	1.2
402.18512	0.8
403.19278	1.8
404.20346	0.7
405.20944	1.7
407.22220	0.7
415.19183	1.2
416.20190	0.7
417.21164	1.4
418.27310	0.8
419.22922	2.8
429.20981	1.0
430.17419	1.3
431.18414	2.0
431.23389	1.0
432.18787	0.8
433.20096	4.4
434.20773	0.7
443.18085	1.4
444.19565	1.7
445.19965	5.0
446.20935	3.0
447.21857	3.9
448.22653	1.4
449.23386	0.7
458.20816	4.6
459.21619	4.4
460.22607	4.2
461.19629	1.1
462.20578	0.8
463.21399	1.2
473.23334	1.0
476.21765	1.1
477.22726	2.3
491.24448	0.7
503.24219	0.8
504.25430	1.0
505.22137	1.8
518.22760	3.2
521.22125	1.0
532.24707	1.4
533.25562	5.6
535.27631	1.7
540.42175	0.6
545.25098	3.3
546.26453	0.8
562.25476	0.6
563.26508	9.0
573.25037	0.9
605.27600	10.5
623.28589	100.0
624.29034	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.5
69.58848	0.5
71.74566	0.5
71.78972	0.8
79.81847	0.5
87.04446	0.7
92.38012	0.4
94.06597	0.4
104.07086	1.1
108.04449	0.5
134.58388	0.5
168.79320	0.5
179.86569	0.4
183.09201	0.6
196.09911	1.0
197.10725	1.0
207.08954	0.5
208.09863	0.8
209.10677	3.0
210.11554	1.4
211.12302	2.0
221.10707	0.6
222.11386	0.7
222.66382	0.5
223.08730	0.6
223.12236	3.5
224.09525	0.7
224.13025	4.8
225.10110	0.8
225.13818	1.4
235.08728	0.6
235.12474	0.7
236.05650	0.7
236.09425	0.6
237.10170	2.8
237.13795	2.7
238.14745	0.6
239.11655	0.7
239.15445	2.1
249.10275	1.1
251.08206	0.6
251.11974	0.9
252.12590	0.7
253.13374	0.8
261.13803	0.8
265.09830	0.7
265.13409	2.9
266.14005	0.7
277.09732	1.0
296.11551	0.5
297.12381	0.8
299.15372	0.5
311.13687	2.5
314.16565	0.5
337.12033	1.0
405.16519	0.8
405.20950	0.6
417.16745	0.8
418.17447	0.6
419.18381	2.5
420.19519	0.6
431.18619	1.8
433.20248	2.5
445.20337	1.5
446.21198	0.8
447.22311	0.6
449.23315	1.2
461.19876	1.6
463.21353	1.3
475.20889	0.9
476.21881	3.0
477.22833	3.9
489.23175	1.1
503.24973	0.7
520.24811	1.0
523.27002	0.5
531.23901	0.9
533.24823	0.9
534.22809	1.0
535.26746	2.6
548.23804	2.9
563.26471	26.5
564.26947	1.7
591.26105	5.4
595.29016	1.3
623.28564	100.0
624.28723	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09990	0.4
57.67458	0.4
69.84422	2.3
69.84855	0.7
89.06020	0.6
98.21430	1.0
110.19504	0.4
145.41765	0.5
168.86716	0.5
198.71324	0.5
206.31432	0.4
208.83229	0.5
375.16013	0.8
388.16721	0.5
389.17667	2.6
390.18198	1.3
391.19205	2.3
403.19397	3.3
404.20099	1.3
405.20721	8.5
406.21497	1.3
416.20160	0.5
417.16547	6.3
417.21805	0.7
418.17233	2.1
419.18396	3.2
431.18353	5.3
432.19397	5.9
433.20020	8.4
434.21393	0.7
435.21951	0.7
443.18164	0.6
445.20593	2.8
449.23535	0.6
459.21832	1.8
461.19275	2.1
463.21313	1.9
475.21484	1.6
476.22089	3.0
477.23108	4.3
487.21329	0.7
489.22968	1.3
491.24460	1.0
503.24539	0.8
505.22012	0.8
519.23859	21.0
520.24725	1.1
521.21222	0.7
535.27362	0.6
547.23181	0.6
548.24371	0.5
551.26660	0.5
563.26495	14.4
564.26428	0.8
579.26105	5.7
591.25427	0.6
605.27057	0.6
623.28571	100.0
624.28986	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45177	0.8
57.07065	2.8
62.14589	0.7
69.07061	1.7
69.97398	2.5
69.97831	2.5
71.08627	2.8
73.02896	1.9
76.20093	0.8
76.94242	0.8
79.05448	0.7
85.10184	1.5
87.04454	2.3
89.06027	10.5
94.11493	0.9
95.08587	1.6
98.20843	1.2
107.07026	0.9
122.50587	1.0
126.92863	0.9
130.08578	1.0
133.08578	4.9
177.11237	2.6
221.13824	1.2
243.65688	0.8
246.73897	0.9
376.17078	0.8
377.17767	1.2
388.18063	1.0
391.18958	2.1
392.19739	2.0
393.20410	1.2
399.16208	0.9
399.43265	0.8
401.17807	1.2
404.20529	1.4
405.20813	2.9
406.21552	2.4
407.22211	9.5
413.17444	1.2
414.18457	1.7
415.19376	3.7
419.22455	1.0
420.23111	1.9
421.23868	10.3
422.24393	1.9
427.19022	2.0
428.20038	2.4
429.20828	9.0
430.21808	1.7
442.21680	1.9
443.22574	4.7
444.22971	3.9
456.19543	1.4
457.19043	1.2
457.24200	2.7
458.25003	4.2
459.22058	5.5
460.22632	2.0
461.19016	4.2
463.22162	0.9
472.22766	5.0
473.23718	1.4
475.21097	5.0
476.22165	2.9
477.22809	3.0
478.23785	1.4
484.18909	1.0
485.23495	11.0
486.19666	1.4
486.24887	1.2
487.20309	1.1
488.21613	1.5
489.22849	2.4
499.20993	4.2
500.22025	2.0
503.24673	6.2
513.23053	3.0
514.23840	1.5
515.23950	1.2
517.26379	7.3
529.26465	1.7
531.24298	1.2
535.27148	6.1
545.25439	65.9
546.25995	4.3
559.22980	1.2
563.26624	2.3
573.24866	16.2
605.27545	80.2
606.27930	3.5
621.85846	1.0
623.28564	100.0
624.28943	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	623.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22938	1.3
59.88072	1.1
69.63232	3.0
69.63644	8.4
80.44064	1.0
98.21485	2.1
115.19738	1.1
123.06336	1.1
128.07518	1.2
190.63350	1.3
364.44980	1.2
404.19821	1.1
433.20425	1.4
447.17664	1.7
448.18460	1.5
461.19257	2.1
462.20288	2.1
463.21185	3.2
475.21011	1.8
476.21884	3.6
477.22980	3.4
478.24036	1.3
504.20358	1.2
535.24072	3.7
536.23743	3.2
547.27167	1.4
549.24933	3.1
550.25323	1.7
563.26294	8.7
564.26971	3.8
591.25812	7.2
594.24738	4.5
595.29144	2.7
605.27887	2.3
608.25903	1.9
623.28406	100.0
624.28253	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	1.2
69.94233	3.7
71.08624	1.1
85.10175	0.7
133.72806	0.7
159.41365	0.7
160.98579	0.5
241.09698	0.5
390.18210	1.2
391.19421	1.1
405.20828	3.0
417.21030	0.7
418.18243	0.9
419.18164	0.9
420.22894	1.0
429.20767	1.9
433.19785	3.3
443.22424	1.0
444.23520	0.8
447.17859	7.4
448.22580	2.4
449.23419	2.7
459.22125	2.1
460.22485	1.1
461.19205	6.6
462.20197	1.1
463.20862	1.2
472.22495	1.3
473.23337	1.7
475.21329	1.0
476.21973	18.7
477.22675	3.6
479.20770	1.6
485.23407	1.4
487.24850	1.9
503.24405	1.2
517.26044	1.0
519.23944	1.9
521.22418	0.8
527.72925	0.7
531.23767	2.9
545.25360	13.3
563.26331	9.4
591.25854	0.6
605.27417	2.4
623.28516	100.0
624.28674	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	622.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68445	0.4
55.05497	0.6
55.83200	0.4
57.00277	0.5
60.98715	0.5
61.24163	0.4
61.52214	0.4
63.99905	0.5
65.03926	2.4
67.05489	0.5
69.07031	0.7
70.06580	2.3
70.88808	1.5
79.05492	0.7
81.07047	1.0
82.84992	0.5
84.08112	0.8
86.09692	0.6
91.05470	22.5
94.06574	1.9
95.08605	1.1
105.06992	0.5
107.07318	1.3
107.08580	0.5
108.08109	2.0
119.08588	0.5
120.08118	1.0
121.02823	0.7
122.06998	0.5
122.09670	1.4
128.04016	4.3
136.11229	0.7
139.03972	0.6
141.04790	1.0
141.97104	0.4
143.08507	0.5
149.02333	19.6
149.03410	1.1
150.02664	6.2
150.03738	0.8
155.06335	0.7
175.03889	0.6
176.14308	0.5
179.06400	2.5
180.07159	1.1
183.09496	1.1
184.07323	0.8
193.04953	10.4
193.07918	1.6
194.05338	4.3
196.10303	1.0
197.07474	0.5
204.13904	0.9
207.09499	0.9
218.15411	1.6
219.09518	0.5
220.16943	6.0
233.07460	0.6
234.14934	0.8
236.16431	1.0
237.07603	1.8
238.07881	1.0
238.17929	2.7
242.10887	1.3
248.13422	1.0
270.57803	0.7
271.62460	0.5
277.13629	5.0
294.14117	2.5
295.14734	5.7
312.15298	0.9
313.15720	3.5
342.06989	0.7
351.20834	0.6
367.18338	1.2
385.19424	10.5
386.09464	0.7
403.20462	18.9
404.20578	0.5
430.12640	0.5
498.33133	1.3
516.29358	1.0
530.30316	0.9
578.13721	3.8
604.35858	1.0
605.35327	0.5
620.35059	4.7
622.16437	14.9
622.36639	100.0
623.16602	1.6
623.37097	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	621.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01875	0.6
55.05510	1.4
56.05027	2.5
57.03423	0.3
59.04997	0.7
65.03969	0.3
65.69946	0.3
67.05501	2.0
68.05822	0.2
68.99783	0.2
69.03417	1.6
69.07056	2.0
70.06586	4.8
70.66249	0.5
70.66642	0.4
71.04979	0.8
71.06924	0.3
72.08142	1.0
79.05474	1.1
81.03394	1.1
81.07045	2.5
82.06562	0.6
83.04980	0.6
83.08629	0.7
83.71313	0.2
84.04507	0.7
84.08133	100.0
85.02888	3.3
85.06532	0.8
85.08478	0.5
85.86137	0.2
86.09692	7.7
87.00830	0.7
87.04464	0.4
91.05466	1.3
93.07030	1.5
94.06557	0.3
95.04954	1.2
95.08600	1.9
96.08144	0.5
97.02887	0.8
97.06516	0.6
97.10146	0.3
98.06023	0.3
99.04455	0.5
101.07100	0.3
102.09202	0.2
103.05496	0.4
105.01842	0.4
105.07017	0.8
107.04979	0.2
107.08564	1.4
108.08109	0.8
109.02849	1.1
109.06516	0.6
109.10129	1.2
110.06059	0.3
110.07165	0.6
110.09660	0.2
111.08092	0.5
112.07578	0.7
116.10716	0.3
116.88465	0.2
119.08585	0.7
120.08088	6.9
120.08937	0.5
121.06519	0.3
121.08414	0.3
121.10106	1.1
122.09612	0.5
123.08057	0.6
123.11695	0.5
125.09647	0.3
127.03871	1.1
128.07060	1.1
128.10718	2.5
129.10245	2.3
130.08627	9.0
131.08556	0.3
133.10127	0.7
135.07994	0.3
135.11694	0.6
136.07567	0.8
137.06009	0.3
137.09598	0.6
143.08534	0.3
145.04935	0.6
145.10089	0.6
147.04343	0.4
147.11258	3.8
148.07556	0.3
149.09674	0.3
149.13315	0.3
151.11093	0.3
156.10147	1.2
157.10069	0.3
159.02962	0.3
161.09525	0.4
163.11209	0.4
164.07060	0.5
165.09120	0.4
166.08627	6.1
167.10710	0.4
173.09619	0.5
173.13152	0.5
176.10751	0.6
189.12720	0.3
197.90092	0.2
208.36734	0.2
219.11336	0.2
220.16930	1.3
222.18562	0.4
230.66666	0.3
238.17981	3.1
239.18518	0.4
240.19527	1.5
244.17949	0.2
255.11349	0.3
292.26318	5.6
301.11835	0.7
301.21588	0.3
305.36761	0.2
310.27420	1.0
319.22775	0.4
321.18069	0.3
337.23752	0.4
355.29507	18.3
373.30569	38.3
374.30914	1.0
397.30704	0.3
401.31683	0.6
415.31790	0.3
419.32495	0.4
445.30423	0.4
463.31747	1.0
475.35345	0.4
477.36752	0.3
487.35025	0.4
543.27417	0.2
567.32605	0.6
585.34070	0.3
603.34833	0.6
621.36407	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	621.2696
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
65.60598	0.3
71.21270	0.4
71.21613	0.7
75.00758	0.3
86.06050	1.0
87.04466	1.9
88.04807	0.4
93.16573	0.3
94.57682	0.3
96.83144	0.3
104.07092	4.8
105.07457	0.5
121.10139	0.4
132.25479	0.3
149.02312	0.4
162.71571	0.3
207.09323	0.3
238.17946	0.4
324.15250	0.3
328.74396	0.3
348.15128	0.3
375.16232	1.1
387.16614	0.5
388.16843	0.5
389.17502	2.7
390.18417	1.2
391.19116	0.8
401.17798	1.1
402.14078	0.4
402.18533	1.0
403.19330	4.1
404.20187	1.8
405.20792	1.9
415.15729	0.4
416.16116	1.0
416.20667	0.7
417.17044	3.5
417.21121	2.0
418.17648	1.0
418.22198	0.6
419.22382	6.6
420.23074	1.0
429.16797	0.4
430.17242	0.6
431.17941	5.4
432.19064	2.5
433.20157	2.7
443.18881	0.5
444.19452	0.7
445.20053	6.3
446.20929	5.6
447.21649	8.1
457.20193	0.4
459.17642	1.1
459.22141	1.4
460.23340	0.6
461.19836	1.4
463.21341	0.4
473.18527	0.6
473.24002	0.7
474.20245	5.8
475.21164	8.0
476.21811	0.6
477.23117	0.5
487.21478	3.2
487.35080	0.6
488.21747	0.5
489.22849	0.4
491.20813	1.1
492.25018	0.5
501.22943	1.8
502.23639	0.5
504.21805	0.5
505.25900	1.0
518.23047	0.6
519.20184	0.6
529.21918	0.6
533.25476	14.4
534.25745	0.9
546.21942	0.4
561.24939	20.7
562.25488	1.2
589.24115	1.0
593.27307	3.8
621.26990	100.0
622.27411	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31569	0.2
69.63651	0.9
69.64081	1.1
79.73696	0.2
114.49020	0.2
123.93923	0.2
152.66061	0.2
212.16666	0.2
221.10658	0.5
222.11299	0.2
224.07463	0.2
230.27583	0.3
249.10103	0.2
251.11618	0.4
286.13110	0.2
322.13574	0.2
324.14856	0.5
348.14737	0.2
359.11920	0.3
363.16479	0.3
373.14566	0.3
374.15115	0.4
375.15985	1.0
376.17590	0.3
386.16232	0.4
387.15970	0.8
388.16898	1.1
389.12967	0.4
389.17566	4.2
390.18387	1.5
391.18991	0.7
399.15863	0.4
400.17596	0.3
401.13132	0.3
401.18109	1.1
402.18903	1.5
403.19345	5.8
404.19931	3.1
405.20688	1.9
415.14685	0.4
415.19208	0.8
416.16150	1.5
416.20432	0.9
417.16745	2.9
417.20782	3.8
418.17221	0.7
418.22260	1.3
419.22342	8.3
420.22705	0.7
429.16479	0.5
429.21143	0.5
430.16956	1.6
431.17990	7.1
431.23230	0.8
432.18994	2.6
433.19864	1.5
443.18356	1.2
444.19250	0.8
445.20102	7.4
446.20874	5.1
447.21732	10.7
448.22125	0.8
457.20264	0.5
459.17456	1.3
459.21906	2.2
460.18414	0.8
461.19656	1.0
463.21030	0.4
472.18985	0.4
473.19412	1.7
473.23834	1.1
474.20313	10.7
475.21182	15.7
476.21442	0.8
477.22479	0.4
486.20517	0.3
487.21341	3.9
488.21970	1.7
489.22797	0.4
490.23837	0.3
491.20285	0.4
492.24686	0.3
501.22733	2.3
502.23410	0.6
503.20685	0.3
504.21115	0.3
505.26569	1.3
517.22363	0.4
518.22705	0.4
519.22681	0.3
520.24420	0.4
529.22357	1.0
532.67834	0.3
533.25482	10.7
534.25446	0.8
546.22528	1.0
561.24884	69.6
562.25165	3.6
589.24530	1.8
593.27661	2.7
621.26971	100.0
622.27332	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	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.67744	0.2
69.92837	1.5
77.50323	0.2
78.82851	0.2
86.10927	0.2
88.45123	0.3
111.66597	0.2
134.29134	0.2
286.29785	0.2
352.14212	0.3
373.14368	0.3
374.15457	0.4
375.16040	0.6
387.16299	0.5
388.16699	0.8
389.17551	1.5
390.18329	0.8
391.18997	0.6
394.19247	0.2
401.18073	0.4
402.18488	0.9
403.19479	2.8
404.19897	1.4
405.20782	1.5
415.19662	0.3
416.16040	0.9
416.20438	0.7
417.17059	2.3
417.21051	1.7
418.16946	0.4
418.21552	1.0
419.22464	5.2
420.22861	0.6
429.16785	0.3
430.17834	0.8
431.18097	4.7
431.23569	0.4
432.18884	2.2
433.19928	1.9
445.20157	4.1
446.20914	4.8
447.21747	7.2
448.22641	0.5
459.21628	1.8
460.18127	0.5
461.19693	0.7
473.18518	0.3
473.23428	1.1
474.20322	4.2
475.21164	5.9
476.21933	0.3
477.22537	0.3
478.23505	0.3
487.21240	2.2
488.21872	0.5
491.21033	1.2
492.25400	0.3
501.22784	1.5
502.23297	0.5
505.26855	1.0
518.22833	0.3
519.20001	0.4
529.22430	0.6
533.25446	13.1
534.25537	0.8
546.22968	0.3
561.24890	19.6
562.25262	1.5
565.28430	0.4
589.24536	0.9
593.27686	2.7
621.27002	100.0
622.17126	0.4
622.27246	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	620.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55830	3.8
53.00281	2.9
53.03935	4.1
55.01859	13.7
55.05496	13.3
57.03421	12.2
61.02914	4.4
65.03944	5.3
67.05499	37.6
68.54524	3.6
69.03426	52.8
69.07050	12.1
69.54221	34.3
70.06580	4.0
71.04977	6.2
73.02907	6.9
79.05486	26.8
81.03404	23.8
81.07051	43.5
83.04969	7.7
83.08612	4.5
85.02895	100.0
86.09644	4.0
91.05471	21.6
93.07031	40.8
94.45534	3.5
95.04926	9.0
95.08594	36.4
97.02883	37.0
97.06512	3.5
97.10131	5.0
97.53745	3.1
99.04444	12.7
101.02375	5.9
105.07041	27.7
107.04963	3.8
107.08577	21.3
109.02866	11.1
109.06503	4.9
109.10142	17.9
111.08035	4.7
113.21419	3.3
117.07001	15.3
119.08565	20.4
121.06526	4.8
121.10135	22.1
123.04404	5.7
123.08049	6.5
123.11654	5.5
125.09654	3.2
127.03899	61.2
129.06995	12.0
131.08546	22.6
133.10094	17.1
135.08095	3.2
135.11696	14.7
143.08522	10.4
145.04959	29.6
145.06067	3.8
145.06523	3.3
145.10117	13.2
147.11699	19.9
149.02348	24.2
149.13219	8.9
155.08524	6.9
157.10097	12.0
159.11678	13.3
161.13300	5.6
163.05969	3.9
163.11218	3.4
163.14915	4.6
169.10071	4.8
171.11684	8.1
173.09615	4.2
173.13220	11.9
175.11203	4.3
175.14700	3.7
180.08636	9.9
181.10182	4.6
183.11665	4.8
185.09628	3.3
185.13225	7.7
187.14771	7.0
193.04932	11.3
195.11670	4.0
197.13383	4.0
199.14836	8.2
243.21111	3.9
259.20786	3.5
261.22083	11.6
277.21613	7.0
279.23132	4.6
285.22028	4.2
291.23245	7.1
299.23425	3.7
301.21588	4.1
303.23117	8.1
316.01321	3.7
341.24600	10.1
351.23196	12.2
369.24243	29.4
387.25275	45.4
405.26187	38.7
423.27359	11.1
469.34241	3.7
621.15802	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
54.93064	1.8
55.01861	6.5
55.05252	3.0
55.05502	43.5
57.07058	7.1
59.04995	2.4
62.98344	1.8
65.03928	4.4
67.05161	2.8
67.05490	30.0
67.99798	1.7
69.03420	13.9
69.07057	17.8
69.60059	18.0
71.04982	9.6
74.32571	2.0
75.80190	2.0
79.05048	3.2
79.05480	40.2
80.06246	2.1
80.48714	1.7
81.07045	46.6
82.07344	1.8
83.04968	16.8
83.08128	4.0
83.08605	66.0
85.02898	2.7
85.06531	8.8
87.04440	6.2
91.05461	54.1
93.07025	65.0
94.07359	2.0
95.04953	32.2
95.08032	3.8
95.08589	39.0
97.06522	27.4
97.10122	2.3
99.04436	5.6
99.08007	2.5
103.05443	3.2
104.07062	4.3
104.10720	7.4
105.07013	100.0
107.04932	8.1
107.08579	72.5
109.06490	16.6
109.10132	30.0
111.08044	10.4
113.05979	2.8
113.09634	13.9
115.05441	6.7
116.06234	4.0
117.07001	26.5
119.08562	86.3
120.09366	3.8
121.06525	11.0
121.09299	4.1
121.10123	55.8
123.08051	17.1
123.11687	7.7
125.06001	2.7
125.09593	19.3
128.06213	12.5
129.06982	21.5
130.07784	10.2
131.08549	50.6
132.09294	6.0
133.06461	4.6
133.10106	47.9
134.10905	3.3
135.08029	11.5
135.11667	11.7
137.09599	9.5
139.11176	16.0
141.06960	10.3
142.07761	30.7
143.08537	50.5
144.09297	14.2
145.06461	7.4
145.10101	76.3
146.07266	2.7
146.10909	4.1
147.08017	14.9
147.11678	24.0
148.12373	2.9
149.09621	16.9
149.13266	2.4
151.07492	2.9
153.06995	4.3
153.12704	2.7
154.07748	6.2
155.08525	19.7
155.10579	16.7
156.09306	18.7
157.10107	68.4
158.10831	9.0
159.08038	17.7
159.11664	39.7
160.08826	11.8
161.09596	14.7
161.13249	5.8
163.11171	7.5
165.06987	6.9
165.09045	3.3
165.12724	2.7
166.07823	2.4
167.08511	8.5
167.10651	23.3
167.14288	2.5
168.09317	7.7
169.10104	40.0
169.12233	2.3
170.10898	9.4
171.08096	3.1
171.10167	5.7
171.11629	35.3
172.08815	2.5
172.12405	5.6
173.09550	12.9
173.13226	18.5
174.10309	2.2
175.11186	11.4
175.14807	2.3
177.12669	4.6
179.08519	13.5
179.14282	7.8
180.09285	6.5
181.10104	23.2
181.12207	26.6
182.10950	16.6
183.08080	2.2
183.11662	26.4
184.12398	5.6
185.09608	4.7
185.13242	25.3
186.13968	5.5
187.11192	8.5
187.14723	10.4
189.12733	8.4
190.13499	3.4
191.14259	10.0
192.09236	4.6
193.10110	19.0
194.10883	8.7
195.11676	27.6
196.12430	10.6
197.09628	3.6
197.11479	2.7
197.13243	39.9
198.13998	5.9
199.11150	7.7
199.14833	17.4
200.11884	2.6
201.12715	4.6
201.16396	2.3
203.14305	8.3
205.10115	5.2
206.10864	10.1
207.09805	3.3
207.11646	22.7
207.13765	6.7
208.12509	10.3
208.14349	3.1
209.13251	22.0
209.15193	3.2
210.13931	7.0
211.11179	5.5
211.14798	21.9
212.15608	3.7
213.12703	8.6
213.16347	7.5
214.13434	3.1
215.14276	22.4
217.15897	5.4
218.10904	4.4
218.16623	3.3
219.11696	7.5
220.12387	6.3
221.13206	14.1
221.15355	24.6
222.13954	4.8
223.14801	18.4
224.11867	2.0
224.15466	3.2
225.12656	8.2
225.14806	16.5
225.16469	6.6
227.14258	9.0
229.15952	5.2
231.11673	5.8
231.17369	4.3
232.12402	2.8
233.13190	6.0
233.15323	45.8
234.13998	3.3
234.16014	4.2
235.14844	12.4
235.16850	3.6
236.15584	2.6
237.12660	2.7
237.16479	14.8
238.16975	2.5
239.14291	3.4
239.17879	5.6
241.15811	5.6
243.11771	4.1
244.12416	3.9
245.13155	5.5
245.15350	3.2
246.13899	3.8
246.16170	3.4
247.14728	8.8
247.16812	9.8
248.15565	3.3
249.16219	11.2
250.17224	3.6
251.17828	7.1
252.18674	3.9
253.15828	4.6
253.19427	2.7
254.16563	2.3
255.17387	39.7
257.13187	3.4
257.18869	3.8
259.14810	5.5
260.15485	3.2
261.16339	12.0
262.17294	2.4
263.17966	8.5
265.15982	2.5
265.19440	5.4
267.17441	4.5
268.18195	4.8
269.18875	6.0
270.19666	10.4
271.20566	5.1
273.18436	6.5
275.17908	7.1
277.19382	3.6
279.17438	2.4
281.19006	6.6
282.19711	4.9
283.01898	10.4
283.20471	5.8
285.18451	6.6
286.19177	7.0
287.17484	3.3
287.20291	2.8
289.19363	5.1
291.21146	3.0
294.19769	3.5
295.20346	3.7
298.19278	2.7
299.20224	11.0
300.20853	2.2
311.20102	3.5
312.20844	2.9
313.21619	2.9
315.20831	2.5
326.22437	2.2
327.21082	2.4
329.22592	4.0
331.24350	2.8
335.23563	4.6
337.25256	8.2
341.22919	2.2
345.21875	3.1
347.23526	3.8
349.25247	7.2
360.24487	3.2
364.24237	2.1
365.24756	8.6
367.26175	7.2
373.25595	2.9
383.25793	20.6
399.26675	6.0
401.28284	3.5
429.31586	3.0
439.29865	2.7
457.31088	4.9
490.34250	2.5
508.35092	2.3
582.39862	5.5
600.41846	4.6
618.22705	2.5
618.42694	25.9
619.27887	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.9
52.79275	1.6
53.03928	6.1
53.94715	1.3
55.01856	4.8
55.05503	51.9
57.07073	9.6
58.99546	1.7
59.04993	3.6
63.53014	1.4
65.03924	5.6
67.05496	33.8
68.06384	1.5
69.03420	13.8
69.07059	24.8
70.28778	7.7
71.04993	8.4
71.08619	4.0
73.06534	1.7
77.21919	1.9
79.05040	2.8
79.05481	37.1
80.06271	3.3
81.07047	53.8
83.04971	19.3
83.08608	74.7
85.02872	2.4
85.06105	1.4
85.06526	9.6
85.10179	2.5
87.04453	8.9
89.06019	5.5
91.05471	58.5
92.05750	2.5
93.07034	69.6
95.04958	33.4
95.08025	2.8
95.08596	38.1
97.06515	24.0
97.10155	3.5
99.04454	5.7
103.05441	3.7
104.07104	3.3
105.04554	1.8
105.07021	100.0
106.07878	1.7
107.04939	9.4
107.08580	72.8
108.09380	1.5
109.06506	19.9
109.10145	30.8
111.04496	2.1
111.08064	5.5
113.06011	4.1
113.09633	11.6
115.05437	7.0
116.06198	2.9
117.07010	25.0
118.07787	2.2
119.08569	90.8
120.09362	2.0
121.06496	12.1
121.10126	60.6
123.08038	22.2
123.11700	7.0
125.09608	25.7
128.06210	15.7
129.07001	21.2
130.07793	12.2
131.08556	46.8
132.09326	8.7
133.06511	5.0
133.08601	3.4
133.10114	53.2
134.08897	2.0
134.10852	2.2
135.08057	16.2
135.11676	10.0
137.09596	7.0
139.11189	19.1
141.06955	11.9
141.09094	2.4
142.07764	32.9
143.08553	55.2
144.09314	12.6
145.06496	6.2
145.10104	78.8
146.10869	2.4
147.08058	13.1
147.11673	25.2
149.09599	14.7
149.13243	4.2
151.11169	4.7
153.07005	3.9
153.09032	1.8
153.12729	3.1
154.07741	5.8
155.08556	22.1
155.10605	17.5
156.09331	26.1
157.10118	64.9
158.10907	9.4
159.08051	17.9
159.11676	41.2
160.08791	12.7
161.09581	13.6
161.13222	5.7
163.11150	9.6
165.07007	8.7
165.09135	2.8
165.12775	3.3
166.07748	4.4
167.08572	14.0
167.10661	23.4
168.09341	7.8
168.11220	3.0
169.10123	32.2
169.12250	2.7
170.10931	13.2
171.08109	2.9
171.10167	5.2
171.11653	39.9
172.12358	4.9
173.09627	11.5
173.13228	19.1
174.10368	2.0
174.13600	2.0
175.11143	16.3
175.14807	3.6
177.09029	1.8
177.12755	3.0
178.07690	2.0
179.08536	14.5
179.14296	11.0
180.09311	6.1
181.10126	22.7
181.12224	32.9
182.10869	19.0
183.08089	2.5
183.11650	29.6
183.13542	2.2
184.12450	8.2
185.09616	6.6
185.13234	30.1
185.50311	2.1
186.13998	3.1
187.11154	8.4
187.14827	11.8
189.12724	8.2
190.13498	5.2
191.08688	2.4
191.14326	10.8
192.09325	3.7
193.10144	15.8
193.11894	2.8
194.10851	11.2
195.11661	25.2
195.13486	2.6
196.12445	14.1
197.09627	3.9
197.13245	41.2
198.13925	5.8
199.11209	9.7
199.14777	16.2
201.12721	5.5
201.16327	4.9
202.13446	3.5
203.14284	6.1
205.10168	5.1
205.12167	2.4
205.15794	3.3
206.10896	8.0
207.11665	15.3
207.13786	9.1
208.12447	11.0
208.14526	5.4
209.09796	2.0
209.13274	28.1
209.15257	4.6
210.10399	2.3
210.13951	6.9
211.11369	3.0
211.12996	2.3
211.14806	23.4
212.11868	2.1
212.15283	3.3
213.12717	7.3
213.16283	8.3
215.14296	21.7
217.09964	3.7
217.15886	4.1
218.10927	3.7
218.16624	4.7
219.11708	6.6
219.13707	2.0
220.12451	6.8
221.13213	18.7
221.15373	20.3
222.13979	6.5
223.11156	3.7
223.14764	15.3
225.12691	6.1
225.14822	17.9
225.16481	7.0
227.14291	8.4
227.17967	2.8
229.15848	3.5
230.10858	1.7
231.11662	4.3
231.13791	2.9
231.17439	3.9
232.12404	3.0
233.13208	10.3
233.15366	46.3
234.13998	4.9
234.16013	5.6
235.14833	14.8
235.16907	3.1
236.15517	4.0
237.16505	12.3
238.17264	2.5
239.14310	4.3
239.18004	3.8
241.15845	4.6
243.11629	2.0
243.17482	1.9
244.12387	2.6
245.13226	6.0
246.13971	4.2
246.16176	3.8
247.14769	6.5
247.16991	4.6
248.15616	3.9
249.16382	11.8
250.17107	2.0
251.14293	3.6
251.17937	4.5
253.15781	4.1
253.19632	3.2
255.17427	36.8
257.19034	4.4
259.14816	5.3
260.15433	3.5
261.16400	10.4
262.17096	3.8
263.17889	6.4
264.15207	1.7
265.15884	2.9
265.19528	7.6
267.17444	4.4
268.18164	3.1
269.18942	7.2
270.19766	10.7
271.14655	2.0
271.17358	2.3
271.20551	5.0
273.16013	3.6
273.18469	6.9
274.16803	2.7
275.17853	5.2
277.19315	2.8
279.17496	2.1
281.19012	7.8
282.19733	7.5
283.20587	5.8
285.18484	5.4
286.19199	5.7
287.17404	2.9
287.20047	5.4
289.19385	3.8
293.19119	2.3
294.19675	3.1
295.20535	4.0
296.21100	2.7
298.19229	3.5
299.20282	7.7
300.20767	2.2
307.20377	3.0
308.21307	2.3
309.22159	2.9
311.20038	3.4
312.20776	2.3
313.21561	2.7
315.20908	2.2
321.22214	2.1
322.22635	2.3
331.24289	3.5
333.22296	2.2
334.22604	2.9
335.23773	4.5
337.25040	8.1
347.23642	6.3
348.24377	3.1
349.25259	6.0
351.23178	2.7
359.23615	2.3
360.24365	4.3
361.25214	3.2
363.23148	2.2
365.24719	10.4
367.26309	6.5
375.26672	3.2
378.25659	2.6
381.25848	2.5
383.25787	18.5
399.26761	3.1
414.29028	4.4
429.31558	2.8
457.30722	3.3
471.32523	4.2
475.32178	2.1
487.32446	2.1
490.34555	3.7
526.35870	2.1
573.95300	1.9
582.40375	4.9
585.38843	2.5
600.41498	7.3
618.42798	25.2
619.28674	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01859	6.0
55.05502	51.3
57.07061	13.5
59.05544	2.8
59.51768	2.6
63.43630	3.0
65.03940	4.5
67.05492	31.5
67.73516	2.7
69.03421	14.3
69.07052	21.3
71.04987	8.7
71.76353	5.6
79.05484	36.7
81.07040	47.4
83.04973	20.3
83.08609	68.8
85.06557	7.5
87.04447	7.5
91.05468	49.2
93.07034	67.1
95.04955	40.8
95.08592	42.9
97.06519	31.7
97.09531	2.9
97.10151	3.2
99.04478	4.9
99.08090	3.5
103.05444	2.9
103.95459	3.2
104.61271	2.6
105.07012	100.0
107.04984	5.8
107.08578	76.1
109.06515	21.5
109.10139	30.9
110.10446	4.2
111.08078	8.5
113.09624	19.1
113.92988	3.0
115.05416	6.9
117.06997	24.3
119.08565	79.8
121.06508	6.7
121.10129	59.5
123.08062	22.4
123.11720	7.9
125.05940	3.7
125.09628	20.0
128.06232	13.9
129.07005	21.0
130.07761	12.1
131.08545	44.6
132.09314	6.0
133.06476	4.9
133.10112	62.4
135.08044	16.0
135.11697	11.9
136.06197	6.6
137.09596	9.0
139.11154	19.4
141.06969	9.2
142.07761	26.6
143.08534	46.1
144.09308	12.6
145.06488	7.8
145.10101	84.7
147.08031	14.9
147.11667	23.9
149.09602	10.8
151.11209	5.1
153.06955	6.5
153.12770	4.0
154.07695	4.3
155.08542	21.8
155.10641	24.1
156.09354	23.5
157.10117	65.4
158.10840	9.3
159.08038	12.4
159.11667	35.5
160.08833	13.4
161.09598	14.6
161.13290	6.1
163.11203	9.9
165.07004	6.8
165.09076	7.5
166.09404	3.1
167.08551	13.1
167.10675	20.7
167.14299	5.1
168.09361	6.9
169.10088	30.6
170.10863	10.6
171.10208	6.1
171.11609	39.9
172.12402	7.0
173.09689	11.6
173.13220	18.5
175.11185	12.3
175.14796	6.2
179.08537	8.9
179.14389	8.9
179.36955	3.3
180.09370	8.7
181.10139	20.2
181.12180	31.6
182.10912	13.9
182.12584	7.0
183.11665	25.2
184.12433	4.5
185.09610	4.8
185.13287	21.1
186.14073	5.6
187.11194	5.9
187.14832	10.4
189.12698	6.7
191.14291	8.8
192.09334	6.4
193.10139	15.6
194.10886	10.6
195.11678	23.5
196.12350	8.7
197.13197	40.4
198.13844	5.3
199.11227	3.9
199.14783	17.4
201.12785	5.4
201.16386	4.9
203.14326	7.3
205.10213	5.1
206.11034	9.7
207.11691	17.2
207.13612	6.7
208.12427	8.3
208.14363	4.4
209.13258	28.0
209.15150	6.3
210.13933	4.4
211.11230	2.9
211.14832	19.9
212.15379	3.7
213.12698	4.6
213.16414	6.2
215.14288	20.0
217.15906	3.9
218.16658	4.8
219.11719	5.3
220.12445	7.2
221.13234	16.0
221.15414	31.6
222.13864	6.2
222.15775	4.6
223.14799	16.9
223.16742	3.6
224.15443	3.2
225.12816	6.6
225.14514	15.7
225.16629	6.4
227.14394	7.8
227.17911	3.3
229.15828	3.7
231.11726	6.3
232.12447	5.3
232.14604	4.2
233.13232	7.6
233.15329	45.7
234.16080	4.6
235.14784	10.5
237.12637	6.7
237.16499	15.4
239.14453	4.0
246.13991	4.3
246.16252	6.3
247.14661	5.6
247.16957	6.9
249.16353	7.4
251.17967	6.1
253.15903	5.2
255.17418	35.0
259.14752	8.2
261.16364	11.4
263.17926	5.5
265.19507	3.7
268.18338	4.2
269.18930	8.8
270.19769	10.5
271.20612	5.7
273.18558	6.1
275.17795	5.4
277.57690	3.7
281.19003	6.7
282.19678	7.8
285.18503	6.9
286.19150	6.0
289.19531	5.4
295.20627	5.2
299.20050	12.3
300.20709	3.9
325.21753	3.4
327.23404	3.0
334.22556	3.7
337.25177	5.8
345.21869	3.2
347.23636	4.5
349.25281	4.7
361.25266	4.5
365.24606	8.7
367.26346	3.6
380.52432	3.1
383.25760	16.2
399.26822	3.6
457.31042	5.1
514.33142	3.4
555.28033	3.4
564.39618	4.4
582.40637	5.0
600.41669	6.3
618.42700	33.6
619.25775	3.5
619.57874	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	618.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01855	3.5
55.05501	24.2
57.07069	9.7
59.04999	2.9
65.03937	2.5
67.05495	15.3
69.03420	8.9
69.07060	6.5
69.58376	6.9
69.58784	2.4
71.04972	3.2
76.49002	1.1
79.05475	14.7
80.05798	1.5
81.07040	24.5
83.04971	7.1
83.08610	34.7
84.08955	2.0
85.06529	4.4
87.04446	18.7
91.05464	23.6
91.06017	1.7
93.07029	28.4
94.07337	1.8
95.04958	17.1
95.08596	19.1
96.05327	1.3
97.06517	13.8
98.20786	2.6
99.04446	3.1
103.05446	2.5
105.07016	41.7
107.04941	3.2
107.08584	34.1
108.08907	2.8
109.06491	10.1
109.10143	11.6
110.06861	1.5
111.08099	3.8
113.09632	3.4
115.05443	3.5
116.06210	1.5
117.07000	11.7
119.05009	2.0
119.08565	42.4
120.09409	2.4
121.06496	6.9
121.10119	20.1
121.18140	1.1
122.07323	1.4
122.10493	1.8
123.08044	14.3
123.11697	3.1
125.05978	4.3
125.09610	7.3
128.06172	5.8
129.06973	10.2
130.07771	3.7
131.08551	26.9
132.09351	3.4
133.06509	2.7
133.10103	21.7
135.08028	12.6
135.11644	6.6
136.08809	1.7
137.05949	1.4
137.09618	7.1
139.07539	1.5
139.11183	6.4
141.06999	5.2
142.07779	12.6
143.08546	20.0
144.09349	8.6
145.06468	3.8
145.10100	39.6
146.10686	1.7
147.08012	13.8
147.11676	9.0
148.08763	1.1
149.09589	10.3
151.07526	6.7
151.11099	1.6
153.09138	1.8
155.08549	10.6
155.10648	4.9
156.09337	8.9
157.10109	36.2
157.11322	2.6
158.10854	7.1
159.08018	5.4
159.11670	19.9
160.08806	7.6
160.12132	1.8
161.09602	8.6
161.13257	4.3
163.07581	1.3
163.11189	8.7
165.06985	3.0
165.09084	22.5
167.08508	4.4
167.10719	2.7
168.09299	3.4
169.10121	12.0
170.10837	3.9
171.07933	1.9
171.10168	1.5
171.11636	18.8
172.08772	1.3
172.12361	4.7
173.09653	5.7
173.13283	8.4
175.11127	9.3
175.14815	2.6
177.12773	2.1
178.09850	1.4
179.08600	4.2
179.14297	2.9
180.09203	2.8
180.11482	1.2
181.10138	7.3
181.12198	12.3
182.10817	3.8
182.12532	1.8
183.11658	14.9
184.12294	2.6
185.09657	2.9
185.13298	7.6
186.13918	2.1
187.11142	5.4
187.14830	2.9
189.12773	6.6
190.13503	4.8
190.51845	1.2
191.10712	1.7
191.14273	4.1
193.10126	3.8
193.12273	5.6
194.10806	4.4
194.12970	1.3
195.11664	11.0
195.13582	2.0
196.12357	5.0
197.09497	2.2
197.13249	13.4
198.13773	2.6
199.11186	4.3
199.14835	3.8
200.15457	2.0
201.12701	4.6
202.13461	1.7
203.14281	11.6
206.10864	1.7
207.11699	6.7
207.13799	7.5
208.12326	4.9
208.14568	10.9
209.13232	9.3
209.15280	3.0
210.13882	2.7
211.11221	1.8
211.14771	8.5
212.11888	1.4
212.15382	1.8
213.12743	4.2
214.13542	1.2
215.14322	2.2
216.14732	1.6
217.10089	1.3
217.15950	1.3
219.11781	2.4
219.13802	3.7
221.13245	5.6
221.15318	51.1
222.13803	2.7
223.11401	1.3
223.14740	5.6
224.15446	2.9
225.12759	2.6
225.14832	10.0
225.16747	1.8
227.14301	1.9
227.17941	2.3
229.15816	2.5
231.13806	3.6
233.13306	1.7
233.15344	8.2
234.14017	2.3
234.16089	10.4
235.14784	2.8
237.12744	3.6
237.16405	3.4
239.14220	2.5
239.17845	1.3
243.13739	2.1
243.17497	1.5
245.13190	1.7
245.15387	1.7
246.16103	2.2
247.14809	2.5
247.16942	7.6
249.16405	3.6
251.14291	1.5
251.17987	2.6
252.18515	1.5
253.15837	2.4
259.17020	2.4
261.16199	1.5
261.18604	1.8
263.17801	1.2
265.15894	1.8
267.17441	2.3
268.41827	1.3
269.18829	2.5
271.17014	1.7
273.18515	2.6
274.19229	2.7
279.17651	1.4
281.18878	2.3
283.17026	1.9
285.18530	1.7
286.19342	6.2
287.20047	35.5
297.18488	2.6
299.20068	11.9
300.20779	2.9
303.19492	2.7
309.18555	1.4
311.20078	2.1
312.20840	3.9
313.21478	3.4
319.20477	2.9
325.21561	12.0
329.21155	5.3
337.21561	6.9
339.23114	2.8
352.23911	63.3
353.24460	3.6
365.24625	13.0
367.26416	1.3
391.25919	1.6
395.25854	2.9
432.30005	1.3
438.31146	3.2
472.31903	6.7
480.32010	1.6
511.34537	1.4
525.35852	8.0
526.36084	2.5
538.36432	100.0
539.36591	4.8
600.40747	2.6
603.39655	1.4
618.42487	20.5
644.48041	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	618.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01855	3.5
55.05501	24.2
57.07069	9.7
59.04999	2.9
65.03937	2.5
67.05495	15.3
69.03420	8.9
69.07060	6.5
69.58376	6.9
69.58784	2.4
71.04972	3.2
76.49002	1.1
79.05475	14.7
80.05798	1.5
81.07040	24.5
83.04971	7.1
83.08610	34.7
84.08955	2.0
85.06529	4.4
87.04446	18.7
91.05464	23.6
91.06017	1.7
93.07029	28.4
94.07337	1.8
95.04958	17.1
95.08596	19.1
96.05327	1.3
97.06517	13.8
98.20786	2.6
99.04446	3.1
103.05446	2.5
105.07016	41.7
107.04941	3.2
107.08584	34.1
108.08907	2.8
109.06491	10.1
109.10143	11.6
110.06861	1.5
111.08099	3.8
113.09632	3.4
115.05443	3.5
116.06210	1.5
117.07000	11.7
119.05009	2.0
119.08565	42.4
120.09409	2.4
121.06496	6.9
121.10119	20.1
121.18140	1.1
122.07323	1.4
122.10493	1.8
123.08044	14.3
123.11697	3.1
125.05978	4.3
125.09610	7.3
128.06172	5.8
129.06973	10.2
130.07771	3.7
131.08551	26.9
132.09351	3.4
133.06509	2.7
133.10103	21.7
135.08028	12.6
135.11644	6.6
136.08809	1.7
137.05949	1.4
137.09618	7.1
139.07539	1.5
139.11183	6.4
141.06999	5.2
142.07779	12.6
143.08546	20.0
144.09349	8.6
145.06468	3.8
145.10100	39.6
146.10686	1.7
147.08012	13.8
147.11676	9.0
148.08763	1.1
149.09589	10.3
151.07526	6.7
151.11099	1.6
153.09138	1.8
155.08549	10.6
155.10648	4.9
156.09337	8.9
157.10109	36.2
157.11322	2.6
158.10854	7.1
159.08018	5.4
159.11670	19.9
160.08806	7.6
160.12132	1.8
161.09602	8.6
161.13257	4.3
163.07581	1.3
163.11189	8.7
165.06985	3.0
165.09084	22.5
167.08508	4.4
167.10719	2.7
168.09299	3.4
169.10121	12.0
170.10837	3.9
171.07933	1.9
171.10168	1.5
171.11636	18.8
172.08772	1.3
172.12361	4.7
173.09653	5.7
173.13283	8.4
175.11127	9.3
175.14815	2.6
177.12773	2.1
178.09850	1.4
179.08600	4.2
179.14297	2.9
180.09203	2.8
180.11482	1.2
181.10138	7.3
181.12198	12.3
182.10817	3.8
182.12532	1.8
183.11658	14.9
184.12294	2.6
185.09657	2.9
185.13298	7.6
186.13918	2.1
187.11142	5.4
187.14830	2.9
189.12773	6.6
190.13503	4.8
190.51845	1.2
191.10712	1.7
191.14273	4.1
193.10126	3.8
193.12273	5.6
194.10806	4.4
194.12970	1.3
195.11664	11.0
195.13582	2.0
196.12357	5.0
197.09497	2.2
197.13249	13.4
198.13773	2.6
199.11186	4.3
199.14835	3.8
200.15457	2.0
201.12701	4.6
202.13461	1.7
203.14281	11.6
206.10864	1.7
207.11699	6.7
207.13799	7.5
208.12326	4.9
208.14568	10.9
209.13232	9.3
209.15280	3.0
210.13882	2.7
211.11221	1.8
211.14771	8.5
212.11888	1.4
212.15382	1.8
213.12743	4.2
214.13542	1.2
215.14322	2.2
216.14732	1.6
217.10089	1.3
217.15950	1.3
219.11781	2.4
219.13802	3.7
221.13245	5.6
221.15318	51.1
222.13803	2.7
223.11401	1.3
223.14740	5.6
224.15446	2.9
225.12759	2.6
225.14832	10.0
225.16747	1.8
227.14301	1.9
227.17941	2.3
229.15816	2.5
231.13806	3.6
233.13306	1.7
233.15344	8.2
234.14017	2.3
234.16089	10.4
235.14784	2.8
237.12744	3.6
237.16405	3.4
239.14220	2.5
239.17845	1.3
243.13739	2.1
243.17497	1.5
245.13190	1.7
245.15387	1.7
246.16103	2.2
247.14809	2.5
247.16942	7.6
249.16405	3.6
251.14291	1.5
251.17987	2.6
252.18515	1.5
253.15837	2.4
259.17020	2.4
261.16199	1.5
261.18604	1.8
263.17801	1.2
265.15894	1.8
267.17441	2.3
268.41827	1.3
269.18829	2.5
271.17014	1.7
273.18515	2.6
274.19229	2.7
279.17651	1.4
281.18878	2.3
283.17026	1.9
285.18530	1.7
286.19342	6.2
287.20047	35.5
297.18488	2.6
299.20068	11.9
300.20779	2.9
303.19492	2.7
309.18555	1.4
311.20078	2.1
312.20840	3.9
313.21478	3.4
319.20477	2.9
325.21561	12.0
329.21155	5.3
337.21561	6.9
339.23114	2.8
352.23911	63.3
353.24460	3.6
365.24625	13.0
367.26416	1.3
391.25919	1.6
395.25854	2.9
432.30005	1.3
438.31146	3.2
472.31903	6.7
480.32010	1.6
511.34537	1.4
525.35852	8.0
526.36084	2.5
538.36432	100.0
539.36591	4.8
600.40747	2.6
603.39655	1.4
618.42487	20.5
644.48041	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	618.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93081	0.2
52.25311	0.2
55.05503	0.5
57.06587	0.2
66.80570	0.2
67.05499	0.5
68.05019	0.7
69.03422	6.4
79.05490	0.3
81.07054	0.4
83.08625	0.2
86.06059	18.5
87.04459	52.6
88.04797	0.3
95.08597	0.4
98.21519	0.5
102.09177	0.5
104.07095	100.0
105.07478	0.4
107.08585	0.3
109.10136	0.3
119.08569	0.6
121.10159	0.3
133.10129	0.6
145.10100	0.5
155.10641	0.2
180.14659	0.2
209.13078	0.3
230.29390	0.4
243.43222	0.2
263.95004	0.2
266.85370	0.2
332.00024	0.2
604.88916	0.2
618.42877	0.3
626.55261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
56.54586	0.3
57.07059	0.3
58.06581	0.3
67.05502	0.4
67.41961	0.3
68.05016	0.8
69.03418	6.2
69.07065	0.4
69.48347	1.5
69.48778	2.0
70.06529	0.4
75.11999	0.3
81.07050	0.7
86.06056	18.2
87.04456	55.3
91.05478	0.7
93.07046	0.7
95.08575	0.6
104.07092	100.0
107.08569	0.4
109.10143	0.7
111.04411	0.7
119.08529	0.4
119.28402	0.3
120.08010	0.4
121.10135	0.4
121.22448	0.3
129.05437	0.4
166.80595	0.3
227.20268	0.4
283.01807	0.9
613.98853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05496	1.8
56.05028	7.4
57.03423	1.2
58.06579	1.8
60.04506	3.1
61.01138	0.6
62.82362	0.4
67.05466	0.8
69.03419	1.6
69.07058	7.7
70.02934	3.2
70.06580	52.8
71.04971	1.8
71.06905	2.6
71.58992	0.6
72.08145	14.0
73.08488	0.8
74.06066	25.4
75.05592	8.7
79.05466	1.0
81.03376	0.9
81.07028	0.8
82.06548	0.8
83.06085	1.9
84.04488	13.7
84.08129	19.3
85.02891	4.5
85.04027	0.5
85.04843	0.7
85.06519	0.4
85.08439	0.6
86.06054	1.5
86.09691	100.0
87.05074	0.8
87.05576	10.5
87.10026	1.7
88.03974	3.8
91.05459	1.9
93.04498	0.6
93.07025	1.0
94.06554	1.0
95.04973	1.0
95.06070	0.9
95.08652	0.6
96.04487	0.6
96.08112	0.8
97.02857	0.9
97.06478	0.6
98.02393	0.7
98.06036	1.4
98.09695	0.8
99.00827	0.6
99.05564	0.5
101.07115	6.8
101.10783	0.7
102.05524	5.7
103.05431	1.0
104.05307	2.1
105.06995	1.2
107.04910	0.9
107.08566	0.9
108.04520	0.5
108.08081	0.6
109.02875	0.9
109.06523	0.7
110.05996	1.2
110.07151	14.3
110.09696	0.7
111.05540	0.7
111.06812	0.4
111.07503	1.5
112.03928	0.9
112.08718	1.7
112.11266	0.5
113.07097	1.4
114.05489	0.8
114.09122	0.5
115.08662	1.7
116.07074	1.4
119.04914	1.2
120.06600	2.4
120.08070	8.9
121.06468	0.5
121.08390	0.9
122.05987	1.3
123.08056	0.6
124.11197	1.2
125.06034	0.5
125.07121	1.3
126.05508	0.8
126.09128	0.6
126.12756	0.5
127.03958	1.0
127.05015	2.6
127.08655	1.5
129.05537	0.6
129.06595	1.6
129.10220	11.2
130.04979	10.9
130.06511	0.9
130.08633	1.6
130.10574	1.0
131.04877	0.6
131.08182	0.8
132.08067	0.9
133.06087	2.7
133.10133	0.7
135.04460	0.8
136.03932	2.3
136.07553	7.7
136.08559	0.7
137.05960	1.3
137.07922	0.5
138.05489	1.0
138.09128	1.5
139.08655	0.7
141.06616	1.6
141.10226	1.9
141.13824	0.6
142.12247	2.2
143.11771	53.8
144.06522	1.4
144.07683	0.6
145.06050	0.5
146.06245	0.5
147.04375	1.5
147.07645	1.9
147.11305	1.3
148.04756	0.6
150.05623	0.5
151.08646	0.5
152.10718	1.4
152.14195	0.5
153.06548	0.8
153.10167	0.7
154.04939	2.4
155.08192	1.8
155.11812	1.0
156.07689	0.7
157.06056	2.3
157.13374	0.5
158.09271	0.5
159.07674	1.3
159.09178	1.2
159.11223	0.5
160.07523	0.4
161.09262	0.5
164.07047	0.6
166.08615	0.8
167.06970	1.0
169.06100	1.8
169.09735	1.6
169.13338	4.7
170.05908	0.7
171.07661	3.1
171.11253	22.3
172.07231	1.2
173.12909	1.5
175.03909	1.3
175.07219	1.6
175.11819	0.5
177.05466	0.8
177.10234	0.7
177.44269	0.4
179.04741	0.4
181.06157	0.8
181.09729	1.4
182.04498	0.4
183.11256	2.2
183.14908	0.8
185.09166	1.0
185.16487	0.7
187.07246	0.8
187.10820	1.3
187.14389	18.8
188.14665	0.6
189.08836	0.6
191.14288	0.6
193.08615	1.5
195.07869	0.5
195.11226	0.9
197.12906	4.1
198.08791	0.6
199.07074	3.2
199.08844	0.5
199.10738	1.0
199.14410	1.2
200.05466	2.1
200.13986	1.1
201.10680	0.5
201.12251	2.3
203.10277	1.3
208.10916	0.4
208.14537	0.4
211.10785	1.2
211.14363	0.5
213.08731	1.0
213.12289	0.7
213.16002	0.5
215.13841	4.7
216.09744	10.4
217.08150	9.3
217.11607	0.6
220.17001	0.7
223.10808	0.9
226.11821	0.7
226.15498	1.9
227.10159	0.8
227.13820	2.2
228.13376	5.4
229.11719	0.7
231.04984	0.5
233.12791	0.5
234.10786	9.5
235.11928	0.5
236.14095	0.5
237.12321	1.0
238.18065	1.3
239.18120	0.4
240.13512	1.6
240.19612	0.8
243.13412	0.6
244.09369	0.6
244.13171	1.1
244.16437	0.9
245.07841	0.7
246.18077	0.5
254.14955	22.3
268.40375	0.5
272.15997	25.3
274.14252	0.6
284.09262	0.6
285.15686	0.8
296.16226	0.5
322.21283	1.2
329.18170	7.7
330.16580	2.7
339.23907	4.3
347.19135	4.6
357.24918	5.7
362.17441	0.6
367.23349	25.3
368.19229	1.4
368.23727	0.6
369.17828	0.8
385.24445	8.9
386.20413	2.0
430.22937	1.7
431.21396	1.3
436.25479	0.9
437.23914	0.8
448.23886	2.9
452.21170	0.6
454.26791	0.5
464.25681	0.8
470.22397	1.2
471.29272	1.4
481.27765	2.4
482.26105	1.1
486.18015	0.5
488.23151	0.6
499.28674	3.1
565.29785	0.8
573.32367	0.7
581.30035	0.6
583.30682	1.7
600.33484	8.0
601.31885	4.0
617.82843	2.2
618.35010	6.5
619.31952	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	617.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01872	3.6
55.05256	4.5
55.05503	65.4
57.07075	15.2
59.04988	5.6
59.54868	2.5
62.17110	2.6
65.03938	3.6
67.05511	16.4
69.03426	13.4
69.07050	12.4
69.52415	25.4
70.64266	2.7
71.04984	5.3
71.08614	11.0
79.05489	23.2
81.07045	33.1
83.04968	23.6
83.08611	100.0
83.59559	2.5
85.06537	7.6
85.10170	5.0
87.04462	7.3
89.06013	9.4
91.05471	34.7
93.07042	45.7
95.04973	18.0
95.08600	27.5
97.06515	30.4
99.04487	2.9
105.07022	64.7
106.07346	7.0
107.08585	73.6
109.06509	15.4
109.10155	18.5
111.08055	6.5
113.09631	16.1
115.05460	6.2
117.07006	11.7
119.08563	50.2
121.06498	11.2
121.10131	32.8
122.10505	2.7
123.08048	12.1
123.11714	5.5
125.09613	32.5
128.06226	9.6
129.06976	10.3
130.07854	3.5
131.08557	28.1
133.06410	2.6
133.08568	5.2
133.10118	26.9
135.08020	9.1
135.11655	7.5
137.09627	5.9
139.11177	17.1
141.06975	8.5
142.07780	14.6
143.08543	30.2
144.09422	7.0
145.10117	44.8
146.10413	4.5
147.08043	8.3
147.11665	14.8
149.09647	13.4
151.11201	5.0
153.12724	5.6
155.08601	14.8
155.10635	16.9
156.09326	14.6
157.10106	52.7
158.10780	4.2
159.08028	18.9
159.11670	17.4
160.08446	5.0
160.12155	2.6
161.09590	6.4
161.13266	3.5
163.11169	6.6
165.06995	5.5
167.08536	9.0
167.10664	10.9
168.09317	7.1
168.10876	4.0
169.10110	20.7
170.10799	8.0
171.11688	28.4
172.12149	4.4
173.09602	7.6
173.13240	15.7
175.11157	3.4
177.12735	3.3
179.08548	11.7
179.14291	5.7
180.09267	3.0
181.10085	15.6
181.12241	21.3
182.10822	9.2
182.12512	2.9
183.11653	18.5
184.12238	3.3
185.09625	6.9
185.13252	10.5
187.11131	5.0
187.14868	5.0
189.12801	5.1
191.14265	5.3
192.09322	3.8
193.10094	14.0
194.10828	8.6
195.11653	21.2
195.13620	3.4
196.08826	4.2
196.12389	5.0
197.09567	2.8
197.13269	18.3
199.11160	3.0
199.14865	13.7
201.12810	3.7
206.10922	4.8
207.11713	13.8
207.13651	4.3
208.12387	9.1
209.13254	22.2
209.15128	4.5
210.13641	4.3
211.11130	3.1
211.14854	13.1
213.12790	3.7
217.10052	3.8
217.15860	9.2
218.10844	2.9
219.11610	4.3
220.12337	5.2
221.13190	16.1
221.15343	17.2
222.13832	4.3
223.14819	14.7
225.12781	3.8
225.16438	4.0
227.14384	6.9
231.11690	4.1
233.13127	7.2
233.15402	18.2
235.14709	8.0
237.16365	8.2
239.17868	4.1
245.13252	4.4
246.13834	5.4
247.14682	6.6
247.16937	4.1
249.16414	6.3
251.17896	4.1
255.17406	5.6
257.13220	3.5
257.18976	3.0
259.14691	3.6
261.16235	6.7
263.17926	10.4
269.18927	5.2
273.16061	4.6
273.18668	4.9
275.17990	4.8
277.19391	3.0
281.18976	3.3
283.20569	8.3
285.18539	3.8
288.20428	3.0
289.19415	5.3
299.20227	12.7
311.19907	4.3
314.16574	2.8
321.22589	3.4
365.25046	3.7
373.25241	3.2
377.24847	3.9
382.24304	3.2
383.25760	5.1
395.27182	5.0
563.39063	4.0
581.39587	10.4
599.40521	8.8
617.41528	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	617.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01867	2.3
55.05501	37.9
57.07071	9.9
57.20717	0.9
59.04981	4.3
60.61993	1.0
64.26827	1.1
65.03927	2.7
67.05495	9.9
69.03410	10.3
69.07059	6.7
70.38576	4.2
71.04988	3.3
79.05484	12.7
81.05164	1.0
81.07046	18.7
83.04963	10.1
83.08603	45.4
85.06532	3.8
87.04447	3.9
89.06042	1.5
91.05460	19.0
93.07027	26.2
95.04955	9.0
95.08597	20.1
97.06503	12.8
103.05455	1.0
105.04469	1.5
105.07012	31.6
106.07306	1.4
107.04961	1.8
107.08580	31.0
107.09274	2.3
108.08914	1.4
109.06518	7.4
109.10133	9.0
110.10473	1.2
111.08064	3.0
113.09628	8.0
115.05435	2.3
116.06248	1.2
117.06992	8.1
119.04918	1.3
119.08562	32.3
119.35160	1.2
120.08864	1.6
121.06516	5.9
121.10129	16.4
123.08054	17.7
123.11757	2.3
125.05995	2.7
125.09606	11.0
126.20616	1.1
128.06207	3.5
129.06970	4.4
130.07748	2.6
131.08553	19.1
133.06500	1.7
133.10109	15.5
135.08028	9.8
135.11681	4.3
137.05952	1.4
137.09576	12.6
139.11163	7.8
141.06992	3.1
142.07750	8.6
143.08530	16.3
144.09277	2.7
145.06358	1.2
145.10095	29.7
146.10472	2.2
147.08017	19.9
147.11632	7.0
148.08516	1.3
149.09613	4.1
149.13255	1.6
151.07526	18.1
153.09123	1.3
153.12766	1.7
155.08493	6.8
155.10632	7.3
156.09340	7.4
157.10103	23.1
158.10684	1.3
159.08055	5.1
159.11673	13.7
161.09602	5.8
161.13266	4.9
163.11198	6.6
165.06921	2.5
165.09090	37.0
167.08562	3.7
168.09312	2.2
169.10092	11.7
170.10829	2.8
171.08151	1.3
171.10184	2.0
171.11653	13.5
173.09593	3.6
173.13228	5.2
175.11160	3.2
175.14830	2.3
177.09094	2.2
177.12759	2.4
179.08629	2.5
179.10696	3.0
179.14331	2.1
180.09288	1.6
181.10130	5.7
181.12231	17.6
182.10858	3.1
183.11678	10.7
185.09615	2.0
185.13268	7.4
187.11122	2.7
187.14816	2.2
189.12720	6.0
191.14357	2.4
193.10086	3.7
194.10814	3.2
195.11670	9.6
195.13783	4.2
196.12477	3.5
197.09744	1.3
197.13248	11.7
199.11159	1.3
199.14832	2.5
201.12750	2.5
203.14265	15.4
207.11646	3.3
207.13823	6.6
208.12480	2.2
209.13252	7.6
209.15343	3.1
211.14807	8.1
212.15445	1.2
213.12773	1.8
213.16414	2.7
215.14343	1.4
219.11662	1.6
221.13252	6.0
221.15318	100.0
222.13861	2.0
222.15753	5.5
223.14821	10.7
225.12766	1.2
227.14319	3.1
229.16017	1.6
231.11560	1.3
233.13205	2.2
233.15312	1.7
235.14734	2.3
235.16856	2.2
237.16537	2.4
239.14108	1.3
239.17938	2.0
245.13252	1.6
247.14680	2.1
247.16859	7.5
249.16350	1.8
251.17998	2.6
263.17947	2.3
265.19507	2.3
273.18597	1.4
275.17804	2.0
279.17627	1.7
283.20612	2.6
285.18506	3.2
286.19217	4.4
287.19971	9.0
289.19507	1.6
298.19202	2.0
299.20093	12.5
300.20715	5.3
301.21652	1.9
307.20389	1.6
307.54956	1.3
311.19916	2.7
312.21048	1.5
313.21463	4.5
325.21457	3.1
351.23248	1.4
353.24469	2.2
365.24658	5.7
366.25201	1.4
387.25476	1.7
391.26462	5.5
409.27484	1.7
413.27667	2.7
419.28714	2.1
431.29349	3.4
505.33087	1.4
507.34555	1.9
519.40704	1.6
525.35352	1.6
537.35144	4.7
545.42230	1.2
559.37421	2.2
581.39734	4.1
599.40826	15.3
617.41809	26.9
618.42139	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	617.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40544	1.1
53.03911	1.1
55.05489	3.5
56.05011	2.2
57.03422	1.4
57.07060	2.2
57.31141	1.0
59.04969	1.3
62.46792	1.2
67.05490	5.7
68.05145	0.9
69.03392	4.5
69.07056	22.8
70.06574	15.7
70.07371	3.5
71.04955	2.7
71.41553	2.0
71.41891	2.1
72.08131	3.7
73.02860	1.0
79.05458	4.0
81.03378	2.4
81.07038	6.1
82.06579	1.9
83.04951	1.3
83.08611	7.8
84.04475	2.2
84.08111	2.6
84.08912	1.0
85.02889	7.3
86.09692	8.4
87.00816	1.0
89.06001	5.9
91.05440	4.2
93.07036	5.3
94.06536	8.1
95.04937	3.5
95.07345	5.3
95.08575	4.3
96.04481	1.1
96.08123	9.4
97.02837	1.4
97.06486	1.8
102.05516	1.1
103.05435	1.3
104.05296	1.0
105.07006	3.8
105.14785	1.3
106.06522	2.5
107.04931	1.2
107.07333	1.9
107.08546	2.4
108.04453	1.2
108.08105	12.8
109.06534	1.3
109.10145	3.2
110.07144	3.5
110.09655	16.9
113.12759	0.9
119.08564	1.6
120.08085	18.0
121.06453	1.5
121.10065	2.5
122.06001	4.5
122.09654	2.2
123.11691	1.4
124.07579	6.9
125.05924	1.1
125.13194	2.4
127.03872	3.1
129.10226	2.2
132.08076	1.1
133.08568	4.3
133.10110	2.5
134.05975	5.7
136.07547	15.2
137.05870	1.0
138.09113	100.0
144.04410	1.5
145.04865	1.3
145.10069	2.2
146.05975	7.0
148.07533	6.1
150.05551	1.3
150.09105	2.6
151.09583	2.6
152.05873	1.4
152.07062	15.7
159.02846	1.2
159.09164	1.5
159.11670	1.5
162.05452	1.5
163.11134	1.6
164.07045	10.2
165.09103	1.0
166.08656	6.0
168.06483	1.6
169.13297	1.0
172.03891	6.2
173.09604	1.1
174.05672	1.3
176.07047	3.8
178.05058	1.2
179.05304	1.5
190.05000	3.2
192.06604	1.2
195.12175	0.9
197.10696	1.7
204.06541	8.7
209.10600	1.9
209.13611	2.3
210.07661	1.4
210.11459	19.3
211.12245	2.5
213.10202	2.3
218.08266	1.4
220.16890	3.8
221.10698	2.1
222.18513	3.3
223.12291	4.1
224.13184	1.6
225.10165	4.2
225.13789	1.3
226.10909	1.6
227.11676	4.0
235.08835	1.2
235.12245	4.5
237.10078	8.0
237.13718	1.9
238.10960	8.5
238.17979	10.3
239.11687	5.6
239.18649	3.4
239.68811	1.8
240.12363	1.3
240.19537	6.8
241.09666	2.7
241.19913	1.2
243.11328	1.9
243.14847	1.6
245.12869	1.7
246.17867	1.8
248.09386	2.4
249.10199	4.1
250.10995	6.5
251.11760	10.3
252.12396	2.9
253.09608	1.7
253.13310	4.0
255.11145	2.7
255.14673	1.3
256.19128	1.8
257.12863	1.1
262.10892	2.2
263.11771	16.7
264.12436	3.9
265.09729	5.0
265.13263	7.6
266.10315	2.2
267.11188	8.2
267.56750	1.0
268.12079	1.1
269.12772	13.4
271.10751	2.8
271.14349	3.3
272.11313	1.5
272.18552	1.2
277.09677	1.7
278.10458	4.8
279.11227	34.0
280.11884	2.4
281.12814	4.2
282.10135	1.4
282.13565	4.5
283.10989	2.3
283.14212	1.5
284.11407	4.9
285.12256	11.4
287.05362	4.3
287.13977	1.3
291.11270	3.0
293.09131	4.2
293.12723	5.1
294.13229	1.4
295.10681	2.2
295.14465	1.2
296.11569	7.6
297.12274	63.0
298.12643	3.1
299.13910	2.1
300.10822	1.3
301.11752	1.1
302.12131	1.5
303.05008	2.4
303.13370	1.4
309.12299	37.4
310.12930	10.9
311.10193	3.9
311.13522	2.4
313.11819	6.6
315.13293	10.6
316.14072	1.2
319.10553	2.3
320.21283	3.2
321.12332	11.3
323.10141	3.9
325.11707	6.6
326.12607	1.1
327.13150	2.3
329.14877	2.5
333.26541	6.0
334.26654	13.0
337.11777	15.8
338.12457	8.5
339.13324	12.6
341.11337	1.9
345.14529	1.6
351.27756	1.6
352.27573	3.9
357.14365	5.0
358.15317	2.3
359.15704	1.3
369.14392	53.7
370.15155	6.8
371.15988	18.7
373.14005	5.7
374.14529	1.2
392.19598	2.8
400.16400	2.5
403.19199	1.4
404.19571	2.2
408.19730	1.4
414.17523	1.4
416.19791	4.9
421.19937	6.8
422.20593	8.3
430.17368	4.6
431.18329	1.3
432.19174	1.5
442.17480	2.5
446.20538	4.5
448.18619	25.1
449.19205	2.2
450.20093	3.5
460.18600	58.4
461.19025	2.5
462.20395	4.7
463.20789	2.9
464.21704	2.2
477.36963	1.3
478.19681	2.1
480.21429	7.0
492.21210	38.2
493.21115	3.1
494.23010	2.1
495.23785	5.0
567.26086	8.2
573.25476	3.6
585.26923	18.1
586.27026	1.4
599.23749	2.5
614.65308	1.2
617.25037	5.2
617.37274	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
64.82600	0.6
67.05488	2.1
69.07050	1.5
70.06584	4.4
79.05473	2.2
80.04986	1.1
81.03442	0.7
81.05779	1.0
81.07011	1.1
82.06529	1.0
84.08134	0.7
85.02883	1.6
86.09692	1.9
91.05430	1.7
93.07046	3.3
94.06563	6.6
95.04933	1.4
95.07331	5.3
95.08595	1.4
96.08119	11.0
97.06504	1.4
98.20712	1.7
103.05440	1.0
105.07027	0.9
106.06516	1.7
107.07317	2.0
107.08554	0.8
108.07416	1.0
108.08100	12.2
109.08871	1.2
110.09667	18.5
116.04955	0.6
120.04408	1.1
120.08093	15.0
121.06501	0.6
121.08259	0.6
121.10147	0.9
122.06002	3.5
122.09595	0.7
124.07591	4.1
131.67810	0.7
132.08092	0.9
134.05995	3.9
134.06850	0.7
134.96832	0.7
136.07565	11.8
138.09119	100.0
139.09451	1.0
146.05984	7.7
148.07535	6.3
150.09154	3.4
152.07047	18.8
158.06094	0.8
160.52196	0.6
163.11198	1.1
164.07053	12.4
166.08641	5.5
172.03883	6.4
172.07532	0.8
174.05487	1.5
176.07005	3.7
179.29097	0.6
180.10213	0.7
190.04982	5.0
197.10672	1.1
201.10168	0.7
204.06519	8.0
208.09767	0.7
209.10756	1.9
210.09482	0.7
210.11475	20.6
211.08667	1.0
211.12177	2.7
215.11865	0.9
218.08174	2.4
220.16861	1.0
221.10748	2.2
222.11557	2.0
222.18513	0.8
223.12315	3.3
224.13135	1.5
225.10265	4.8
225.13670	1.0
226.10941	1.8
227.11842	2.9
229.13283	0.7
235.12302	3.2
236.09425	1.2
236.13092	1.2
237.10184	10.0
237.13914	1.9
238.08557	0.9
238.10910	8.5
238.18047	2.7
239.11716	6.8
239.18573	1.0
240.12457	0.9
240.19540	2.4
241.09746	1.1
242.14096	0.7
245.12949	0.9
247.12276	0.8
248.09402	3.8
249.10179	4.2
249.13931	0.8
250.10945	5.5
251.09152	1.2
251.11752	11.6
252.08777	1.2
252.12505	2.0
253.09668	1.3
253.13402	4.5
255.11290	2.5
259.27600	0.7
261.10324	0.9
262.11050	2.3
263.11743	18.4
264.08893	2.0
264.12509	2.9
265.09833	5.0
265.13254	8.8
266.10434	1.8
267.11252	8.0
268.12057	1.7
269.12802	15.4
270.13327	0.8
271.10626	1.3
271.14453	2.4
275.11969	1.6
277.09637	2.0
277.13120	1.3
278.10394	4.1
279.11237	35.8
280.11929	2.4
281.09894	0.7
281.12814	3.7
282.10309	1.3
282.13580	5.6
283.10767	2.8
284.11539	7.3
285.12256	9.5
287.05457	0.8
289.15567	1.0
291.11337	3.6
293.09207	4.9
293.12830	5.5
294.13425	1.2
295.10751	3.7
295.14053	1.2
296.11597	7.8
297.12302	66.5
298.12903	2.5
299.13989	1.6
307.10468	0.8
309.12305	37.9
310.13089	11.1
311.10181	3.0
311.13803	3.3
313.11880	1.1
315.13519	1.9
319.10715	1.8
321.12271	13.3
322.12869	1.1
323.10141	4.3
325.11749	7.6
327.13422	2.9
329.14899	3.7
337.11771	16.6
338.12555	8.2
339.13330	14.8
341.15094	1.0
357.14377	5.4
358.15350	2.2
369.14407	61.0
370.15051	4.3
371.15982	20.1
372.16626	1.1
372.20920	2.1
374.18494	1.1
387.21320	1.0
392.19662	1.8
400.16632	1.9
403.19083	0.9
404.19904	1.8
406.17734	0.7
416.19669	5.2
418.17529	2.5
421.19882	8.1
422.20721	7.8
430.17505	4.9
432.19095	2.5
442.17630	5.3
444.19434	1.0
446.20819	3.1
447.77420	0.8
448.18607	24.5
449.19348	2.9
450.20071	3.8
460.18628	60.1
461.18823	2.3
462.20081	2.7
463.20966	3.0
464.21539	2.3
480.21298	9.7
492.21255	52.1
493.21622	2.0
494.23117	3.3
495.23633	6.8
567.26031	7.5
585.27069	18.8
586.27228	0.9
599.27435	0.8
617.28320	2.8
617.38049	4.2
623.46210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.05496	0.8
61.51324	0.5
66.91838	0.5
67.05492	2.0
69.03401	1.6
69.07043	1.5
70.06581	7.6
70.19434	1.0
70.19832	2.4
70.25619	0.5
71.04971	1.8
72.08136	1.3
79.05471	1.9
80.04983	0.7
81.03397	0.8
81.05772	0.7
81.07050	2.5
82.06543	1.6
83.04942	0.6
84.04462	0.9
84.08118	1.9
85.02887	1.8
85.06532	0.5
86.09695	3.9
91.05473	2.8
93.07028	5.1
94.06551	6.5
95.04941	1.1
95.07328	5.0
95.08569	1.9
96.04475	1.2
96.08112	9.2
97.06500	1.6
102.05513	0.5
103.05437	0.9
105.06983	1.7
106.06535	1.9
107.04926	0.7
107.07304	1.5
107.08546	1.3
108.07407	0.7
108.08096	9.6
109.06476	1.0
109.08926	1.1
109.10130	0.8
110.07156	1.0
110.09665	14.6
119.08551	0.9
120.04449	0.5
120.08090	15.4
121.06413	0.7
122.05998	3.5
122.09652	1.3
124.07587	5.9
127.03904	0.8
129.10181	0.7
132.08069	1.0
134.05981	4.2
136.07547	12.8
138.09113	100.0
139.09479	0.6
144.04417	0.7
145.10104	1.1
146.05971	7.9
146.09651	1.2
148.07521	6.2
150.09132	3.1
152.07039	19.5
158.05965	0.7
159.11688	0.7
160.07555	0.7
162.05516	1.0
162.09087	0.8
163.11200	1.2
164.07027	10.7
166.08611	4.3
172.03871	5.8
172.07521	0.6
174.05487	1.1
174.09187	0.8
176.06990	3.2
182.09492	0.8
190.04945	3.8
191.10519	0.7
192.06522	1.0
192.10153	0.5
194.08066	1.2
197.10643	0.8
198.09309	0.7
198.11409	0.9
199.12309	0.5
204.06535	8.9
209.10745	1.7
210.11467	21.3
211.08592	0.5
211.12280	2.5
212.09256	0.8
213.10268	1.1
218.08028	1.2
220.16942	1.2
221.10713	2.0
222.11491	1.9
222.18401	1.2
223.08499	0.9
223.12178	4.2
224.09264	1.0
225.10188	5.4
225.13809	0.9
226.10938	1.4
227.11784	2.5
229.15497	1.6
233.10515	0.6
235.08646	0.9
235.12292	3.2
236.09448	0.9
236.12999	0.9
237.10176	9.5
237.13702	2.5
238.08653	1.0
238.10945	9.2
238.17944	2.6
239.08055	1.3
239.11723	6.6
239.18668	0.8
240.19627	2.3
241.09732	1.6
243.11176	0.8
245.12820	0.9
247.12312	0.9
248.09390	2.9
249.10216	4.4
249.13884	0.6
250.10825	5.6
251.08000	1.1
251.11751	11.7
251.14365	0.6
252.08841	1.0
252.12543	3.4
253.09702	1.3
253.13322	4.9
255.11148	3.0
257.12683	0.6
259.14520	0.8
261.10141	0.7
262.10989	3.1
263.11728	16.4
263.14410	1.0
264.09009	1.7
264.12439	2.4
265.09683	5.2
265.13336	8.0
266.10547	1.3
267.11237	6.7
268.12021	1.9
269.09863	0.9
269.12817	16.6
270.13324	0.9
271.10776	1.2
271.14380	2.4
275.11847	1.1
277.09653	1.4
277.13315	1.3
278.10281	3.6
279.11237	35.0
280.11856	2.4
281.12784	3.3
282.10333	1.0
282.13629	5.1
283.10754	2.5
283.14154	1.0
284.11530	4.6
285.12296	10.3
287.05548	1.2
289.15445	1.0
291.11319	3.9
292.11984	0.8
293.09198	3.4
293.12808	6.1
294.13489	1.3
295.10916	3.1
295.14035	0.8
296.11465	6.4
297.12289	62.7
298.12857	3.0
299.13831	2.2
303.04941	0.6
303.11005	0.7
307.10599	0.5
309.12262	38.9
310.13025	10.1
311.10156	2.7
311.13800	3.0
312.10922	1.1
313.11731	1.4
315.13284	6.7
316.14227	1.5
319.10718	1.4
320.14914	0.6
321.12308	12.0
323.10220	3.3
323.13724	1.0
325.11761	5.8
326.12399	0.7
327.13290	1.8
329.14951	3.4
331.16357	0.7
337.11765	15.9
337.15790	0.9
338.12534	6.8
339.13361	12.8
344.13840	0.7
351.25473	0.6
357.14410	5.5
358.15268	1.8
359.16229	0.6
369.14380	54.0
370.15146	4.3
371.15985	17.5
372.16547	1.0
372.20749	2.3
374.18469	1.2
376.16321	0.7
388.16299	0.7
392.19595	1.8
400.16440	2.4
403.19034	0.7
404.19604	1.7
408.19012	0.8
416.19791	3.9
418.17203	2.4
421.20004	7.9
422.20685	6.4
430.17618	5.2
432.18921	2.8
434.20474	0.7
442.17599	3.0
446.20816	3.6
448.18588	24.0
449.19287	3.8
450.20242	3.8
460.18597	59.6
461.18970	1.9
462.20255	4.1
463.20850	2.8
464.21811	2.1
478.19678	1.9
480.21207	8.4
492.21213	45.5
493.21100	0.6
494.22629	3.8
495.23373	5.2
567.25818	8.3
585.27014	18.9
617.29095	2.2
617.38489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79209	0.3
53.03931	0.5
55.01859	1.2
55.05263	0.3
55.05504	3.5
56.05022	1.8
57.03431	1.8
57.07059	0.3
58.06595	2.8
58.99579	0.3
61.02896	0.3
62.14303	0.2
65.03926	0.6
67.05491	7.2
68.05830	0.4
68.99796	0.4
69.03415	1.9
69.07056	3.0
70.01772	1.8
70.06581	28.7
71.01348	0.2
71.04378	0.6
71.04990	6.9
71.06921	1.5
72.08147	3.6
73.02901	0.7
73.08463	0.3
74.06065	2.9
79.05485	3.3
81.03398	1.0
81.07043	7.1
81.32796	0.3
82.06549	2.2
83.04958	4.3
83.06084	0.4
83.08613	1.1
84.04491	3.8
84.08134	5.2
85.02892	12.4
85.06542	0.3
86.03232	0.6
86.06063	1.1
86.09691	43.2
87.04439	0.7
87.05607	0.3
87.09454	0.6
87.10015	7.3
91.05062	0.2
91.05479	2.4
93.07021	2.7
94.06549	1.5
95.04961	0.8
95.08593	6.1
96.08121	2.9
96.08729	0.3
97.02871	1.2
97.06508	0.7
97.08925	0.4
97.10130	0.6
98.06027	0.9
98.09692	1.6
98.20751	0.3
99.04451	0.5
101.07109	0.3
102.05520	3.5
103.05927	0.3
104.05304	0.5
105.06998	2.1
106.02180	0.3
106.06555	0.7
107.04941	0.9
107.07339	1.1
107.08582	2.4
108.08116	1.6
109.02850	0.7
109.06509	0.6
109.10130	1.3
110.07149	4.2
110.09673	1.4
111.00768	0.6
111.04438	2.0
111.07473	0.6
112.07620	0.4
112.11240	0.4
114.09197	0.3
115.08688	0.7
116.10707	0.9
117.06939	0.6
119.08577	1.6
120.08092	2.8
121.02850	2.3
121.10119	1.5
122.06028	0.4
122.09629	1.0
123.08050	0.4
123.11655	0.5
124.11228	1.6
126.05482	0.3
127.03893	1.4
127.08663	0.7
129.05469	3.5
129.06433	0.4
129.06776	0.2
129.10254	1.6
130.04977	0.9
131.08510	1.3
132.08072	0.5
133.02908	0.4
133.10046	0.8
134.09645	0.4
135.11650	0.8
136.07564	1.2
136.08556	0.3
137.02249	0.7
137.05949	0.6
137.09558	0.3
138.09117	0.3
140.10658	0.4
141.06551	0.5
141.10234	1.4
142.10547	0.3
143.08199	0.5
143.11777	0.5
145.10057	1.0
147.04333	0.7
147.11519	0.5
148.06029	1.6
149.06343	0.5
149.09618	0.4
152.10657	0.6
152.14339	0.6
153.01810	2.4
155.08127	0.6
159.07793	0.7
159.09160	0.8
159.11633	0.7
161.09587	0.3
163.03854	0.4
164.07021	0.3
165.01828	1.1
167.07005	0.4
169.09694	0.7
169.13287	0.3
170.11670	1.3
177.08711	1.2
181.09688	0.4
183.02914	0.7
183.14932	1.7
184.13200	0.4
185.05951	0.5
187.14706	0.3
190.15904	0.9
191.08162	1.3
192.13814	0.5
192.17331	0.3
194.18993	0.8
197.12834	0.8
199.10760	0.3
199.17970	1.7
200.14204	0.3
200.18356	1.1
201.12408	0.6
202.15903	0.3
206.15355	0.5
208.16920	1.2
211.14381	1.2
212.16508	0.3
213.05498	0.5
215.13876	7.0
216.14200	3.8
217.13370	0.3
218.15390	2.8
219.15695	0.5
220.16922	4.1
221.17258	0.9
222.18498	33.6
223.18843	3.9
224.16261	0.6
224.18230	0.3
226.17966	1.1
227.17529	2.6
228.17836	1.5
231.06432	0.5
236.16429	4.5
237.16914	0.7
238.17963	5.7
238.68117	1.0
239.18625	2.5
239.69019	0.7
240.19537	28.9
240.69746	2.4
241.04858	0.7
241.19893	2.6
243.13371	8.2
244.13722	4.9
246.17744	4.4
246.67874	1.3
247.18544	6.7
247.68645	1.3
253.09348	0.5
254.17458	7.0
255.17964	0.8
256.19067	4.5
257.04105	0.4
257.19336	0.6
258.05252	0.7
259.05792	0.4
261.14551	2.1
262.14737	1.4
272.18515	29.9
273.18869	3.0
282.20633	0.4
286.17639	1.6
287.05453	100.0
288.05795	9.8
288.08539	0.3
289.05957	0.6
289.19559	1.8
303.04929	8.4
303.20972	0.5
303.71310	0.4
304.05280	1.8
307.12805	0.4
310.20190	0.4
310.70038	0.5
311.20886	11.8
311.70993	2.9
312.21701	2.5
312.71835	1.2
319.20599	0.7
319.70743	1.5
320.21381	43.1
320.71564	10.6
321.21655	0.6
321.96082	0.3
341.21594	0.7
350.13425	0.4
350.23172	5.6
351.23950	0.6
356.21716	4.5
357.22079	6.6
365.77350	0.4
366.22635	0.6
368.24258	9.2
369.24582	1.3
373.13910	0.6
374.22626	0.9
375.23026	1.7
375.59003	0.3
393.24237	0.9
401.24023	1.5
442.30969	1.5
449.10358	0.6
455.68607	0.3
469.30423	0.4
470.30392	2.6
471.75845	0.3
477.36786	0.4
479.38312	0.9
493.36417	0.5
494.36307	0.4
511.37302	5.0
512.37494	1.0
514.77429	0.4
530.29492	0.9
544.26343	0.6
599.34650	0.5
600.18933	1.0
605.42065	0.4
617.25867	0.6
617.35645	2.2
621.40741	1.1
622.40765	0.5
623.43225	0.3
639.42010	10.7
640.42450	2.5
641.42285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.7
57.07071	48.3
59.04995	19.7
65.08366	1.7
67.05496	3.0
69.07048	2.7
69.64410	8.1
69.64848	6.5
70.06572	3.8
71.08624	89.5
71.54238	1.8
73.06535	3.1
79.05472	2.5
81.07051	1.9
83.08595	2.2
83.76462	1.7
85.10172	49.5
87.04466	14.3
89.06019	100.0
90.06367	2.0
93.07018	4.0
95.08598	4.9
97.06503	1.8
97.10142	1.8
103.07567	5.0
105.07027	4.2
107.07056	6.4
109.10134	2.9
115.69614	1.8
117.09109	2.2
119.08584	2.5
121.10095	3.4
127.14813	6.7
130.08638	4.9
131.07040	5.7
133.08588	78.6
133.10098	3.1
135.98480	1.8
141.16386	2.7
143.08542	1.8
145.10071	2.8
148.10237	1.5
157.10136	2.8
165.09082	1.9
175.09679	4.4
177.11209	38.8
177.12666	2.8
185.18967	11.8
185.30267	2.0
195.12265	2.2
196.22008	1.9
219.12309	3.3
220.16905	2.8
221.13768	6.0
221.15565	3.1
223.15344	2.3
229.21574	4.8
238.17931	2.7
239.14836	3.2
240.19695	3.5
258.70944	1.5
265.16510	1.6
279.24750	1.8
283.17419	3.2
311.20975	2.0
327.20123	3.8
332.52704	2.1
371.22870	3.9
415.25278	23.3
478.37253	2.4
479.38110	2.4
480.38315	4.0
557.15955	2.2
599.43469	4.1
616.17310	2.8
616.36835	2.3
616.47223	10.6
632.30469	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	616.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
54.29128	1.0
55.01855	3.7
55.05504	16.5
56.05025	2.9
57.03428	2.3
57.07062	15.7
59.04989	3.1
60.04506	1.4
60.54756	1.2
61.01122	1.3
61.02905	1.2
64.59664	1.0
65.03921	2.2
67.05489	11.5
69.03419	4.9
69.07054	100.0
70.02927	1.1
70.06576	29.9
70.21491	5.0
71.04978	7.1
71.06874	2.1
72.08142	6.7
74.00634	1.2
74.06047	2.3
76.02216	2.5
79.05485	4.5
79.06058	1.0
81.03384	5.8
81.07037	11.6
82.06572	1.8
83.04961	2.7
83.08601	42.4
84.04482	4.8
84.08124	10.1
85.02887	21.2
85.06532	2.2
86.09694	21.4
87.00820	4.1
87.04467	2.3
88.03981	1.4
89.06004	16.8
91.05447	5.7
92.04994	1.6
93.07027	6.7
94.06545	6.7
95.04952	3.0
95.08585	11.8
96.08097	2.5
97.02868	3.4
97.06505	2.5
97.10191	2.0
98.06072	1.8
99.04440	3.7
99.05523	1.3
99.08105	1.7
100.11264	1.2
101.07145	1.7
102.05543	2.1
103.05444	2.3
103.07497	1.5
104.04913	1.3
105.01862	5.0
105.07019	5.1
106.06572	2.1
107.04927	1.6
107.06954	1.5
107.08588	4.4
108.04457	3.9
108.08096	3.7
109.02848	5.7
109.06496	2.1
109.10130	8.5
110.06039	2.2
110.07140	3.6
119.04935	2.3
119.08567	3.2
120.08093	11.3
121.08445	1.9
121.10123	3.0
122.05968	1.5
122.09653	2.0
123.11691	1.9
124.07624	1.4
125.09541	1.5
125.13238	10.5
127.03916	10.1
129.10199	6.9
130.08601	1.5
131.08533	2.8
132.08069	1.3
133.08554	13.9
133.10101	2.1
134.05986	18.8
135.06348	5.8
135.11694	2.2
136.07552	8.6
137.05937	1.4
137.07971	1.6
137.09630	1.5
138.05463	10.8
138.09105	7.5
139.05844	1.9
139.09468	1.5
143.14299	2.0
145.04935	3.2
145.10156	2.1
146.05948	2.3
147.11594	1.5
150.05450	2.2
151.09584	7.9
152.03493	1.4
152.07057	1.9
157.09972	1.8
159.02887	1.7
159.07950	1.7
162.05560	1.5
163.11180	1.6
165.16399	2.9
166.04977	7.3
167.05377	1.3
168.06551	1.4
168.13802	1.4
169.09975	1.3
173.09492	1.3
178.04955	27.0
179.05321	8.8
180.06598	1.6
183.09109	1.9
183.17471	3.8
184.09770	2.6
185.10713	1.9
191.12810	4.5
197.10651	3.7
198.11194	1.3
201.12305	2.3
207.09233	1.5
208.09756	1.6
209.10602	1.3
209.13802	4.2
210.07521	1.2
210.11325	5.7
211.08571	1.5
211.11951	5.1
212.10783	2.6
213.10634	1.3
214.10596	1.6
220.16878	6.2
222.18457	2.3
223.12688	1.1
224.09633	1.3
225.10193	2.6
226.10724	2.2
227.11688	4.1
228.09056	1.3
228.12059	1.3
229.09718	2.2
229.13318	3.1
230.11801	2.1
230.13705	2.8
238.17941	15.7
239.08138	2.1
239.11765	2.1
239.18718	6.3
239.68988	2.1
240.08464	1.7
240.12265	1.8
240.19591	8.9
241.09787	1.5
241.19897	3.5
243.11400	4.5
244.11694	1.9
245.12839	3.9
246.13103	1.7
253.09636	4.2
254.09973	3.2
255.11279	2.1
256.11777	1.6
256.19168	2.4
257.12820	6.2
258.13196	3.9
267.11194	2.3
269.12799	3.4
270.09921	3.0
270.13135	2.0
271.10797	12.8
272.11328	17.4
273.11893	9.0
274.12756	2.1
279.07571	1.3
283.10822	2.4
284.11249	2.1
285.12329	15.8
286.12631	13.8
287.05682	1.7
287.13757	2.1
295.10934	1.4
296.11029	1.8
297.09055	1.3
297.12201	1.9
299.10193	3.0
300.10977	1.6
301.11725	26.5
302.12100	17.3
303.05042	2.9
303.13287	11.7
304.13687	7.7
309.12323	2.1
313.11990	3.1
314.12265	4.2
315.13351	1.7
333.26288	87.5
337.11832	1.6
351.27371	41.2
368.24121	1.9
369.14322	3.3
369.18570	1.3
421.19482	2.2
438.20718	3.0
439.20609	4.3
451.22510	1.4
460.18640	2.2
475.35477	2.6
477.36691	2.4
492.21252	5.3
530.24768	4.0
540.22223	1.4
570.24115	18.9
571.25177	2.7
572.25684	37.6
573.25592	2.4
580.22314	3.3
588.23383	2.7
598.23529	29.3
599.23999	3.3
616.24585	43.9
616.35211	3.5
617.25458	4.4
640.24219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
54.29128	1.0
55.01855	3.7
55.05504	16.5
56.05025	2.9
57.03428	2.3
57.07062	15.7
59.04989	3.1
60.04506	1.4
60.54756	1.2
61.01122	1.3
61.02905	1.2
64.59664	1.0
65.03921	2.2
67.05489	11.5
69.03419	4.9
69.07054	100.0
70.02927	1.1
70.06576	29.9
70.21491	5.0
71.04978	7.1
71.06874	2.1
72.08142	6.7
74.00634	1.2
74.06047	2.3
76.02216	2.5
79.05485	4.5
79.06058	1.0
81.03384	5.8
81.07037	11.6
82.06572	1.8
83.04961	2.7
83.08601	42.4
84.04482	4.8
84.08124	10.1
85.02887	21.2
85.06532	2.2
86.09694	21.4
87.00820	4.1
87.04467	2.3
88.03981	1.4
89.06004	16.8
91.05447	5.7
92.04994	1.6
93.07027	6.7
94.06545	6.7
95.04952	3.0
95.08585	11.8
96.08097	2.5
97.02868	3.4
97.06505	2.5
97.10191	2.0
98.06072	1.8
99.04440	3.7
99.05523	1.3
99.08105	1.7
100.11264	1.2
101.07145	1.7
102.05543	2.1
103.05444	2.3
103.07497	1.5
104.04913	1.3
105.01862	5.0
105.07019	5.1
106.06572	2.1
107.04927	1.6
107.06954	1.5
107.08588	4.4
108.04457	3.9
108.08096	3.7
109.02848	5.7
109.06496	2.1
109.10130	8.5
110.06039	2.2
110.07140	3.6
119.04935	2.3
119.08567	3.2
120.08093	11.3
121.08445	1.9
121.10123	3.0
122.05968	1.5
122.09653	2.0
123.11691	1.9
124.07624	1.4
125.09541	1.5
125.13238	10.5
127.03916	10.1
129.10199	6.9
130.08601	1.5
131.08533	2.8
132.08069	1.3
133.08554	13.9
133.10101	2.1
134.05986	18.8
135.06348	5.8
135.11694	2.2
136.07552	8.6
137.05937	1.4
137.07971	1.6
137.09630	1.5
138.05463	10.8
138.09105	7.5
139.05844	1.9
139.09468	1.5
143.14299	2.0
145.04935	3.2
145.10156	2.1
146.05948	2.3
147.11594	1.5
150.05450	2.2
151.09584	7.9
152.03493	1.4
152.07057	1.9
157.09972	1.8
159.02887	1.7
159.07950	1.7
162.05560	1.5
163.11180	1.6
165.16399	2.9
166.04977	7.3
167.05377	1.3
168.06551	1.4
168.13802	1.4
169.09975	1.3
173.09492	1.3
178.04955	27.0
179.05321	8.8
180.06598	1.6
183.09109	1.9
183.17471	3.8
184.09770	2.6
185.10713	1.9
191.12810	4.5
197.10651	3.7
198.11194	1.3
201.12305	2.3
207.09233	1.5
208.09756	1.6
209.10602	1.3
209.13802	4.2
210.07521	1.2
210.11325	5.7
211.08571	1.5
211.11951	5.1
212.10783	2.6
213.10634	1.3
214.10596	1.6
220.16878	6.2
222.18457	2.3
223.12688	1.1
224.09633	1.3
225.10193	2.6
226.10724	2.2
227.11688	4.1
228.09056	1.3
228.12059	1.3
229.09718	2.2
229.13318	3.1
230.11801	2.1
230.13705	2.8
238.17941	15.7
239.08138	2.1
239.11765	2.1
239.18718	6.3
239.68988	2.1
240.08464	1.7
240.12265	1.8
240.19591	8.9
241.09787	1.5
241.19897	3.5
243.11400	4.5
244.11694	1.9
245.12839	3.9
246.13103	1.7
253.09636	4.2
254.09973	3.2
255.11279	2.1
256.11777	1.6
256.19168	2.4
257.12820	6.2
258.13196	3.9
267.11194	2.3
269.12799	3.4
270.09921	3.0
270.13135	2.0
271.10797	12.8
272.11328	17.4
273.11893	9.0
274.12756	2.1
279.07571	1.3
283.10822	2.4
284.11249	2.1
285.12329	15.8
286.12631	13.8
287.05682	1.7
287.13757	2.1
295.10934	1.4
296.11029	1.8
297.09055	1.3
297.12201	1.9
299.10193	3.0
300.10977	1.6
301.11725	26.5
302.12100	17.3
303.05042	2.9
303.13287	11.7
304.13687	7.7
309.12323	2.1
313.11990	3.1
314.12265	4.2
315.13351	1.7
333.26288	87.5
337.11832	1.6
351.27371	41.2
368.24121	1.9
369.14322	3.3
369.18570	1.3
421.19482	2.2
438.20718	3.0
439.20609	4.3
451.22510	1.4
460.18640	2.2
475.35477	2.6
477.36691	2.4
492.21252	5.3
530.24768	4.0
540.22223	1.4
570.24115	18.9
571.25177	2.7
572.25684	37.6
573.25592	2.4
580.22314	3.3
588.23383	2.7
598.23529	29.3
599.23999	3.3
616.24585	43.9
616.35211	3.5
617.25458	4.4
640.24219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.5
55.05508	16.8
57.03413	5.0
57.07060	5.3
65.03928	1.6
67.05496	37.9
69.07059	19.7
71.08629	2.2
71.58022	3.3
74.76142	1.3
79.05483	17.6
81.07046	44.5
83.08614	11.8
85.06506	1.3
85.10150	1.7
89.05997	3.0
91.05468	18.0
93.07033	28.4
95.04945	2.8
95.08599	35.7
97.06512	2.2
97.10163	5.1
105.07006	17.8
107.08578	20.5
109.10157	18.0
111.11754	1.8
117.07011	5.6
119.08561	17.9
121.10126	15.9
123.11736	6.7
125.09636	1.9
125.13257	1.4
131.08549	10.5
133.08563	2.1
133.10100	11.1
135.11673	10.9
137.13248	2.6
141.39563	1.2
143.08539	1.9
145.10110	10.9
147.11659	10.3
149.13274	5.2
152.51976	1.4
157.10178	2.5
159.11665	9.1
161.13220	7.4
163.14828	3.5
171.11710	3.0
173.13181	7.3
175.14818	3.9
177.16377	2.5
185.13203	1.9
187.14767	2.4
199.14842	1.5
201.16344	2.6
205.19701	1.6
215.18076	1.5
231.20970	2.1
241.19487	2.1
257.55264	1.5
259.20621	2.5
261.22040	6.5
263.23825	1.8
264.80063	1.4
333.24524	1.9
335.25778	9.2
337.27313	8.4
339.28845	2.5
360.52216	1.3
475.35367	1.9
523.45056	5.0
541.46173	2.0
573.44489	2.2
597.48749	12.5
615.49756	100.0
616.50397	2.0
627.53900	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	615.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.84730	1.1
55.01844	1.0
55.05257	1.4
55.05500	17.8
56.94242	0.9
57.03424	5.3
57.07064	5.8
60.99324	0.9
65.03943	1.3
67.05494	43.6
69.07056	21.5
69.07405	1.6
70.04958	5.0
71.04986	2.1
71.08630	2.7
79.05480	22.7
79.05904	1.9
81.07041	51.3
83.08611	17.4
85.06537	2.3
85.07633	1.8
89.06011	1.2
91.05462	17.0
92.81637	0.9
93.07030	31.6
93.07619	1.8
95.04971	2.5
95.08591	44.8
96.07240	1.0
97.06528	4.4
97.10165	9.3
98.20791	1.3
99.08045	2.1
104.43254	1.1
105.07011	20.8
107.08572	21.4
109.10138	19.5
109.10819	1.5
111.08096	1.7
111.11710	1.7
117.07027	4.9
119.08558	19.3
121.10133	18.9
123.11708	9.9
123.90163	1.1
125.09583	1.9
129.06966	2.0
131.08556	12.0
133.08615	1.6
133.10103	14.9
135.11668	13.2
137.09581	1.3
137.13280	2.3
143.08562	3.8
145.10115	11.2
147.11678	12.1
149.13226	8.3
151.14818	1.9
157.10101	3.0
159.11661	7.1
161.09680	1.3
161.13237	8.5
163.14702	5.8
164.15190	0.9
169.10051	1.5
171.11710	2.8
173.13237	7.9
175.14777	4.7
177.16344	2.1
185.13310	3.0
187.14816	3.7
189.16415	2.2
191.17931	1.4
199.14838	2.2
201.16426	2.9
203.17818	1.5
215.17885	1.7
219.21075	1.5
225.16353	1.1
231.21205	1.3
233.22668	2.3
238.18056	1.9
239.18242	1.5
240.19498	1.4
241.19656	1.5
243.21001	3.1
259.20621	4.4
261.22104	7.7
273.72775	1.0
289.25140	1.1
315.23026	1.0
317.25021	1.6
333.24438	2.6
335.25735	9.4
337.27289	11.4
339.28952	4.6
345.28000	1.1
350.66150	1.0
375.28772	1.1
475.35358	2.0
505.38321	1.3
505.44910	1.2
523.45233	3.6
541.46375	1.8
597.48694	12.4
615.49738	100.0
616.49915	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	615.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42839	0.6
55.05548	0.9
60.42657	0.8
65.03983	1.2
66.06044	0.7
67.05563	1.3
69.03436	0.8
69.07101	1.7
70.06654	5.0
71.05041	1.1
72.08224	1.0
80.05070	0.8
81.07110	1.8
83.08653	0.9
84.08199	0.8
85.02982	2.4
86.09785	2.5
89.06081	0.8
91.05519	1.6
93.07132	2.6
94.06555	5.8
95.05006	1.2
95.07465	0.9
95.08655	1.7
96.08133	3.7
97.10263	1.2
98.21455	1.7
105.07080	1.1
106.06586	1.4
107.08654	1.1
108.04558	2.9
108.08103	6.4
109.10216	1.3
110.09677	5.5
110.69191	0.8
116.05048	0.9
116.22672	0.7
119.08630	0.9
120.08087	4.9
121.06519	0.7
121.10162	0.7
122.06113	2.6
123.08109	0.8
124.07683	2.1
127.03938	0.9
131.08586	1.0
132.08211	1.0
134.05997	10.8
136.07677	3.3
138.05496	3.9
138.09120	28.6
144.08174	0.7
146.05952	4.8
152.07172	1.0
160.04041	1.4
162.05609	1.8
166.04979	3.9
168.08173	1.0
172.03920	4.3
174.05586	1.7
176.07211	3.3
178.04974	14.5
183.09270	1.3
184.11424	0.8
185.10814	1.2
188.06976	0.8
190.05103	3.3
196.10028	1.3
197.10910	1.0
204.06552	8.2
205.12422	1.0
207.09279	1.1
208.09981	1.0
209.10866	1.9
210.11478	3.9
211.08563	3.5
211.12479	2.1
212.10927	1.4
213.10361	2.0
220.17004	0.9
223.08772	1.4
224.09505	2.2
225.10168	6.8
226.10989	1.3
227.11748	4.2
229.09840	1.5
229.13507	2.3
230.11824	2.3
235.08727	0.9
236.09473	1.3
237.10378	2.3
238.11043	2.0
238.18155	2.9
239.08333	2.6
239.11707	4.8
239.18472	0.8
240.19742	2.8
241.09825	3.1
241.13284	1.0
242.11903	1.1
243.11424	2.7
245.12923	2.4
249.10277	2.0
250.07335	1.0
251.08189	1.0
251.11922	1.9
252.08881	1.4
253.09679	5.2
255.11391	2.8
255.15016	1.0
257.09317	1.5
257.12805	4.6
259.14548	1.0
263.08347	1.1
264.09012	1.4
265.09879	2.6
266.10458	1.0
267.11255	3.4
269.09686	1.1
269.12991	4.8
271.10745	11.0
272.11511	10.6
273.12457	2.4
277.09772	1.9
279.11279	2.3
283.10754	6.3
284.11426	6.1
285.12308	17.6
285.15155	1.1
286.06015	0.8
286.13312	2.2
287.13919	3.5
289.13452	1.2
295.10678	3.8
297.12320	15.8
299.14096	1.4
301.11823	10.2
303.13348	10.7
307.07269	1.5
311.10544	0.7
312.15054	2.5
313.11703	4.0
314.12946	3.0
315.13638	2.0
316.14813	1.2
319.10281	0.8
321.08566	1.7
323.10403	2.3
323.14188	0.8
326.16626	3.5
327.17447	2.3
328.11108	0.8
328.14621	2.5
329.11615	1.4
329.15192	5.4
330.15985	3.4
331.13205	0.9
339.09900	1.1
340.14404	1.3
341.11536	0.9
342.12463	6.3
342.15866	1.2
343.13406	1.9
344.17484	1.5
349.24167	0.9
354.12247	1.7
355.13614	2.4
356.13898	8.0
357.07169	2.6
357.14825	3.0
358.15363	9.4
369.10883	1.5
370.11768	1.7
370.15649	4.9
371.16318	2.2
372.17023	2.4
373.13892	1.0
382.11929	7.2
383.12772	3.9
384.13141	7.2
384.16980	1.2
385.14319	3.2
386.14902	0.9
386.18698	8.9
388.16473	0.8
397.14728	1.1
398.14920	24.5
399.15735	52.5
400.16254	1.7
404.15863	1.6
412.16611	2.7
414.18118	2.8
416.16043	7.8
417.17065	1.2
420.19266	1.8
422.15335	1.5
427.44888	0.8
430.17578	5.9
431.18497	1.0
438.20218	2.7
440.16107	3.8
446.17072	7.3
458.17056	100.0
459.17520	1.7
472.18994	2.0
477.36548	1.3
478.19339	2.4
490.19669	90.3
491.19745	1.1
529.24188	2.3
565.24188	1.7
569.23956	2.0
571.25470	18.2
572.25598	1.0
579.21863	1.7
583.25452	19.7
584.25641	1.1
597.23285	12.5
615.24249	25.1
615.35364	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	615.2436
Annotation	Chlorophyllide a
Peak:m/z	Relative Intensity
53.95103	0.6
55.01859	1.1
55.05499	1.3
56.05014	0.6
57.03398	0.6
59.05029	0.5
60.04510	0.5
65.03916	2.7
67.05496	1.5
69.03411	1.4
69.07050	2.3
70.06581	7.2
71.04976	1.2
72.08159	1.2
73.02914	0.5
79.05470	2.1
80.04998	1.0
81.03385	0.5
81.07047	2.9
83.08606	1.0
84.04487	1.1
84.08113	1.6
85.02888	3.1
86.09705	3.9
87.00835	0.7
91.05457	2.0
92.04981	1.9
93.07010	2.4
94.06550	7.2
95.04934	1.1
95.07327	0.9
95.08582	1.8
96.08111	4.5
97.02905	0.5
97.06493	0.9
97.10130	0.7
98.21548	1.2
100.27708	0.5
100.66757	0.5
101.98399	0.6
104.04986	1.3
105.07005	2.0
106.06554	1.5
107.07299	1.7
107.08586	1.8
108.04484	4.0
108.08114	5.9
109.02876	0.7
109.06496	0.9
109.10130	0.9
109.41604	0.5
110.05988	0.7
110.07105	0.6
110.09668	5.8
116.04953	0.8
118.06543	1.0
119.08541	0.8
120.04448	1.1
120.08087	7.3
121.06464	0.8
121.10100	0.6
122.06009	3.3
122.09587	0.6
124.07563	2.9
127.03922	0.9
129.10199	0.8
131.08568	0.7
133.10120	0.9
134.06003	14.3
135.11664	0.9
136.07558	5.8
138.05486	8.1
138.09116	33.1
144.04417	1.7
144.08054	1.0
146.05975	4.6
146.10466	0.5
147.11658	0.6
148.07544	1.0
149.09575	0.6
150.05426	0.7
152.03441	0.9
152.07080	0.9
154.08615	0.7
157.08899	0.7
157.10115	1.3
159.09148	0.8
159.11620	1.1
160.03931	1.8
162.05476	1.5
163.05002	0.8
164.07057	1.3
166.04971	6.1
167.08450	0.6
172.03903	4.5
172.07558	0.9
173.13220	0.7
174.05458	2.6
176.06999	2.8
178.04967	28.1
180.06540	1.7
182.09717	0.8
183.09117	3.0
184.09918	1.4
185.10762	1.8
186.12730	0.6
188.07100	0.7
190.04941	3.6
192.63852	0.5
195.09233	1.1
196.09904	2.3
197.06949	0.7
197.10703	2.2
198.07597	0.8
198.09212	0.8
198.11493	0.7
199.08466	1.0
199.12285	1.1
200.09355	0.8
201.10193	1.3
201.13904	0.8
204.06534	8.5
205.12199	0.9
207.09186	1.7
208.09782	0.9
209.10744	2.9
210.11488	6.6
211.08641	5.3
211.12218	1.9
212.09007	0.9
212.11005	2.8
213.10072	3.3
213.13829	0.8
214.10582	0.9
214.12250	2.1
220.16989	2.0
221.10612	0.8
222.18520	1.8
223.08661	2.5
223.12352	0.6
224.09233	3.4
225.10190	9.5
226.08859	0.9
226.10944	1.9
227.08180	0.6
227.11737	5.8
228.08992	0.7
229.09740	2.9
229.13289	2.9
230.11801	2.7
235.08763	0.8
236.09439	1.5
237.06506	0.7
237.10190	3.2
238.11002	1.9
238.17969	5.2
239.08119	2.9
239.11726	7.3
239.18597	0.9
240.10175	1.7
240.19557	2.9
241.09579	4.1
241.13333	1.3
242.11702	2.4
243.11305	4.7
244.09543	0.7
245.12793	3.9
249.10263	2.9
250.07097	0.8
250.11017	0.7
251.08153	1.9
251.11765	2.4
252.08849	1.3
253.09668	7.7
254.10371	0.6
255.11234	2.4
255.14868	0.7
257.09174	1.3
257.12817	8.0
259.14459	0.9
263.08243	1.3
264.08978	1.8
265.09604	3.3
266.10434	1.7
267.11234	5.6
269.09525	1.3
269.12833	7.5
270.10025	0.8
271.10733	15.6
272.11508	14.1
273.12259	2.8
275.13998	0.8
277.09723	1.9
278.10526	0.7
279.07645	1.6
279.11310	2.5
283.10703	9.8
284.11438	6.3
285.09082	1.3
285.12277	23.6
286.13025	1.9
287.13913	5.2
289.13171	1.8
291.11356	0.7
295.10709	3.5
297.08752	1.3
297.12317	17.3
298.09628	1.0
298.12930	1.0
299.10324	1.2
299.13821	1.2
301.11783	15.7
302.12384	0.9
303.13379	14.2
304.13925	0.7
307.07043	2.0
311.10324	1.6
311.14120	1.5
312.15042	3.5
313.11716	4.9
314.12872	2.9
315.09958	1.3
315.13605	3.3
316.14313	1.3
321.08618	2.3
323.10333	2.9
323.13693	0.6
326.13034	1.0
326.16348	4.0
327.13913	1.3
327.17258	2.6
328.10971	1.0
328.14484	3.4
329.11343	1.6
329.15137	4.7
330.12497	1.0
330.15961	3.4
331.13010	1.2
331.16647	1.2
331.22546	1.2
337.11865	0.7
339.09906	2.0
340.11069	0.9
340.14697	1.0
341.11932	1.0
342.12323	8.1
342.15967	1.0
343.13129	2.1
343.16928	0.9
344.13876	1.1
344.17639	1.7
349.23914	1.1
352.14380	0.6
354.12476	1.7
354.16214	1.4
355.13556	2.3
356.13806	8.8
357.07205	6.8
357.10748	0.5
357.14594	3.1
358.15442	10.9
366.16068	1.0
367.24683	0.9
368.13989	0.7
369.11053	1.4
369.15021	0.8
370.11914	0.8
370.15576	5.9
371.16330	3.3
372.17087	2.0
374.18781	1.5
376.16428	0.7
382.11728	7.8
383.12537	4.7
384.13242	8.4
384.17279	0.8
385.14087	3.4
386.14633	1.1
386.18713	8.0
388.16379	1.4
390.18283	1.2
394.15576	1.9
396.17297	1.0
397.14786	2.0
398.10507	0.4
398.14923	26.0
399.15707	53.5
400.16364	2.9
402.18323	1.2
404.15808	1.5
406.17752	1.0
412.16629	2.3
413.16980	0.7
414.18295	4.2
416.15930	6.3
417.16574	1.5
418.18329	0.7
420.19019	2.2
422.15329	1.1
430.17590	7.1
431.18369	1.1
438.20264	5.4
440.15933	4.9
443.14957	0.8
444.15317	0.8
446.17065	8.9
450.16437	0.9
458.17053	100.0
459.17358	4.6
460.18481	0.7
472.18631	2.6
477.36801	1.9
478.19913	3.0
479.38327	1.1
490.19669	87.5
491.20145	3.3
529.24402	2.1
563.01434	0.6
565.24390	1.9
569.23682	3.8
571.25464	24.8
572.25757	1.9
579.22357	3.6
583.25403	21.5
584.25739	1.2
597.23248	19.7
598.23267	1.6
615.24359	38.7
616.24365	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	615.2439
Annotation	Chlorophyllide
Peak:m/z	Relative Intensity
58.66629	0.6
65.03932	4.4
67.05479	1.1
69.07035	1.4
69.30119	0.6
70.06544	2.2
70.86270	2.0
71.04959	0.9
77.03892	2.0
79.05445	1.2
82.06552	0.8
83.08585	1.2
91.05412	1.3
92.04977	4.2
93.07025	0.9
94.02912	1.1
94.06049	0.7
94.06559	8.6
95.04927	1.9
104.04953	4.0
105.04512	0.7
106.06515	2.5
108.03806	0.8
108.04463	11.2
108.08073	1.0
118.06522	0.8
120.04427	1.6
120.08048	3.0
122.05984	1.8
133.08496	0.6
134.05994	39.1
136.07559	11.5
138.05487	20.1
138.09117	8.6
144.08095	1.1
146.05995	4.6
150.05457	1.4
152.03416	3.5
154.06450	1.4
154.08574	0.6
156.08040	1.0
157.08739	1.1
157.09964	1.2
160.03911	1.6
160.07469	1.1
162.05441	2.6
163.04991	2.7
164.06985	1.2
166.03716	1.1
166.05000	13.3
166.06398	0.8
168.08087	1.4
170.08342	1.4
170.09662	1.5
172.11217	0.8
178.04970	62.1
179.05269	1.6
180.06467	3.0
180.07887	0.8
181.07538	1.0
182.08316	0.9
183.09119	6.4
184.07600	0.7
184.09868	2.7
184.11212	2.3
185.10756	5.0
186.11366	1.2
186.12833	1.1
190.04919	0.8
194.09669	0.8
195.09164	1.0
196.10017	3.4
197.10689	4.4
198.07706	1.2
198.09323	0.8
198.11398	1.6
199.08508	1.5
199.12244	1.7
200.10675	2.1
201.10153	2.4
201.13863	1.2
202.12254	1.3
207.09137	3.4
208.06068	1.1
208.09889	2.4
209.07034	1.2
209.10706	4.4
210.11488	14.5
211.08691	4.6
211.12198	4.7
211.26991	0.6
212.09064	1.8
212.10994	5.6
213.06564	0.7
213.10086	5.6
213.13870	2.7
214.12503	5.2
215.11607	1.1
220.16922	0.7
223.08632	1.5
224.09331	1.1
225.10202	6.9
226.08549	1.1
226.10875	1.6
227.08127	1.9
227.11711	8.1
228.08644	1.2
229.09714	4.1
229.13351	5.4
230.11766	5.7
237.10043	0.7
238.18005	1.2
239.08125	7.2
239.11699	4.5
239.18637	1.0
240.10100	2.9
240.19528	0.9
241.09647	5.1
241.13460	1.7
242.10121	1.7
242.11659	4.0
243.11270	10.6
244.09590	1.4
245.12819	8.5
250.07123	1.8
251.08151	1.5
253.09666	11.4
254.10480	1.0
255.07498	1.2
255.11264	10.2
257.09183	2.4
257.12808	19.2
259.14423	1.3
260.12689	0.8
265.09735	1.0
267.07971	0.6
267.11252	4.7
269.09183	3.1
269.12784	10.6
270.09875	2.5
271.10736	37.6
272.11487	32.5
273.08850	1.2
273.12259	8.4
274.09399	0.8
275.14001	1.0
279.07562	2.9
283.10730	8.1
285.12299	49.2
286.12555	1.9
287.13779	6.0
293.09128	0.7
295.10696	3.9
297.08762	1.6
298.09418	3.3
299.10175	5.0
301.11789	100.0
302.12106	3.5
303.13348	30.3
303.16858	1.5
307.06891	3.9
311.09985	0.9
313.11746	9.7
315.09634	2.7
329.11432	3.3
330.12238	1.0
331.12817	1.2
339.09659	1.3
342.08444	1.2
357.07095	1.6
357.11142	1.3
378.18073	1.2
399.16068	0.8
406.17676	2.4
416.15903	1.8
418.17795	1.2
420.19333	6.1
436.18661	3.1
438.00986	0.8
438.20227	9.0
450.16537	2.2
458.16980	2.1
462.16479	1.6
490.19766	1.7
527.22949	2.2
529.24353	3.7
551.22839	1.6
553.24707	1.4
569.14661	1.2
569.23895	41.9
570.24060	2.6
571.25452	70.3
572.26001	4.4
579.22314	5.5
597.23358	62.1
598.23279	4.1
615.24396	65.9
616.24426	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	615.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.2
55.05488	0.8
56.05030	0.3
56.67078	0.2
57.07047	0.3
59.04969	0.3
65.03930	1.4
69.03413	0.3
69.07037	0.8
69.93863	1.2
70.06580	2.5
71.04963	0.8
72.08142	0.7
76.80668	0.2
78.96276	0.2
79.05465	0.5
81.07027	0.7
83.08601	0.8
84.04505	0.4
84.08115	0.6
85.02885	1.0
86.09696	1.6
91.05433	0.5
92.04988	0.7
93.07034	0.5
94.06551	0.3
95.08575	0.7
97.10152	0.6
103.03934	0.3
105.07007	0.5
107.08618	0.4
109.10167	0.3
110.07164	0.3
110.20803	0.2
120.08069	0.6
121.06399	0.2
121.10126	0.3
122.09606	0.3
124.03928	0.2
129.10236	0.5
132.04469	0.3
133.10110	0.3
138.05441	1.3
138.09111	0.4
147.11786	0.2
152.03380	0.4
154.32335	0.2
160.03896	0.3
165.08995	0.2
166.05000	2.1
166.06308	0.3
170.05931	0.4
178.05026	0.7
179.76051	0.2
181.07553	0.4
182.05981	0.3
183.09167	0.3
184.07582	0.4
193.07538	0.3
195.05577	0.3
196.06285	0.2
197.07068	0.4
209.07118	1.4
211.08627	0.7
212.10576	0.5
213.06589	0.4
213.10330	0.3
214.04953	0.6
220.16893	0.5
221.07175	0.3
222.18486	0.3
223.05046	0.5
225.06503	0.5
229.13208	0.3
230.11694	0.2
237.06519	3.3
238.07329	0.3
238.17982	2.0
239.08101	1.3
239.18611	0.3
240.19586	1.7
241.06039	0.8
241.13341	0.3
243.11209	0.5
251.04457	0.3
265.06033	6.0
267.07593	4.0
269.05515	0.6
271.07092	2.1
272.11594	1.2
277.06070	0.9
282.06299	5.2
283.07056	0.7
285.09058	0.3
285.12274	1.0
293.05515	1.6
295.07047	1.8
297.05096	0.5
298.05737	0.4
303.13266	0.4
308.04288	4.0
309.04514	0.3
311.06552	6.7
313.08188	1.2
315.06042	5.9
326.05273	3.0
331.24942	0.5
332.25201	0.3
339.06073	5.7
357.07111	100.0
358.07379	1.3
374.10275	0.2
475.35086	0.3
477.36725	1.2
479.38208	0.5
555.18500	0.4
569.19934	0.3
571.28021	0.4
582.14325	0.3
597.19574	2.1
615.19904	2.5
615.35529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38414	0.5
55.01845	0.5
56.05020	0.7
63.02367	0.7
69.03397	0.7
69.82162	2.0
69.82587	1.5
70.06583	6.2
72.08126	0.8
79.05458	1.2
84.04483	1.5
84.08124	3.4
85.02876	1.5
85.03996	0.6
86.09698	3.4
89.03387	0.8
89.03903	7.5
91.05415	0.8
97.02866	1.1
103.02431	2.0
107.04938	2.1
110.07140	3.6
117.03365	7.8
119.01897	1.7
119.04925	1.0
121.03467	1.7
123.05538	0.8
127.03864	0.7
129.10226	1.6
130.05058	0.6
131.01886	3.3
132.95799	1.2
133.03455	0.9
134.97438	0.7
135.04385	21.2
136.06149	0.8
136.07564	1.1
142.03384	0.4
143.01907	1.8
145.02789	15.3
145.03815	0.9
147.04283	2.5
149.02846	1.2
150.96814	0.9
155.01857	1.0
157.03455	1.9
158.97424	0.6
161.02969	4.2
161.06540	0.7
163.03883	92.8
164.04256	1.7
171.04909	0.5
171.46577	0.5
173.02963	3.6
173.06601	0.9
174.96869	3.4
175.04510	1.7
175.08110	1.3
178.97929	0.5
185.00963	2.7
186.96848	0.6
187.04593	0.6
187.08131	1.2
193.03458	3.2
193.09224	0.6
195.05006	0.8
199.00549	0.9
199.08133	2.3
201.02458	0.7
203.01926	3.3
203.03792	0.9
203.13899	1.5
209.02940	1.6
211.00398	0.7
211.04507	0.9
211.08061	0.9
213.05965	0.6
217.09215	5.8
221.02934	100.0
221.04897	5.5
222.03180	1.7
227.04074	0.7
229.03633	0.6
229.09169	4.9
231.04326	0.8
231.10660	0.9
234.98941	1.6
239.03981	34.3
240.04092	0.8
241.09229	1.0
243.10788	0.6
244.04466	4.9
245.05087	2.8
247.04488	21.2
253.09262	1.3
257.02823	1.7
257.05078	6.6
259.06720	0.9
259.10239	1.0
265.05548	5.5
267.01038	0.6
270.06128	1.5
273.02435	1.8
273.08173	0.7
275.03976	12.4
283.06607	7.9
289.11255	1.1
291.03506	1.5
293.05035	8.1
293.10596	0.7
295.03027	1.2
298.05539	0.9
301.01859	3.7
301.11212	1.2
309.04074	2.5
311.06030	4.8
319.02856	54.9
319.12311	22.3
320.03302	1.0
327.05664	1.5
334.07779	0.6
337.03940	6.7
337.13391	1.3
347.03940	15.4
355.05042	7.7
357.06937	1.0
360.05667	1.4
365.04977	16.8
383.05905	4.2
388.06622	1.1
401.07120	4.4
419.08206	10.4
425.47253	0.6
473.09528	2.6
481.05865	0.7
499.16794	4.9
557.96283	0.6
614.30719	0.5
615.18292	3.0
615.28058	0.8
615.31830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.0
53.03932	0.8
55.01846	1.0
55.05507	12.5
55.40126	0.8
57.07066	100.0
59.04991	24.6
67.05481	4.4
69.03411	2.7
69.07053	5.6
69.70222	6.2
71.04977	1.8
71.08621	75.9
73.06539	1.6
79.05478	3.2
81.07043	3.1
83.04971	3.8
83.08145	1.4
83.08607	19.9
85.06519	1.2
85.10172	62.1
87.04461	8.2
89.06017	79.1
91.05448	4.2
91.07579	0.9
93.07027	5.7
95.04960	3.1
95.08600	5.8
95.37376	0.8
97.06516	9.2
97.10137	3.8
99.11720	13.0
101.09654	2.0
103.07555	0.9
105.07001	8.3
107.07058	3.4
107.08577	11.1
109.06505	2.2
109.10184	1.8
111.11722	0.8
113.06002	0.9
113.09639	5.3
113.13248	4.3
117.06998	1.5
117.09109	4.9
119.08557	6.1
121.06501	0.9
121.10139	4.8
123.08025	3.0
125.09621	5.2
127.14819	1.0
129.06985	1.3
130.08607	4.5
131.07014	3.3
131.08562	2.8
133.08585	67.4
133.10152	3.6
135.08052	0.8
135.11667	1.1
137.05943	0.8
137.09613	1.8
139.11177	5.0
141.06976	0.9
142.07759	1.7
143.08556	3.0
145.10129	4.7
147.07983	0.9
147.10175	1.0
147.11678	2.0
149.09543	2.1
153.12689	1.4
155.08504	2.2
155.10611	3.8
155.17938	11.7
157.10101	6.0
159.08058	1.2
159.11694	2.7
161.09668	1.0
163.11136	1.0
165.06992	1.4
167.08521	1.0
167.10648	1.0
169.10141	3.2
170.10878	1.2
171.10327	1.1
171.11641	4.1
175.09639	2.0
175.11099	1.1
177.11203	28.8
179.08417	1.0
179.14308	1.3
181.10139	2.3
181.12206	9.1
182.10956	1.0
183.11668	2.3
185.09671	0.8
185.13196	1.6
189.12706	1.1
191.12729	1.0
193.10156	1.8
195.11829	2.4
195.13773	2.0
196.12318	0.9
197.13208	2.8
199.11215	1.5
199.14792	1.1
207.11699	2.6
207.13667	1.7
208.12498	1.3
209.13260	2.8
211.14879	1.3
213.12791	1.2
213.22101	25.5
215.14278	1.1
219.12105	1.1
220.12404	0.9
221.13535	7.5
221.15428	3.6
223.14952	2.6
231.11575	1.3
233.15324	1.4
235.14835	1.3
239.14825	3.6
241.15862	1.2
245.13153	1.0
246.14017	1.0
247.17009	2.1
254.24748	2.2
261.16385	2.6
263.18005	1.1
265.16592	1.2
271.26318	11.9
275.18024	0.8
277.19531	1.3
283.17426	3.0
285.18491	3.1
298.19217	2.3
299.20068	3.7
309.18872	2.2
311.20023	1.7
323.19968	1.5
327.20050	24.2
351.22830	0.9
363.23135	1.0
364.23972	1.8
367.23178	2.6
371.22836	2.0
385.24258	5.4
415.25354	14.5
425.27356	1.1
429.27826	2.0
454.28561	1.1
507.33145	0.8
597.38080	1.7
597.45782	2.7
614.26508	1.2
614.48602	9.5
615.40540	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	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02383	0.8
53.03930	1.3
53.14027	0.8
53.37183	0.7
55.01855	1.0
55.05503	12.8
55.83976	0.6
57.03427	4.8
57.07063	2.8
64.73417	0.9
65.03925	2.3
67.05495	37.8
69.07059	13.8
71.04979	1.9
71.08620	1.3
75.98271	0.7
79.05482	22.4
81.07043	46.7
83.04964	2.3
83.08604	8.2
85.06540	1.8
89.05993	1.0
91.05443	16.0
93.07028	28.5
95.04969	2.6
95.08595	34.5
97.06533	1.8
97.10154	3.4
99.08129	0.8
100.26044	0.7
105.07019	17.4
107.08582	20.1
109.06512	1.8
109.10146	19.4
109.10893	0.9
111.04417	1.5
111.08092	1.5
111.11722	1.0
117.06986	8.0
119.08565	17.1
121.10123	16.2
123.07990	1.0
123.11683	7.5
125.09671	1.5
128.06175	0.8
129.06993	3.6
131.08551	14.3
133.10114	15.3
135.08113	0.9
135.11688	10.2
137.05951	7.0
137.13297	2.6
143.08525	4.8
145.10104	12.5
147.11668	10.9
149.09731	1.5
149.13223	6.7
151.07625	0.9
157.10123	4.2
159.11674	11.3
161.09679	1.2
161.13225	7.9
163.14841	2.5
169.10098	1.3
171.11665	4.0
173.13228	10.0
175.14854	3.1
177.16382	2.2
183.11713	2.7
184.44028	0.8
185.13319	3.5
187.14778	4.1
189.16383	2.1
191.17786	0.9
197.13342	1.5
199.14815	2.5
200.73454	0.9
201.16403	3.3
203.17938	1.9
211.14862	1.3
213.16423	1.9
215.18015	1.9
217.19540	1.8
225.16425	1.0
227.18105	1.4
229.19553	1.3
231.17404	1.1
238.17996	1.2
241.19572	3.5
243.21046	1.9
249.18431	1.2
259.20541	5.3
261.22092	7.4
263.23770	1.3
273.22351	0.9
277.17972	5.9
285.22302	1.4
295.19067	1.4
299.23721	1.5
307.22678	0.9
333.24121	4.9
335.25781	11.4
337.27261	6.3
341.28354	1.6
355.29800	1.0
406.81506	0.8
489.35916	1.5
517.38892	1.4
521.43115	3.7
529.39001	1.2
539.44916	1.5
595.47180	8.5
613.48230	100.0
614.48419	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03928	2.1
55.01871	0.8
55.05504	14.3
57.03430	4.8
57.07061	2.4
65.03925	1.2
67.05497	43.0
69.06702	1.2
69.07059	15.0
71.04985	0.8
71.08636	0.7
71.46978	1.5
74.77275	0.5
77.74298	0.5
79.05485	23.1
81.07047	45.7
83.04964	1.3
83.08606	7.5
85.06503	1.4
91.05470	17.8
93.07032	30.7
95.04947	2.4
95.08595	41.7
97.06519	2.3
97.10166	4.2
99.08053	0.8
103.05537	0.7
103.52448	0.7
105.07020	19.6
107.08584	19.9
109.06522	1.0
109.10149	20.9
111.08060	1.5
111.11713	1.0
115.05499	0.8
117.07012	7.7
119.08572	19.3
121.10133	15.6
121.12562	0.5
123.08070	1.2
123.11681	8.6
125.09596	1.0
128.06279	0.6
129.06963	4.1
130.07732	0.8
130.43565	0.6
131.08553	13.9
133.09091	1.0
133.10110	18.2
133.11053	1.3
135.11678	12.7
137.13223	3.4
139.11171	0.9
141.06860	0.8
143.08557	5.0
145.10104	16.1
147.11674	12.6
149.13228	7.6
151.11121	0.6
151.14833	0.7
155.08565	2.3
157.10109	5.7
159.11674	11.6
161.13223	8.7
163.14830	2.8
167.08537	0.8
169.10063	2.9
171.11685	6.3
173.13251	10.7
175.11156	0.7
175.14803	5.4
177.12711	0.6
177.16357	1.6
181.10083	0.8
183.11754	2.1
185.13200	4.0
187.14822	5.5
189.16397	2.0
191.18010	0.9
197.13243	1.4
199.14729	3.7
201.16396	3.5
203.17882	1.0
209.13286	0.8
211.14844	1.2
213.16435	2.8
215.17972	2.0
217.19519	1.2
219.17493	0.7
225.16438	1.2
227.18076	1.2
229.19435	0.8
231.21136	1.1
239.17982	0.7
241.19530	2.8
243.21129	2.2
245.22769	0.9
247.20612	0.9
259.20569	7.0
261.22107	9.6
263.23715	1.9
271.20667	0.7
273.22208	0.7
285.22165	1.1
287.23676	1.1
299.23822	0.7
301.25269	1.3
313.25229	0.9
315.23431	0.9
315.26703	0.8
317.24817	1.8
327.27344	0.7
333.24271	5.7
335.25763	14.8
336.26053	0.9
337.27274	9.2
341.28394	0.7
347.26123	0.7
351.29172	0.6
355.30261	0.9
361.27649	0.9
369.31870	0.8
398.61429	0.7
415.32504	0.7
475.34549	1.0
489.35660	1.4
501.28345	0.7
503.37390	1.9
505.38391	0.7
517.39038	1.0
521.43939	4.2
529.38788	1.7
531.40820	1.4
539.44604	3.1
543.40344	1.7
557.42828	0.7
595.47198	10.2
613.48193	100.0
614.48651	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	613.4818
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	1.2
53.24593	0.6
55.01865	0.9
55.05499	13.2
57.03422	4.9
57.07053	2.3
65.03939	1.6
67.05492	37.9
69.07057	15.1
71.04964	1.2
71.08620	1.0
79.05007	0.7
79.05478	20.3
81.07040	43.2
82.48994	0.6
83.04980	1.3
83.08607	8.6
85.06532	1.8
91.05461	14.9
93.07028	28.0
95.04931	2.9
95.08588	33.4
96.08916	0.7
97.06508	2.7
97.10162	3.7
105.07013	19.7
107.08572	16.6
109.06476	1.6
109.10131	18.2
111.08051	1.8
111.11721	0.8
113.09680	0.7
115.05468	0.8
117.06987	7.7
119.08559	19.4
121.10117	15.3
123.08028	0.7
123.11681	7.0
125.09619	1.4
128.06218	1.0
129.06978	3.6
131.08546	14.6
133.10109	15.1
135.11662	11.1
137.05969	3.1
137.13200	2.8
141.06961	0.9
143.08557	4.7
145.10097	16.6
147.11658	11.2
149.13231	7.1
151.11171	0.7
151.14822	1.6
155.08537	1.7
156.09323	0.6
157.10118	4.8
159.11684	10.4
159.56923	0.6
161.13232	7.7
163.14772	3.5
167.08629	0.6
169.10109	1.9
171.11650	5.3
173.13229	8.1
175.11169	0.7
175.14761	4.1
177.16400	1.6
179.17867	0.6
183.11691	2.1
185.11833	0.7
185.13211	3.8
185.65903	0.6
187.14783	4.4
189.16374	2.2
191.17923	1.0
195.11708	1.2
197.13277	1.9
199.13237	0.7
199.14868	2.2
201.16347	3.0
202.31430	0.6
203.17860	0.9
205.15775	0.6
209.13234	0.6
211.14819	0.9
213.16396	2.2
215.17960	2.1
217.19612	1.1
223.14801	0.7
225.16327	0.9
227.18111	1.2
227.55760	0.6
229.19514	1.0
230.16258	0.7
231.21007	1.3
241.19556	2.3
243.21100	2.0
245.18895	0.8
245.22810	0.7
249.18454	0.8
259.20551	5.3
261.22067	7.1
263.23611	0.9
273.22229	0.6
275.23590	0.7
277.18079	2.0
277.21603	1.0
279.23047	0.7
285.22235	0.9
287.23599	1.1
293.21387	0.6
295.22885	0.6
299.23663	0.9
301.25424	0.8
305.24670	0.6
315.23212	1.0
315.26703	1.1
317.24771	1.4
325.25226	0.9
333.24106	4.6
335.25714	14.1
337.27280	6.9
341.28674	0.9
357.27798	0.7
375.28888	0.9
391.28653	0.6
424.36578	0.6
439.44363	0.6
451.35904	0.7
475.34030	0.7
477.36313	0.7
489.35645	0.8
491.37268	0.7
503.36862	1.3
517.39050	1.2
521.43512	3.6
529.38940	1.1
531.40356	0.8
539.44385	2.2
543.40491	1.5
559.43005	0.8
571.15564	0.7
595.47235	10.8
613.48169	100.0
614.48596	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	612.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40935	0.2
53.65178	0.2
55.01844	0.3
55.05511	1.6
56.05005	0.8
58.06594	2.2
65.03919	0.4
67.05495	4.7
69.07059	1.9
70.06583	8.0
71.04955	0.6
72.08135	1.4
79.05483	1.5
81.07043	8.1
82.06548	0.7
83.04930	0.3
83.08576	0.9
84.04473	0.2
84.08147	1.9
85.06503	0.5
91.05460	2.4
93.07040	2.0
93.22428	0.2
95.04933	0.4
95.08590	6.0
96.08106	1.7
97.06506	0.4
97.10123	0.5
98.05987	0.5
98.09680	3.0
104.51311	0.3
105.06997	1.1
107.08599	1.9
108.08086	0.4
109.06478	0.4
109.10145	2.3
110.09638	0.9
117.06980	0.4
119.08531	0.8
121.10135	1.2
123.08041	0.6
123.11712	0.3
124.11186	0.3
131.08533	0.6
133.10129	0.5
135.11597	0.3
137.09583	0.3
143.30345	0.2
145.10075	0.6
147.11658	0.6
149.02328	7.4
149.03474	0.6
149.09612	0.3
154.12221	0.6
164.57431	0.3
172.13303	0.3
187.14827	0.6
193.04938	8.0
194.05341	0.5
194.15390	0.5
194.18959	1.0
205.15672	0.4
212.16435	0.9
220.16878	0.5
222.18501	33.8
223.16702	0.2
223.18858	1.0
237.07518	3.3
238.07797	0.4
238.18030	1.8
240.19550	100.0
241.19873	2.3
252.94885	0.3
258.20584	0.6
260.84491	0.3
303.05084	0.4
304.05447	0.7
341.06323	0.4
359.07739	0.4
373.24893	1.4
385.09161	2.0
386.09433	0.4
429.11728	1.0
461.37585	2.4
476.36008	0.4
477.36765	1.5
479.38391	62.5
480.38748	2.6
505.36264	3.2
577.13464	2.6
578.13306	0.3
612.43604	29.9
613.34991	0.4
613.43817	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	612.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88828	0.4
52.91914	0.4
55.05505	2.1
56.01799	0.3
56.05001	1.4
58.06588	2.8
67.05497	6.3
67.95621	0.4
69.07051	3.1
69.70963	0.9
69.71375	2.6
70.06581	11.4
71.04960	1.2
72.08120	1.1
79.05476	3.1
81.07046	12.2
82.06557	1.0
83.04916	0.4
83.08583	1.3
84.04467	0.6
84.08118	3.0
85.06490	0.7
86.09639	0.4
90.67716	0.4
90.81866	0.4
91.05438	5.4
93.07028	3.4
95.08594	10.2
96.08128	3.0
98.09664	3.6
105.07000	1.5
107.08591	2.3
108.08047	0.8
109.06463	0.8
109.10136	4.3
109.71187	0.4
110.09660	1.0
117.06955	0.5
119.08533	1.3
121.10119	2.1
123.08040	1.0
123.11655	1.0
124.75122	0.4
131.08496	0.9
133.10049	0.7
135.11633	0.6
137.09630	0.4
138.12766	0.6
140.06961	0.5
143.08580	0.4
145.10075	0.8
147.11665	0.6
149.09685	0.5
154.12206	1.2
154.91992	0.4
164.35501	0.4
167.05655	0.5
187.14793	1.0
194.19032	2.9
212.16444	1.6
220.16924	2.0
222.18495	48.7
223.18884	0.7
238.18002	4.2
239.18390	0.5
240.19550	100.0
241.19933	1.5
247.44960	0.4
248.16446	0.5
258.20642	0.9
266.17551	1.8
303.04910	2.6
304.05298	1.9
342.21872	0.4
373.24939	1.9
398.54779	0.4
461.37436	1.4
468.26096	0.4
475.35339	1.2
476.35632	1.0
477.36847	5.7
478.37402	0.5
479.38403	14.9
480.38446	0.6
505.36298	5.1
612.43622	96.4
613.27155	0.5
613.43817	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	612.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
53.61739	0.5
55.01859	1.0
55.05492	0.9
56.05021	4.1
56.96554	2.5
57.03419	1.5
58.89508	0.5
60.04515	8.0
61.01147	0.5
61.02913	0.5
67.05488	0.8
69.03423	1.7
69.07039	0.8
70.02941	0.6
70.06578	35.4
71.04984	6.9
71.06889	1.3
71.58455	0.7
72.05302	0.5
72.08144	5.6
73.02876	0.7
74.06064	5.5
79.05474	1.1
81.03397	1.1
81.07029	1.1
83.04971	0.5
83.06097	1.3
84.04492	19.7
84.08129	9.2
85.02892	9.6
85.04794	0.5
86.03212	1.5
86.06068	0.6
86.09690	100.0
87.00775	0.7
87.05566	1.5
87.10032	1.2
88.03006	0.4
88.03954	1.2
89.03902	4.8
89.17517	0.5
91.05450	7.4
93.07016	1.0
95.04977	0.5
95.06077	0.9
95.08596	0.7
96.04482	0.8
97.02879	1.4
98.06025	0.7
100.99157	0.6
101.07143	1.1
102.05521	15.9
104.05299	0.9
105.07031	0.5
106.05015	0.7
107.04938	5.0
107.08553	1.0
109.02859	1.6
109.06503	1.2
110.07150	6.2
111.04404	0.6
112.03918	0.5
112.08710	1.5
113.07083	0.5
114.09077	0.4
115.08656	1.2
116.03415	0.6
116.07047	1.2
117.03371	3.4
117.06941	0.5
118.06503	0.6
119.00124	0.6
119.04924	8.0
119.08569	0.5
120.06564	8.8
120.08053	4.3
121.02862	1.2
121.06486	0.6
121.08454	0.5
122.06010	0.8
123.04404	1.1
123.08028	0.7
125.07085	1.9
125.10722	0.9
126.05505	1.1
127.03897	1.2
127.08620	1.3
128.98621	1.2
129.05449	1.9
129.06583	0.4
129.10226	5.2
130.04976	4.0
130.06616	0.6
130.08650	0.5
131.04848	0.9
133.06223	0.5
133.10112	0.7
135.04390	9.8
135.06789	3.8
136.07552	92.5
137.02301	1.3
137.07910	1.3
138.02585	0.6
138.09129	0.9
140.07033	0.6
141.10210	0.9
143.08121	0.5
143.11769	0.6
144.06528	0.5
145.02826	7.1
145.03891	0.8
145.04878	1.1
146.03108	0.5
146.06007	1.6
146.99622	2.2
147.04370	2.9
147.06529	0.8
147.07663	1.0
149.05887	0.7
150.05536	0.5
153.01823	0.8
153.06577	1.8
153.10245	0.6
154.02248	0.7
154.08627	4.0
155.11798	1.2
156.07721	0.6
157.09734	0.7
160.07518	0.8
161.09241	0.7
162.99237	0.8
163.03874	45.1
164.04222	3.6
165.00665	0.7
165.01845	0.6
165.05440	0.6
169.09776	0.6
169.13327	1.5
171.04330	1.0
171.07614	12.4
173.09221	0.8
173.12839	7.0
174.09203	1.3
177.03174	0.5
177.05463	1.3
179.04881	0.6
181.09743	0.7
183.11214	2.4
183.14908	1.0
184.07433	0.7
185.09164	0.9
187.10751	0.9
189.08661	7.9
190.98645	1.2
193.12100	0.7
197.12915	1.1
199.03816	1.3
199.07214	1.1
199.10530	0.6
201.12294	11.3
202.08598	20.0
203.08777	0.6
204.99170	0.5
207.07982	1.2
207.09726	13.4
208.99628	1.2
211.02733	0.8
211.07509	0.7
213.41473	0.5
215.13910	0.6
217.08116	1.3
218.41098	0.5
219.11264	0.9
220.09631	8.8
223.10750	0.9
223.13107	0.6
225.05354	1.1
225.09045	0.8
225.14842	0.9
228.13588	0.6
229.04895	1.0
230.08134	0.6
235.07443	0.9
237.00656	4.4
239.07042	0.6
244.12958	0.6
247.10732	22.1
247.13277	1.1
249.15915	1.7
253.08647	2.3
253.13165	0.5
255.01691	5.2
255.10136	0.5
256.01965	0.9
257.04330	0.8
258.04807	0.9
265.11786	49.2
266.11984	0.9
273.02795	6.1
275.10184	5.5
284.16013	9.7
286.17361	0.8
287.05432	1.1
288.05725	0.8
293.11261	42.5
294.11526	0.8
299.08929	0.8
299.14157	0.6
302.17075	4.0
303.04932	28.0
304.05264	33.9
305.05423	1.8
309.03015	0.7
320.18073	8.1
327.04196	1.0
327.08386	1.9
335.00812	1.0
353.01639	1.7
360.19052	4.3
371.02805	1.2
378.20218	0.7
380.14359	0.7
385.24506	1.1
388.18622	11.7
392.17773	0.9
397.08902	0.9
406.19638	17.8
417.04431	0.9
425.08514	0.7
435.05627	1.5
447.22131	2.3
448.20712	0.9
451.02005	0.7
451.10242	0.8
457.20786	3.3
465.23416	1.3
469.02649	0.7
475.21768	8.6
493.22861	6.3
515.04431	0.6
533.05652	1.8
558.25610	5.0
576.19116	0.6
576.26587	7.2
594.27295	1.4
611.80951	0.8
612.27924	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	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
54.24087	0.9
55.01854	2.3
55.05503	17.9
57.03429	7.2
57.07059	4.0
59.00146	0.9
59.04983	0.9
64.71664	0.9
65.03921	1.9
65.17617	0.9
67.05493	45.5
69.03406	0.9
69.07053	16.3
70.21320	2.0
70.21735	2.9
71.04969	3.1
71.08599	1.3
79.05479	38.3
81.07046	47.7
83.04964	1.6
83.08606	8.1
85.06537	2.2
85.62251	1.0
91.05447	26.6
93.07034	39.4
95.04961	4.8
95.08590	37.9
95.09200	1.0
97.06516	3.0
97.10151	3.9
98.21458	1.1
103.05418	1.2
105.07015	32.6
105.27229	0.9
107.08576	22.4
107.40044	1.0
109.06495	2.0
109.10139	13.6
111.08039	2.0
117.06995	12.0
119.08568	31.0
121.10117	17.1
123.08076	1.1
123.11705	4.4
124.61555	0.9
128.06189	2.1
129.06993	8.7
130.07805	1.3
131.08540	23.7
133.10112	24.6
135.11673	16.5
137.05962	3.4
137.09540	1.1
137.13297	2.2
139.11165	1.2
141.06964	2.1
142.07747	1.8
143.08545	11.8
145.10101	22.3
147.11668	20.0
149.13234	9.5
151.07494	1.7
155.08485	4.2
157.10123	10.8
159.11678	17.2
160.67810	0.9
161.13208	11.7
163.11145	1.0
163.14864	3.3
167.08450	1.4
169.10086	6.2
170.10825	0.9
171.11649	12.5
173.13252	14.2
173.14651	1.3
175.11160	0.9
175.14786	5.7
177.12604	1.1
181.10126	2.3
183.11595	5.0
185.11732	1.7
185.13234	10.5
187.14803	6.4
189.16394	2.4
191.10710	1.0
195.11673	2.5
197.13324	4.7
199.14798	6.2
199.62038	1.1
201.16362	2.6
203.17889	1.6
209.13229	1.8
211.14864	3.5
213.16373	4.0
215.17917	1.9
223.14873	2.2
225.16327	3.1
227.18019	1.9
229.19446	1.8
231.17436	1.5
231.21072	1.9
238.17996	1.5
239.09526	1.9
239.18124	3.6
241.19553	9.7
243.21132	2.0
253.19615	1.3
257.18961	3.6
259.20535	20.1
261.22162	7.2
277.18152	2.2
277.21494	1.5
285.22305	1.2
297.22272	1.3
299.23715	1.4
303.04990	4.8
311.23590	1.0
315.23138	2.1
323.23355	1.2
325.25174	1.3
331.22617	1.0
333.24146	15.9
335.25735	24.8
336.25809	1.3
337.27756	1.8
351.25641	1.2
353.28485	1.4
355.07150	1.3
427.32150	1.1
437.34772	1.0
475.35229	2.6
519.41913	8.6
527.37915	1.2
537.43079	3.7
541.38727	1.3
565.90820	2.0
593.45581	8.8
611.46619	100.0
612.46869	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01860	1.3
55.05501	13.8
57.03423	5.4
57.07051	3.0
65.03923	1.9
67.05495	40.4
69.03432	1.0
69.07058	14.2
69.74371	4.8
71.04973	3.1
71.08634	1.1
79.05008	1.0
79.05482	28.9
81.07043	41.2
83.04960	2.1
83.08607	8.3
85.02862	0.9
85.06516	1.5
91.05459	26.9
93.07030	36.5
95.04968	4.0
95.08594	33.1
97.06516	2.8
97.10139	3.1
98.20733	0.9
99.08054	0.9
103.05465	1.3
105.07016	32.5
107.08579	21.4
109.06488	2.0
109.10143	15.1
111.08087	1.9
113.09636	1.1
115.05398	1.2
117.06997	12.6
119.08563	25.9
121.10124	15.8
123.08060	1.5
123.11692	4.8
125.09577	1.2
128.06172	1.5
129.05476	1.2
129.06984	8.2
130.07785	0.8
131.08546	20.1
133.10097	22.1
135.08047	0.8
135.11676	12.8
137.05992	2.2
137.13251	1.1
138.63559	0.7
141.06956	1.7
142.07794	1.0
143.08521	10.6
144.09329	1.2
145.10100	18.2
147.11665	16.7
149.09616	1.5
149.13274	5.2
151.11148	0.7
151.14763	1.1
155.08562	4.3
156.09389	1.1
157.10091	10.7
159.11668	17.2
161.09685	0.8
161.13228	12.0
163.11223	0.9
163.14813	3.5
167.08562	1.4
169.10046	5.2
171.11661	12.4
172.12386	0.7
173.13263	14.0
175.11165	0.9
175.14839	5.1
177.12756	0.8
181.10098	1.6
183.11650	5.7
185.13223	8.5
187.14841	5.2
195.11633	1.7
197.13164	4.0
199.14828	6.3
201.16362	3.5
203.14392	0.9
209.13246	1.8
211.14822	3.3
213.16335	4.1
215.17966	2.3
219.83427	0.8
223.14836	1.6
225.16440	2.0
227.17944	2.1
229.19485	1.7
231.21082	2.6
237.16510	0.8
239.17953	1.9
241.19524	7.8
243.21103	1.6
251.18108	0.8
257.18933	4.5
259.20547	19.8
261.22055	4.1
269.22711	0.8
273.22098	0.8
275.20242	0.8
277.17908	1.5
281.22455	0.7
285.21945	0.9
287.11810	0.8
297.22101	1.8
303.04907	6.5
311.23376	1.0
315.23172	1.5
317.24695	0.8
325.25327	1.4
331.22638	1.4
333.20184	0.6
333.24158	13.6
335.25769	18.2
337.27350	2.4
339.26852	1.3
353.28430	1.5
355.07031	1.2
355.26199	0.9
365.28503	1.2
367.26141	0.9
409.30441	1.0
475.34473	1.0
489.36130	1.0
519.41901	5.6
529.39404	1.1
537.42914	4.5
541.38959	1.3
565.90973	0.9
593.45599	10.8
594.45978	0.7
611.46625	100.0
612.46985	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	611.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01851	4.6
55.05505	16.6
57.03419	4.8
57.07067	16.1
59.04981	5.2
61.02907	1.8
67.05495	35.0
68.46089	1.4
68.99773	1.7
69.03420	18.4
69.07056	49.2
70.06583	26.9
71.04979	13.7
71.08614	4.7
72.08136	6.7
73.02895	2.4
79.05477	14.6
81.03404	12.3
81.07043	100.0
83.04958	2.8
83.08603	25.6
84.04468	4.9
84.08123	5.6
85.02896	40.8
85.06530	58.1
86.09692	18.6
87.00823	12.8
87.04452	3.0
89.06033	1.4
91.05427	11.4
93.07030	34.0
94.07304	1.4
95.04961	3.3
95.08592	82.7
96.08140	1.9
96.08857	2.2
97.02876	12.2
97.06520	5.6
97.10165	14.3
99.04428	7.6
99.08079	11.1
105.01848	9.5
105.07022	11.1
107.08580	41.1
108.08121	3.2
108.08872	1.6
109.02853	9.4
109.06505	3.5
109.10136	50.2
110.07150	3.1
111.04397	1.8
111.08064	12.6
111.11687	11.9
113.09649	3.6
115.03925	1.9
115.07571	1.9
117.06955	1.7
119.08550	10.6
120.08102	7.9
121.10119	26.4
123.04372	2.1
123.08054	1.9
123.11685	44.1
125.09634	8.3
125.13217	3.1
127.03898	22.3
127.11156	2.3
129.01825	1.9
129.05469	3.6
129.10213	4.1
131.08577	2.7
133.10103	8.3
135.11668	20.6
136.07578	2.7
137.02379	1.7
137.09590	1.6
137.13226	22.9
139.11169	10.4
141.12724	4.1
143.10649	10.4
145.04947	6.9
145.10077	4.0
147.11678	8.5
149.13240	26.9
151.14810	8.0
153.01768	2.0
153.12727	6.6
155.14267	4.4
159.02911	3.7
159.11687	4.5
161.13246	6.0
163.07468	1.8
163.14807	19.0
165.01813	1.7
165.09007	1.8
165.12753	3.5
165.16364	3.2
167.14291	6.1
171.13780	2.2
173.12947	1.6
175.14847	4.2
177.16344	9.5
179.17886	3.3
183.13551	1.9
189.16356	4.8
191.17897	8.2
193.19409	2.9
203.17961	4.3
205.19499	4.1
207.21031	2.1
213.04062	1.7
217.19533	4.4
220.16937	6.4
221.19077	2.0
222.18584	2.0
223.20586	3.0
229.04924	2.9
231.04961	6.4
233.22667	2.9
235.20523	2.9
238.17924	11.5
239.18742	6.1
239.68903	2.2
240.19527	7.7
249.05951	1.9
261.25729	2.8
273.18921	1.8
273.25687	14.2
279.26743	13.1
290.31464	1.5
291.26749	50.4
292.27194	2.0
297.27817	48.0
303.04944	67.3
304.05212	4.8
309.27829	61.0
309.30630	1.0
309.31598	1.7
310.28275	3.4
327.28885	28.0
328.29294	1.6
345.29816	3.4
381.28159	2.0
399.28821	2.1
417.29956	1.9
475.34955	2.3
488.18253	2.1
503.29779	3.0
509.30704	1.7
521.31073	3.6
539.31714	3.1
611.23346	1.7
611.39850	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	611.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56030	1.3
53.03930	2.8
55.01855	5.1
55.05493	14.3
56.05016	2.4
57.03415	5.1
57.07061	10.5
59.04982	2.9
60.04511	1.7
61.02897	1.6
67.05497	17.4
67.25150	1.2
68.05002	1.8
69.03414	9.9
69.07059	43.1
70.06581	46.5
71.04982	15.5
71.08620	6.3
71.72526	2.2
72.08134	7.0
73.02865	2.1
73.04797	1.1
79.05474	10.9
81.03429	6.9
81.07046	90.2
82.06541	1.3
82.07346	1.2
83.04964	3.9
83.08611	13.3
83.44041	1.3
84.04490	4.1
84.08144	6.8
85.02894	34.2
85.03983	1.4
85.06528	14.5
86.09693	33.8
87.00813	5.7
87.04416	2.0
87.05575	1.4
87.10042	2.2
89.06009	2.0
91.05408	8.2
92.59723	1.3
93.07027	21.5
94.06563	1.9
95.04948	2.9
95.08591	56.6
96.08125	1.7
96.09853	1.3
96.74615	1.3
97.02878	8.2
97.06521	9.7
97.10142	6.1
99.04450	3.6
99.08077	16.1
101.05981	1.7
102.05508	1.9
103.05433	2.5
105.01847	6.0
105.07018	10.3
107.04950	1.7
107.08578	25.8
108.08092	2.6
109.02856	6.1
109.06500	3.2
109.10133	41.1
110.07154	4.7
111.08070	11.0
111.11713	10.5
113.07027	1.2
113.09640	2.1
115.07549	2.6
117.06970	1.9
119.08553	6.6
120.08091	12.6
121.10123	16.3
123.08044	2.2
123.11685	30.2
125.09612	2.9
125.13246	3.0
127.03916	11.3
127.11164	4.5
129.05464	4.1
129.10211	3.7
132.08052	1.9
133.10146	7.1
135.08037	1.8
135.11665	14.1
136.07570	2.0
137.05934	3.0
137.09576	1.7
137.12291	2.2
137.13249	22.7
139.11150	4.5
141.10193	4.9
141.12679	3.6
143.08498	1.9
143.11810	2.0
145.04939	3.1
145.10016	1.7
146.11746	3.7
147.07898	1.9
147.11664	7.1
149.13222	22.5
151.14798	4.5
153.01816	3.9
153.12700	11.4
155.14288	11.9
159.02817	1.9
159.11639	2.1
161.13252	3.3
163.03935	2.8
163.14815	8.0
165.12750	4.0
165.16345	2.2
167.07047	1.8
167.14307	2.0
169.09697	4.5
171.11539	1.8
171.13820	2.2
175.14772	1.9
177.16344	5.1
179.14226	2.3
179.17833	2.3
180.10248	1.9
183.11552	1.4
183.14957	2.7
189.16428	1.4
191.17911	2.8
197.13071	1.6
203.17888	2.4
205.19492	7.9
211.14511	2.2
213.18510	2.1
217.19559	3.6
220.16911	7.4
222.18513	4.0
223.20541	17.5
225.10172	1.5
229.04869	4.1
231.04959	3.2
237.13547	1.7
238.17967	18.3
238.68246	2.6
239.18739	6.7
239.68889	1.8
240.19490	9.2
241.21680	7.0
256.19131	2.1
257.04297	2.3
261.25787	2.0
269.12726	3.4
273.25739	8.9
279.26816	6.2
285.03833	1.5
286.10629	1.5
287.13855	5.4
291.26785	31.9
297.27805	4.3
303.04953	100.0
304.05191	8.8
309.27835	35.6
309.31235	2.7
327.28973	12.0
345.30014	10.6
353.25278	2.7
419.00037	1.6
458.37057	1.4
461.74310	1.6
475.35214	4.6
567.34418	3.9
611.21173	2.4
611.38593	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	611.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06412	1.8
53.03931	7.1
55.01859	6.7
55.05503	17.5
55.70578	1.7
56.05032	2.0
57.03421	5.9
57.07065	8.0
61.02919	4.1
61.85043	1.7
65.03927	2.2
67.05494	31.0
68.05022	1.6
68.29176	1.8
69.03429	16.4
69.06707	2.9
69.07061	40.5
70.06232	2.8
70.06586	33.7
70.36661	9.5
71.04987	15.8
71.08624	3.0
72.08138	7.2
73.02908	4.7
74.06054	3.0
76.69761	1.6
77.60443	1.8
79.05484	19.1
81.03412	15.0
81.07046	100.0
83.04969	3.5
83.08619	15.8
84.04494	5.3
84.08125	7.7
85.02892	55.6
85.06532	42.0
86.09683	21.2
87.00814	17.9
87.05574	1.7
91.05445	12.4
93.07024	35.9
95.04956	5.3
95.08591	82.6
96.08100	2.7
96.08955	2.4
97.02869	15.9
97.06516	3.7
97.10133	10.6
98.21339	2.0
99.04443	8.0
99.08073	20.7
105.01851	13.5
105.07004	15.9
107.04923	2.0
107.08575	40.0
108.08103	2.8
109.02863	13.0
109.06474	3.6
109.10140	48.7
110.07124	2.2
111.04403	2.1
111.08072	9.6
111.11697	9.0
113.09629	3.0
115.03886	2.2
119.08573	11.4
120.08102	13.7
121.06500	1.7
121.10126	30.9
123.08096	2.2
123.11694	36.5
125.09631	7.3
125.13231	1.8
127.03901	27.7
127.08652	2.4
127.11156	3.4
129.05466	2.2
129.10225	5.7
131.08548	2.6
133.06444	2.0
133.10117	9.8
134.27229	2.0
135.08043	2.9
135.11681	22.0
135.29115	1.7
136.07578	3.4
137.13228	21.9
139.11163	5.6
141.12712	2.5
143.10672	2.2
145.04930	9.5
145.10072	4.8
147.08003	2.6
147.11656	6.7
149.13240	38.3
149.14355	3.4
151.14801	7.3
153.01743	2.3
153.12769	5.1
157.10135	2.7
159.02890	5.0
159.09221	2.1
161.05962	2.1
161.13196	5.1
163.14812	21.1
165.01840	1.8
165.12648	2.0
165.16348	3.4
167.07048	2.3
167.14264	3.0
171.11714	1.8
177.16379	11.4
179.17964	2.3
185.09386	1.7
189.16374	2.0
191.17921	7.0
195.17450	6.0
197.64703	2.0
203.17967	3.5
209.19057	3.3
213.18433	20.1
217.19540	5.6
220.16962	7.6
222.18520	2.3
224.11827	1.9
231.04968	6.8
235.20575	2.4
238.17992	20.0
238.68153	2.9
239.18687	6.3
240.19508	8.7
247.53447	1.7
261.25760	2.0
273.25705	10.9
279.26871	8.8
289.25287	2.7
291.26785	39.3
297.27887	17.3
303.01498	3.7
303.04965	76.9
304.05322	5.5
309.27838	60.0
327.28915	30.2
333.15402	3.1
345.29907	6.3
399.28979	2.5
475.35547	2.6
503.29712	4.2
539.31836	2.5
607.97491	1.8
611.40753	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	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
52.57432	0.1
53.03946	0.2
55.01863	0.3
55.05503	0.4
56.05030	0.4
56.44174	0.1
57.03426	1.8
57.13601	0.1
59.04997	0.1
60.04506	0.4
61.01146	0.1
61.02916	0.5
67.05506	0.1
68.05024	0.1
68.99788	0.3
69.03419	1.2
69.07055	0.3
69.47690	0.4
69.48112	0.3
70.02943	0.1
70.06580	8.5
71.01334	0.2
71.04980	10.7
71.06915	0.3
72.08146	1.8
73.02896	0.5
74.06069	0.6
75.04453	0.4
79.05469	0.1
81.03413	0.6
81.07054	0.1
81.54457	0.1
82.06563	0.2
83.04961	0.6
83.06106	0.2
84.04487	1.2
84.08130	2.3
85.02891	15.0
86.03228	0.1
86.06055	0.2
86.09692	3.1
87.04451	0.5
87.05577	0.3
87.10006	0.2
88.03975	0.2
89.02383	0.1
91.03954	0.3
91.05445	0.5
93.03374	0.1
93.07073	0.2
95.04961	0.3
95.08605	0.1
96.08121	0.2
97.02873	1.4
98.03222	0.1
98.06074	0.3
99.04436	0.3
101.05994	0.2
101.07119	0.4
101.10751	0.1
102.05511	0.4
103.05441	0.2
104.05300	0.3
105.06998	0.2
107.04933	0.2
107.08562	0.2
108.08095	0.2
109.02838	0.7
109.06542	0.1
110.07151	1.3
110.09689	0.1
111.00826	0.6
111.04403	0.5
112.07582	0.1
112.08691	0.2
113.07128	0.4
115.08677	0.3
116.07059	0.2
119.04901	0.2
119.08551	0.1
120.08082	2.2
120.08942	0.1
120.60691	0.1
121.02850	0.7
121.08427	0.3
121.10122	0.1
122.09650	0.1
123.04420	0.3
125.09605	0.1
126.05526	0.2
127.03896	1.0
127.08636	0.2
129.04497	0.2
129.05463	3.7
129.10222	1.3
130.04968	0.2
130.06499	0.1
130.08627	0.1
131.04900	0.2
131.08539	0.1
133.06404	0.1
133.10086	0.2
135.04405	0.3
136.07541	1.0
137.02321	2.3
137.03342	0.1
137.05974	0.3
137.07890	0.1
139.08650	0.1
141.10234	0.3
143.08072	0.1
143.11737	0.1
145.02824	0.2
145.04951	0.8
145.06108	0.2
147.04369	0.3
147.06509	1.0
147.07605	0.1
148.06084	0.2
149.02316	0.2
152.07114	0.1
153.01797	2.5
155.04881	0.1
155.08148	0.2
156.07649	0.1
159.09209	0.1
161.05943	0.3
163.03877	1.3
163.07451	0.2
164.04202	0.5
165.01804	1.5
166.02603	0.2
169.09756	0.2
169.12109	0.1
169.13371	0.3
171.07658	0.1
172.57405	0.1
173.05951	0.3
173.09305	0.2
177.05533	0.1
181.09689	0.1
183.02863	0.6
183.04311	0.2
183.11256	0.1
183.14920	0.5
187.03871	0.2
187.07164	0.1
187.10963	0.1
191.03365	0.1
191.14371	0.1
195.02901	0.1
195.11392	0.1
197.12817	0.3
199.10713	0.2
200.13997	0.1
201.05446	1.1
201.08644	0.1
201.12357	0.2
205.04979	0.2
207.02905	0.1
209.15286	0.1
211.14424	0.3
216.09785	0.1
219.02905	0.1
219.06546	0.2
219.10275	0.1
220.16914	0.4
221.17310	0.2
223.13156	0.2
226.11823	0.1
227.10217	0.2
228.04135	0.1
229.04932	3.5
238.17990	0.5
239.03456	0.1
239.18320	0.4
240.19312	0.1
247.05966	0.6
251.07301	0.1
251.14943	0.1
256.19150	0.2
257.04364	2.1
257.19373	0.1
274.04712	0.6
275.05420	0.2
280.06833	0.2
285.03879	0.9
286.17706	0.2
287.13889	0.1
297.07208	0.1
298.07941	0.2
301.19183	0.1
302.13416	0.6
303.04926	100.0
304.05295	2.0
315.04834	0.3
319.04407	0.4
327.05011	0.1
344.05048	0.1
345.05823	0.6
399.21936	0.1
420.18713	0.1
429.08136	0.1
447.08801	0.2
449.10263	0.1
465.10214	1.2
476.35437	0.6
477.35831	0.4
504.61227	0.1
610.33398	0.1
611.23950	0.4
611.34729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01846	0.2
55.05492	0.2
56.96164	0.1
57.03424	1.7
57.59797	0.1
57.60133	0.1
58.13274	0.1
61.02914	1.3
68.99785	0.3
69.03421	1.0
70.06583	1.2
71.01332	0.2
71.04978	10.0
71.58708	0.2
72.08131	0.3
73.02911	0.6
75.04454	0.5
79.05480	0.1
81.03397	0.4
83.04955	0.6
83.59583	0.1
84.04504	0.2
84.08124	0.2
85.02889	13.7
86.09686	0.7
87.04440	0.3
91.03926	0.6
91.05502	0.1
93.03394	0.2
93.07025	0.2
95.04926	0.2
97.02879	1.5
99.04443	0.4
109.02859	0.5
110.07150	0.3
111.00761	0.7
111.04420	0.4
120.08080	0.5
121.02842	0.6
123.04382	0.2
126.64891	0.1
127.03906	0.9
129.05460	3.3
129.10222	0.2
131.04890	0.2
135.04454	0.1
136.07492	0.2
137.02313	2.1
137.03322	0.2
137.05899	0.1
139.03824	0.1
145.04892	0.8
147.01898	0.1
147.06496	1.2
149.02338	0.2
153.01797	2.7
161.05952	0.3
163.03896	0.5
165.01805	1.8
165.09509	0.1
166.02602	0.2
171.02747	0.1
173.05956	0.2
183.02985	0.6
183.04384	0.2
187.03900	0.2
195.02798	0.3
201.05440	1.0
215.03447	0.1
221.42336	0.1
229.04922	3.0
229.07053	0.2
238.17979	1.1
247.06065	0.5
257.04422	2.2
274.04788	0.5
275.05423	0.2
285.03922	1.1
287.05542	0.6
303.04922	100.0
304.05261	2.7
315.04898	0.3
326.83118	0.1
345.06039	0.2
369.06097	0.2
447.09323	0.2
449.10495	0.4
465.10190	0.8
475.34921	0.2
540.71771	0.1
611.32190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
53.43479	0.1
53.62551	0.1
55.01857	0.3
55.05497	0.3
57.03426	1.6
59.04989	0.1
61.02925	0.6
68.36108	0.1
68.99796	0.3
69.03417	0.9
70.31377	0.5
70.31778	0.2
71.01335	0.2
71.04983	10.8
73.02888	0.4
75.04465	0.6
81.03400	0.5
83.04962	0.6
85.02892	14.4
87.04461	0.4
91.03934	0.3
93.03406	0.2
95.04939	0.2
95.67915	0.1
97.02878	1.2
99.04436	0.3
103.83572	0.1
109.02879	0.6
111.00793	0.6
111.04424	0.4
121.02842	0.7
123.04414	0.1
127.03902	0.9
129.05458	3.3
132.70863	0.1
135.04420	0.1
137.02332	2.1
137.03331	0.1
145.04941	0.8
147.06468	1.1
149.02338	0.3
153.01797	2.2
155.04893	0.1
161.05994	0.2
163.03885	0.4
165.01819	1.5
166.02620	0.2
173.05965	0.2
183.02896	0.5
183.04373	0.2
195.02814	0.1
201.05475	1.2
205.04987	0.2
211.03998	0.2
219.06541	0.2
229.04942	3.1
239.03445	0.1
244.43611	0.1
247.06015	0.4
257.04413	2.0
274.04688	0.4
285.03885	1.1
303.04941	100.0
304.05298	2.1
315.05032	0.3
327.05096	0.2
345.06030	0.4
369.06177	0.2
449.10794	0.3
465.10251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1595
Annotation	Rutine
Peak:m/z	Relative Intensity
52.73579	0.2
53.03919	0.2
53.28076	0.2
57.03422	1.4
58.44016	0.2
60.67133	0.2
61.02926	0.4
68.99786	0.4
69.03410	1.3
70.62577	0.3
70.62920	1.0
71.04982	9.7
73.02893	0.4
75.04486	0.6
81.03382	0.5
83.04958	0.4
85.02892	14.0
87.04463	0.4
97.02879	1.5
109.02834	0.5
109.55294	0.2
111.00767	0.7
112.23600	0.2
121.02844	0.6
124.55330	0.2
127.03868	0.9
129.05461	3.2
137.02304	2.1
139.14722	0.2
145.04944	1.0
147.06476	1.0
149.02339	0.5
153.01793	2.3
161.06059	0.3
163.03920	0.4
165.01814	1.4
165.64966	0.2
183.02876	1.0
187.03938	0.2
191.06908	0.2
201.05463	1.3
229.04912	3.1
247.06041	0.6
257.04391	2.5
274.04709	0.6
285.04007	1.1
303.04938	100.0
304.05316	0.9
465.09903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09977	0.2
55.01852	0.3
55.05502	1.7
56.05013	0.4
58.06565	0.8
65.24598	0.2
67.05189	0.2
67.05492	2.7
68.05002	0.5
69.07064	2.3
69.68299	1.3
69.89288	0.2
70.06582	3.9
71.04965	0.3
72.08109	0.3
76.26878	0.1
79.05078	0.2
79.05489	2.5
80.04976	0.7
81.07043	3.3
82.06586	0.8
83.08585	0.7
84.04485	0.3
84.08132	0.9
84.83056	0.2
85.02881	0.3
85.06516	0.3
88.83495	0.2
91.05423	2.2
93.07032	2.1
94.06558	2.0
95.04956	0.3
95.07327	0.4
95.08595	2.2
96.08117	3.7
97.06451	0.2
97.10136	0.7
98.09660	0.8
105.07014	1.2
107.07352	1.2
107.08567	1.7
108.07438	0.2
108.08106	3.9
109.08859	0.5
109.10123	0.8
110.09680	1.1
117.07003	0.3
119.08571	0.9
120.08092	1.0
121.10083	0.6
122.09654	2.6
123.08027	0.2
123.10408	0.4
123.11648	0.3
124.11179	0.7
131.08501	0.3
133.10086	0.4
134.09612	0.3
135.08003	0.2
135.11653	0.2
136.07573	0.3
138.09067	0.2
143.08557	0.4
145.10088	0.6
148.11179	0.2
150.12689	0.2
157.44699	0.2
159.11610	0.2
163.11241	0.2
170.11693	0.2
176.14331	0.5
190.15936	0.2
192.13847	0.2
192.17455	1.2
202.15903	0.9
218.15427	1.1
220.16933	22.5
221.17281	0.6
222.18503	8.4
223.18719	0.2
236.16399	0.6
238.17984	49.2
239.09236	0.2
239.18394	1.1
240.19553	35.1
241.19901	0.8
256.19073	1.9
258.20584	0.4
299.05988	0.2
303.05011	2.1
355.07104	0.2
373.25015	0.3
459.35632	0.4
475.35287	0.4
477.36823	100.0
478.37140	3.4
503.34811	1.3
610.42059	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	609.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92115	1.1
53.03922	2.8
55.01874	2.7
55.05502	13.5
57.03415	3.1
57.07059	5.1
59.04982	1.8
60.24050	1.0
61.02912	2.2
67.05488	11.6
68.99772	1.6
69.03412	10.7
69.07053	100.0
70.06580	9.8
71.04968	4.2
71.08598	1.2
71.52788	2.4
72.08134	1.7
73.02898	2.0
74.06049	1.0
79.05468	6.7
80.91135	1.1
81.03409	8.9
81.07043	39.1
83.04952	3.6
83.08595	7.2
84.04485	1.6
84.08129	2.4
85.02883	20.7
85.06528	12.3
86.09680	5.9
87.00814	6.4
91.05447	4.1
93.07024	16.9
95.04946	5.0
95.08591	36.9
96.08064	1.4
97.02869	7.6
97.06528	10.1
97.10125	5.3
99.04420	4.0
99.08072	5.3
101.06001	10.6
104.05297	1.1
105.01830	4.2
105.07011	6.3
107.08577	13.4
108.08149	1.2
109.02862	6.0
109.06476	2.1
109.10122	16.6
110.07179	1.7
111.08054	5.0
111.11695	24.8
117.01803	1.6
119.08534	6.8
120.08074	4.9
121.10126	12.7
123.11676	14.6
125.09618	1.8
127.03886	10.7
127.11061	1.4
129.01775	1.1
129.10204	1.3
129.12762	1.9
130.07797	1.1
131.08537	1.6
133.10117	5.5
135.11655	11.8
136.07562	1.4
137.06038	1.1
137.09608	1.4
137.13228	2.9
139.11153	20.5
145.04964	4.1
145.10088	3.2
147.11652	4.8
149.13257	4.7
151.11142	4.0
151.14763	8.9
153.12779	1.7
157.12215	11.9
159.02887	2.8
159.11678	2.0
161.13245	3.6
163.14806	1.9
165.12793	1.3
167.14262	1.8
169.15846	3.2
173.13235	1.5
175.14774	2.1
177.16353	2.2
179.14264	2.3
201.16388	1.3
203.17874	1.8
205.19400	1.4
220.16940	1.7
220.27217	1.1
222.18451	2.7
225.22153	1.9
231.04890	2.5
237.18498	1.5
238.17989	5.9
238.67990	2.7
239.18710	4.9
240.19478	4.7
245.22713	1.3
256.19144	1.9
271.24115	1.1
277.25293	2.1
287.05542	3.4
289.25235	7.9
295.26303	11.6
307.26245	42.1
308.26370	1.5
325.27304	81.8
326.27701	2.9
343.28287	1.6
349.27307	1.9
367.28448	2.2
415.28354	2.9
609.38287	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	610.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74395	0.3
51.30665	0.3
53.14890	0.3
55.01868	0.6
55.05505	0.9
56.05022	0.7
57.03436	0.6
58.06588	0.5
61.79250	0.3
67.05495	1.4
69.03409	1.0
69.07053	1.0
70.06581	96.7
71.00450	1.1
71.04987	2.1
71.06915	1.2
72.08138	1.2
73.02901	0.3
79.05483	1.2
81.03401	0.6
81.07051	2.8
82.07396	0.4
83.04958	0.8
83.08601	0.5
84.04495	3.5
84.08121	1.4
85.02892	3.8
86.09686	2.9
91.05481	1.4
93.07035	2.0
94.06561	0.4
95.04945	0.6
95.08587	1.8
96.08150	0.5
97.02872	0.5
97.06547	0.3
98.06030	0.4
101.53700	0.4
102.05533	7.6
103.05433	3.4
105.06984	1.0
107.08566	1.0
108.08119	0.5
108.08881	0.4
109.10146	1.1
110.07143	0.6
111.04416	0.4
119.08556	0.6
120.08084	100.0
121.01425	0.4
121.02846	0.4
121.08411	1.2
121.10120	0.7
123.11698	0.7
127.03907	1.1
129.05463	1.0
129.10194	0.6
131.04892	0.4
136.07576	1.0
145.10089	0.5
147.04355	0.3
149.13257	0.4
153.01810	0.4
155.25529	0.3
160.09447	0.3
163.11134	0.5
173.09512	0.4
182.10088	0.3
183.14906	0.3
186.09106	5.1
187.10753	93.8
188.11090	0.7
204.10135	1.0
211.14357	0.4
217.13377	2.6
220.16878	0.7
221.17171	0.4
222.18503	4.3
223.18813	1.5
233.12723	0.4
238.17967	3.1
238.68108	0.7
239.18573	2.6
239.68932	1.3
240.19530	3.4
240.69601	0.4
241.19917	1.0
245.12926	2.8
249.12325	14.4
249.14890	0.8
256.19028	5.2
257.19449	2.2
259.10825	0.4
277.11810	22.0
278.12192	0.5
287.05463	12.7
288.05737	5.0
289.06036	0.6
291.19647	0.6
298.67078	0.3
303.04926	10.6
303.21072	1.3
303.71249	1.3
309.20407	0.5
312.21603	3.9
312.69125	0.3
312.71872	3.9
313.21924	1.1
316.16678	0.5
334.17545	23.8
335.17929	0.6
350.23380	0.4
368.24240	1.0
369.24478	0.6
379.16235	0.4
402.16348	1.3
406.17487	0.6
424.13544	0.6
424.18607	7.0
495.37714	0.5
496.38272	0.4
521.23352	1.0
528.38464	0.5
580.49078	0.4
610.28967	1.6
623.41779	0.6
624.42529	1.0
637.72601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.9
55.05505	20.6
57.07061	6.4
61.02935	3.9
67.05491	31.4
69.03431	18.1
69.07062	41.5
69.07408	5.3
69.43592	19.7
69.44028	15.2
70.06579	43.1
71.04987	7.1
72.08153	9.5
73.50245	3.8
79.05485	13.7
81.03396	7.1
81.07046	80.8
83.04955	4.3
83.08591	16.9
83.52909	3.2
84.08135	12.8
85.02892	20.7
85.06527	12.7
85.96500	3.8
86.09684	16.9
87.00822	5.2
89.06026	4.1
91.05440	8.0
93.07036	23.7
95.04980	9.6
95.08591	100.0
97.02882	14.0
97.06548	8.1
97.10158	14.3
98.20708	6.3
99.04491	5.8
99.08090	5.0
100.30141	3.8
105.01862	12.1
105.06996	19.1
107.04912	4.0
107.08585	20.9
108.08117	4.4
109.02863	6.1
109.06528	5.2
109.10157	46.9
110.07165	7.2
111.08111	5.7
111.11710	10.7
119.08582	12.9
120.08096	8.7
121.10132	21.4
123.08101	5.9
123.11671	32.2
125.09657	5.2
127.03906	16.8
131.08539	4.3
133.10127	7.7
135.11705	13.1
137.13243	9.6
139.11159	7.8
145.05016	4.1
145.10115	6.9
147.11700	7.1
149.13269	10.1
151.11200	4.7
151.14804	21.5
153.12746	3.8
157.10063	3.7
157.12245	8.9
161.13229	9.5
163.11157	4.2
163.14807	4.6
165.12778	3.7
165.16356	5.3
173.13217	4.0
175.14897	4.7
177.16319	3.9
179.14270	7.6
193.15942	4.1
197.15350	3.4
199.61232	3.2
215.17957	4.1
220.16896	7.1
222.18594	8.7
223.16853	3.7
225.18405	4.3
238.17960	36.8
238.68155	5.5
239.18723	12.9
240.19629	11.6
247.24178	5.3
251.20108	6.9
256.19186	11.8
258.00446	3.3
259.00497	4.1
271.24231	5.5
287.05624	17.0
289.25186	20.2
307.26233	57.8
312.21576	3.8
325.27332	24.3
355.06863	4.9
361.07285	4.1
415.28473	6.0
504.28745	3.5
517.82562	3.8
609.38965	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	609.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01859	2.0
55.05505	14.7
57.03417	4.3
57.07059	6.7
57.34596	1.6
59.04977	3.1
61.02914	1.8
67.05488	16.6
67.95035	1.3
69.03419	11.7
69.07059	100.0
70.06583	22.5
70.13219	8.0
71.04977	4.7
71.06908	1.9
71.08620	2.5
72.08132	6.3
73.02875	1.9
73.79852	1.3
74.00697	1.3
79.05487	8.8
81.03389	7.8
81.07046	58.2
81.07531	3.4
83.04929	2.6
83.08630	9.6
84.04477	4.9
84.08116	4.2
85.02898	19.1
85.06516	10.1
86.09692	12.9
87.00831	7.6
90.03874	1.4
91.05432	7.4
93.07035	19.3
95.04951	6.1
95.08591	43.6
96.08067	1.7
96.08915	2.1
97.02882	8.2
97.06525	7.0
97.10149	6.4
97.41270	1.5
97.57256	1.6
99.04447	3.3
99.08080	6.3
103.05457	1.9
105.01844	8.5
105.07008	11.9
106.83684	1.4
107.08572	18.3
109.02869	5.6
109.06509	3.9
109.10137	32.1
109.22203	1.3
110.07130	1.9
111.08036	4.3
111.11701	25.4
111.73344	1.4
117.07031	1.5
119.08549	9.2
120.08096	27.5
121.08437	7.0
121.10143	17.5
123.04305	1.4
123.08043	3.0
123.11688	29.2
125.09608	3.3
127.03876	10.7
127.11163	6.2
129.10228	4.0
129.12717	2.2
130.06468	1.7
131.08533	2.2
133.10115	7.4
135.11671	10.3
136.07581	3.4
137.09579	2.0
137.13249	5.2
139.11154	22.3
143.08603	1.5
145.04893	3.7
145.10068	4.1
147.04427	2.0
147.11668	6.1
149.09561	2.4
149.13257	9.4
150.13596	1.6
151.11111	3.0
151.14783	6.6
153.12759	3.2
155.10684	2.8
157.10086	2.0
157.12227	4.8
159.02829	2.1
159.11659	5.4
159.47435	1.5
161.09616	1.5
161.13248	6.3
163.11142	3.3
163.14799	3.8
165.12727	4.0
167.14322	2.9
173.13081	3.4
175.14796	2.2
177.16371	2.8
179.14256	5.3
187.14725	1.6
189.16304	2.0
191.17896	3.1
201.16322	2.8
203.10027	1.6
203.17955	1.7
215.17828	2.1
219.17303	1.5
220.16940	5.0
221.12859	2.1
222.18436	3.6
223.10675	1.8
237.18396	3.7
238.17995	12.5
239.18637	7.3
240.19563	10.7
244.17990	1.4
251.20071	1.7
256.18982	1.9
271.24072	3.3
277.25223	4.4
287.05405	4.8
289.25247	13.8
295.26276	40.6
307.26266	87.2
325.27319	27.7
343.28369	4.8
415.28241	3.4
433.29355	1.6
477.36957	1.6
519.29565	2.2
537.29877	3.5
541.81335	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	608.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59409	0.2
61.78304	0.2
67.05512	0.2
69.97527	1.1
70.06567	0.2
81.07063	0.2
86.09670	0.4
97.02882	3.8
104.10729	1.9
112.23418	0.2
119.03538	0.2
124.38424	0.2
132.74910	0.2
136.06169	100.0
137.04568	0.8
137.06631	1.2
143.25975	0.2
147.89514	0.2
178.07269	0.3
237.84528	0.2
238.17976	0.2
291.98227	0.2
348.06998	30.5
349.07251	1.0
396.27835	0.2
564.14288	0.2
590.21466	0.2
608.27203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2701
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.29579	0.3
57.07067	3.2
58.53844	0.3
59.05000	2.0
67.05498	0.6
69.61411	0.3
71.08633	3.3
79.05453	0.4
81.07057	0.8
85.10179	3.2
87.04455	0.9
89.06028	3.7
90.94581	0.3
91.05789	0.4
93.07046	0.4
95.08607	0.5
99.11761	0.5
101.09617	0.4
105.07105	0.4
107.08580	0.5
117.09132	0.5
130.89230	0.3
131.07063	0.5
133.08585	2.5
164.12933	0.4
177.11183	1.1
209.10666	0.5
221.10860	0.5
221.13814	0.3
223.12238	0.4
225.13936	0.5
239.15419	0.4
257.24652	0.5
263.43860	0.4
355.07034	0.5
377.18228	0.3
388.90317	0.3
391.18961	0.7
403.19727	0.3
405.20740	1.0
414.18497	0.5
415.19281	1.1
416.19940	0.5
418.17511	0.6
419.18018	0.6
419.22537	1.0
421.19449	0.4
429.20874	2.6
430.21854	0.7
431.18222	0.5
431.23123	0.6
432.19473	0.9
433.19528	0.9
433.24045	1.5
434.20718	0.4
435.21872	0.4
443.22366	1.1
444.23538	1.8
445.24603	0.6
447.17191	0.7
447.23010	1.6
448.22485	0.6
449.23453	1.3
451.59729	0.3
457.24399	0.4
458.24985	0.5
459.21561	4.1
460.22589	2.6
461.19269	2.0
461.23660	2.4
462.20395	1.3
463.20541	0.6
471.22095	0.5
472.22699	2.1
473.23245	1.2
474.24765	0.3
475.21170	1.0
476.22073	2.5
477.22778	2.4
485.23215	1.0
487.25104	2.8
489.22888	1.7
492.25381	0.8
503.24988	2.0
505.18848	0.4
505.25665	0.4
519.23914	2.2
521.21289	3.1
531.23901	22.0
532.24268	2.0
549.24915	14.1
550.25256	1.0
563.26404	0.6
580.23181	0.5
581.27661	0.5
591.25812	3.6
609.26996	100.0
610.27277	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	607.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96617	1.6
53.03930	4.2
55.01852	5.3
55.05495	15.2
56.05016	2.2
57.03421	6.4
57.07062	6.1
59.04982	4.3
60.04506	2.1
61.02905	3.8
67.05496	40.9
68.99787	1.6
69.03422	17.5
69.07059	26.2
70.06583	46.6
71.04977	10.0
71.65311	1.5
71.65736	2.2
72.08156	12.9
73.02898	4.6
74.06046	2.7
74.90320	1.5
79.05488	12.0
81.03409	13.1
81.07045	67.5
83.04960	9.6
83.08606	8.2
83.98041	1.5
84.04477	6.2
84.08138	10.6
85.02430	2.7
85.02898	31.1
85.06532	54.9
86.09167	1.5
86.09695	30.0
87.00809	11.6
87.04433	2.8
87.10019	2.1
89.06009	2.2
91.03921	2.6
91.05480	7.3
93.05824	1.7
93.07028	28.7
95.04963	11.7
95.08595	47.4
97.02859	9.6
97.06522	12.6
97.10155	6.2
99.04469	10.3
99.08085	10.4
101.06017	9.7
101.07114	2.1
102.05559	1.8
104.07092	1.5
105.01823	7.7
105.07018	14.6
107.04881	2.9
107.08578	30.3
108.08101	2.3
109.02867	12.2
109.06515	7.4
109.10140	100.0
110.07147	3.6
110.09657	1.4
111.08057	15.4
111.11710	5.4
117.01803	2.1
119.08569	14.5
120.08078	18.1
121.06502	1.7
121.10121	18.2
123.08046	4.4
123.11709	18.3
125.05928	2.0
125.09628	14.2
127.03890	18.9
127.08624	1.6
127.11179	5.5
129.10211	5.4
131.08548	7.0
132.08057	2.1
133.10126	11.6
134.10419	2.1
135.11674	20.9
136.07603	3.1
137.05969	3.7
137.09598	11.2
137.13235	2.5
139.11172	8.5
143.08522	2.8
144.09415	1.6
145.04977	4.4
145.10115	6.2
146.11650	2.4
147.02972	1.6
147.04355	3.6
147.11658	9.4
149.09572	1.5
149.13232	15.8
151.11206	11.7
151.14813	5.2
153.12733	6.4
155.10648	23.6
157.09962	3.0
157.12231	2.9
159.02841	6.3
159.09166	2.1
159.11664	7.1
161.13216	5.6
163.03883	1.6
163.11143	3.8
163.14789	5.4
165.12738	4.5
167.08464	1.6
167.14273	6.2
171.11612	2.3
173.11696	2.1
173.13130	3.7
175.14769	2.7
177.12715	2.5
177.16289	3.5
181.12132	1.8
183.14957	2.0
185.12953	1.8
187.14671	2.3
189.16367	6.3
191.17969	1.6
195.13835	2.4
195.17372	1.5
197.12854	2.2
201.16412	3.1
203.17947	4.0
205.15916	1.5
207.17433	5.1
213.16341	3.3
215.17879	1.9
217.19461	1.6
219.17426	3.1
220.16946	7.0
221.18898	7.9
222.18475	1.7
223.17036	2.1
225.18445	2.0
227.17987	1.7
231.17377	3.0
237.18442	5.7
238.18002	12.4
239.18472	4.0
240.19473	5.2
255.19489	5.2
265.21558	3.1
269.22626	4.1
275.23666	1.7
287.23627	11.5
293.24796	9.3
305.24695	51.0
305.28214	3.4
311.25732	1.8
315.13354	3.1
323.25772	78.9
341.23193	2.0
341.26855	6.5
359.27979	2.1
403.19339	1.7
455.22266	1.8
477.36847	2.8
607.24890	2.8
607.37531	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	607.2903
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.47542	0.3
51.94419	0.3
52.31874	0.3
70.85351	1.1
79.47473	0.3
88.10384	0.3
143.84593	0.3
153.35939	0.3
188.25496	0.3
209.10603	0.4
223.12425	0.3
375.15790	0.4
387.16455	0.5
388.16690	0.5
389.17844	0.3
402.18600	0.8
403.13843	0.4
403.19049	3.1
404.20065	1.2
405.20959	1.5
415.19424	0.4
416.20074	1.0
417.21420	2.6
418.21835	1.7
419.22272	3.1
430.17535	0.5
431.18097	7.2
431.23590	0.5
432.19321	1.1
432.23956	0.4
433.24036	6.8
434.24728	0.7
444.18802	0.5
444.23785	0.4
445.19696	7.9
446.20636	3.5
447.21698	3.2
449.23770	0.4
458.60654	0.4
459.21426	3.8
460.22504	7.6
461.23309	8.1
473.23798	2.6
474.24097	0.7
477.22882	0.4
487.24921	1.3
489.23047	0.5
491.24716	0.6
492.25073	0.8
503.20789	0.3
505.21213	1.6
506.05551	0.3
515.24286	0.5
519.24268	1.6
532.24921	0.7
533.25055	0.4
547.26965	22.7
548.27637	1.0
575.26794	0.5
578.25323	0.7
579.29529	0.5
607.29041	100.0
608.29218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2905
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
50.08571	0.2
51.58126	0.2
52.99924	0.2
69.53242	0.8
69.53671	1.0
84.42577	0.2
129.25351	0.2
160.26590	0.2
195.39865	0.2
201.43452	0.2
209.10579	0.2
235.11955	0.2
329.25937	0.2
347.63022	0.2
362.92300	0.2
389.17523	0.8
401.17871	0.4
402.18573	0.6
403.19296	2.6
404.20038	0.7
405.20700	1.1
412.59583	0.2
415.19305	0.3
416.19980	0.7
417.21149	2.9
418.21689	1.4
419.22171	2.3
420.23083	0.3
429.21100	0.3
430.17490	0.6
430.22504	0.4
431.18182	6.2
432.18756	1.3
433.23950	7.7
434.24310	1.1
443.18530	0.4
444.18607	0.4
444.23712	0.3
445.19687	7.1
446.20670	3.5
447.21732	3.1
449.23154	0.2
457.20132	0.3
459.21237	3.1
460.22491	10.3
461.23300	11.5
472.22916	0.2
473.23575	2.8
474.24191	1.1
477.22864	0.4
487.25037	1.6
488.25754	0.4
489.22519	0.4
491.25092	0.4
492.25278	0.4
505.21402	1.7
506.26797	0.6
515.24072	0.7
518.23230	0.4
519.27313	1.5
532.24786	0.8
533.25397	0.4
540.94800	0.2
547.26996	44.4
548.27716	1.1
575.26556	1.2
578.24921	0.3
579.29541	0.9
607.29059	100.0
608.29370	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	607.2542
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
56.40303	0.2
63.22796	0.3
66.04620	0.3
71.12242	0.3
71.12575	0.7
114.95413	0.3
122.08041	0.3
123.05425	1.2
133.10054	0.6
142.65508	0.3
186.72575	0.2
209.10545	0.5
220.09735	0.3
221.10675	0.4
223.12317	0.3
251.11670	0.4
286.13397	0.4
311.13989	0.3
324.14911	0.3
373.15002	0.5
374.15079	0.6
375.15985	0.9
386.16211	0.3
387.16171	0.7
388.16867	1.4
389.17563	3.4
390.18314	1.1
391.19138	0.8
401.17636	0.9
402.13953	0.6
402.18927	1.3
403.19440	5.0
404.19891	2.7
405.20679	2.3
413.17648	0.3
415.15140	0.6
416.16187	1.2
416.20627	0.6
417.15924	3.9
417.20889	2.9
418.17557	1.2
418.21625	1.0
419.22485	7.5
419.59576	0.3
420.22830	0.7
426.96158	0.3
429.16977	0.5
430.17206	1.3
431.18173	8.6
432.19131	3.8
433.20050	3.1
434.21057	0.4
443.18750	0.6
445.20154	7.1
446.20972	6.6
447.21680	9.7
448.22180	1.0
457.20178	0.4
459.18063	2.4
459.22778	0.7
460.18793	1.1
461.19336	1.7
463.24738	1.0
473.18985	0.9
473.24060	0.8
474.20416	9.7
475.21143	13.1
476.21719	1.1
477.22708	0.8
478.23462	0.8
487.21283	2.4
488.22137	0.7
490.23740	1.5
491.20450	1.2
491.24707	0.9
501.22919	1.4
503.24667	0.5
504.21567	0.4
505.22244	0.9
518.23346	0.4
519.23975	13.1
520.24078	0.7
529.22278	0.5
532.21198	0.6
547.23322	61.3
548.23700	4.3
561.25092	1.2
579.25928	3.6
589.24115	0.9
607.25421	100.0
608.25653	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	607.2543
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.06625	0.5
64.18337	0.5
69.07083	0.5
86.09690	0.6
91.67772	0.5
101.12819	0.7
147.80643	0.4
152.09561	0.6
176.74687	0.5
286.13281	0.7
323.33313	0.5
341.15207	0.5
388.16956	0.8
389.17648	1.9
390.18149	1.2
391.19254	0.7
402.18353	1.5
403.19495	3.7
404.19998	1.3
405.20975	2.5
417.16333	4.3
418.17325	1.3
418.22354	0.7
419.22406	5.6
420.22873	1.0
431.18069	5.8
432.19214	2.5
433.19894	2.9
437.37982	0.6
445.20111	4.3
446.20944	6.8
447.21552	6.9
459.17242	0.6
459.22324	1.1
461.19876	1.9
462.24655	0.6
463.21060	0.6
473.19217	1.1
474.20441	4.8
475.20941	3.8
477.22995	0.9
487.21078	1.7
491.20377	2.8
501.22876	0.9
504.22198	0.6
505.21765	0.7
506.22821	0.8
512.12183	0.5
519.24030	17.2
520.24164	0.7
547.23248	14.7
548.24133	1.2
579.25995	6.3
580.26508	0.6
607.25446	100.0
608.25812	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	607.2543
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.92239	0.1
66.10563	0.2
69.64639	0.3
69.65041	1.1
98.21421	0.3
161.58385	0.2
172.03886	0.2
184.09952	0.1
195.09145	0.3
197.10733	0.2
197.53951	0.2
200.02371	0.1
201.70863	0.2
204.06575	0.2
209.10670	0.2
223.12361	0.2
236.38206	0.2
237.10233	0.2
251.11752	0.2
274.19504	0.2
298.13165	0.2
310.13544	0.2
341.15109	0.2
373.14191	0.2
374.15164	0.4
375.16092	0.6
376.17007	0.3
377.17337	0.2
387.15979	0.3
388.16776	1.0
389.17627	2.2
390.18552	1.1
391.19150	1.0
400.17648	0.2
401.17624	0.6
402.13974	0.2
402.18961	0.9
403.19385	3.8
404.20145	1.5
405.20743	2.7
406.21393	0.3
415.15036	0.4
415.19962	0.3
416.15710	1.4
416.21033	0.3
417.16071	3.5
417.21048	2.1
418.17612	0.9
418.21600	0.9
419.22366	5.7
420.23093	0.9
429.16974	0.5
430.16959	0.9
431.18234	6.7
432.19104	2.8
433.20038	3.7
434.20422	0.2
435.21939	0.4
442.17499	0.2
443.18723	0.4
444.19598	0.3
445.20081	5.0
446.20959	7.5
447.21689	8.0
448.22498	0.6
457.20169	0.3
459.17505	0.7
459.21997	1.2
460.18835	0.7
460.23627	0.3
461.19312	1.7
462.24533	0.4
463.20184	0.3
463.25153	0.5
473.19376	0.7
473.23654	0.6
474.20322	4.5
475.20987	4.5
476.21323	0.4
477.23148	0.9
478.23611	0.8
479.24194	0.3
487.21396	1.6
488.22348	0.2
489.18558	0.2
490.23334	0.6
491.19894	2.6
501.23047	1.4
503.24377	0.3
504.21442	0.5
505.22559	0.8
506.22980	0.5
519.23993	17.3
520.24524	0.9
529.22357	0.4
532.20935	0.5
535.23950	0.2
547.23334	13.4
548.23938	1.1
549.22266	0.2
550.22034	0.3
551.26788	0.3
561.24829	0.3
563.22998	0.2
579.25964	5.4
580.25958	0.2
589.24335	0.3
607.25415	100.0
608.25732	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	606.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91064	0.6
53.03928	1.4
55.01863	6.7
55.05506	3.8
56.05024	1.5
57.03422	2.7
57.07055	1.8
59.04989	1.6
60.04516	1.3
65.03932	0.7
67.05492	7.3
68.99761	1.1
69.03421	14.9
69.07059	6.2
70.02926	0.9
70.06584	25.4
71.01346	1.6
71.04996	5.9
71.06901	1.2
71.72398	1.4
72.07735	0.9
72.08145	8.8
73.02907	2.3
76.02199	1.0
79.05484	5.4
81.03390	2.4
81.07048	9.1
82.06590	0.7
82.07372	1.4
83.04973	2.1
83.06081	0.7
83.08601	1.8
84.04482	3.4
84.08135	6.1
85.02898	15.8
85.06548	3.4
86.06062	1.2
86.09697	23.2
87.00820	12.6
87.04443	3.2
87.05586	0.9
87.10030	2.1
88.03960	1.0
89.06033	1.3
91.05473	7.2
93.07031	8.0
95.04947	6.1
95.08598	9.9
96.08126	1.6
97.02278	1.5
97.02882	19.5
97.06514	2.9
98.06033	0.9
99.04465	1.6
99.08079	1.1
102.05519	0.9
103.05466	0.9
104.07088	1.9
105.01859	6.7
105.07018	9.4
107.04932	1.3
107.08590	10.2
108.08131	1.5
109.02863	2.5
109.06506	100.0
109.10147	23.9
109.10917	0.8
110.07185	3.3
110.09650	0.9
111.08082	2.3
115.03917	22.3
117.03358	0.8
117.07003	2.9
119.08569	5.7
120.08103	12.7
121.06487	2.2
121.08411	2.1
121.10133	6.6
122.09639	0.8
123.08063	10.1
123.11684	2.1
125.05984	0.8
125.09643	0.8
126.05503	1.0
127.03920	3.2
129.10228	3.0
130.06516	1.1
131.04828	0.7
131.08556	12.0
133.10129	15.7
135.08037	37.7
135.11664	2.3
136.07547	4.2
137.05937	2.3
137.09641	1.1
139.11134	1.4
142.08632	0.7
143.07124	0.6
143.08511	2.3
145.04939	1.4
145.10115	7.2
147.04393	1.3
147.11694	3.6
149.09598	3.5
149.13229	2.0
153.09082	4.3
154.08730	0.8
157.10007	0.8
158.10901	2.5
159.02902	0.9
159.11714	2.5
161.09619	0.7
161.13181	0.8
163.11194	2.8
163.14774	0.7
166.08566	1.0
169.09770	0.8
171.11536	1.2
173.09593	0.9
173.13248	20.0
175.14828	0.9
177.05426	1.2
177.12541	0.7
182.08177	0.6
185.13223	0.8
185.16495	0.7
187.11099	1.6
188.07043	0.8
191.14288	79.2
192.14417	0.8
199.18042	1.2
201.03937	9.2
201.16338	1.8
209.15344	80.3
210.15746	0.9
211.31606	0.6
215.10347	0.9
219.04982	9.5
220.17010	3.4
222.18578	1.6
227.17610	1.8
229.15508	1.0
233.11752	1.4
238.17966	8.3
239.18454	1.9
239.68842	1.5
240.19637	4.9
269.39407	0.7
272.84949	0.6
303.23230	0.9
304.23459	1.4
309.09122	0.6
318.18073	0.9
321.24332	1.2
322.24606	1.8
333.18433	0.9
340.19431	2.0
340.25598	1.2
358.20462	0.8
405.60403	0.7
475.34482	0.8
477.36530	0.9
552.35345	0.8
570.36194	1.6
588.37500	0.8
606.34503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
53.12136	1.9
55.01852	5.0
55.05490	15.9
57.03420	6.8
57.07063	4.1
58.06580	5.1
59.04982	6.3
61.02907	3.2
62.74498	2.1
67.05492	29.6
69.03416	21.7
69.07059	30.6
70.06203	3.4
70.06580	58.6
70.68835	1.8
71.04974	31.1
71.06924	2.2
72.08146	8.7
73.02908	3.6
79.05472	13.4
81.03388	11.5
81.07042	67.1
83.04980	6.3
83.08615	10.7
84.04517	4.0
84.08139	8.8
85.02446	1.6
85.02892	42.2
85.06541	17.6
86.09687	27.9
87.00818	7.5
87.04445	3.7
89.06034	6.3
91.05466	14.4
93.07028	26.3
95.04964	9.8
95.08592	40.7
96.08102	2.6
97.02895	7.2
97.06512	11.9
97.10149	6.6
97.27226	2.0
99.04434	5.1
99.08064	5.9
100.11234	6.2
101.06033	2.6
104.05317	2.2
105.01887	6.9
105.07003	18.0
107.08571	26.9
108.08121	4.1
108.08869	2.4
109.02876	8.5
109.06503	11.5
109.10134	51.5
110.07189	2.9
111.04416	4.5
111.08058	11.5
111.11724	5.8
116.07091	2.7
117.06999	5.1
119.08546	19.5
120.08096	16.0
121.10120	23.4
121.10795	2.1
122.09661	2.2
123.08073	5.0
123.11689	56.3
125.05949	2.3
125.09629	10.6
127.03872	12.9
127.07576	3.5
127.11175	4.6
127.13738	2.5
129.05409	5.3
129.06966	3.2
129.10268	6.3
131.08582	8.7
133.10133	12.0
134.09644	2.4
135.08046	4.4
135.11697	9.0
136.07533	4.9
137.06007	2.6
137.09660	7.8
137.13239	5.9
139.07571	2.0
139.11171	7.7
142.44035	2.2
143.08537	3.9
143.10654	7.5
145.04961	5.8
145.10103	11.1
147.11674	15.0
148.11195	3.6
149.09645	5.8
149.13264	7.4
151.07478	2.4
151.11185	5.3
153.09103	3.4
153.12819	3.2
155.10703	5.7
157.10100	3.7
158.97598	2.6
159.02867	3.8
159.11688	9.1
160.07509	3.3
161.13249	5.5
163.11238	4.3
163.14790	2.6
165.09154	6.3
165.12787	9.2
171.11676	3.3
173.13196	2.5
175.11229	2.9
175.14806	3.2
177.12758	4.7
177.16464	3.3
178.08607	2.0
182.15399	4.9
183.10191	5.4
183.15016	3.5
185.13162	2.5
186.38011	2.5
187.14880	4.9
189.12740	4.3
191.14339	3.7
197.13229	2.9
201.11188	3.8
201.16487	6.4
203.14307	5.6
205.15903	3.5
210.14912	5.1
211.14967	2.9
213.16429	2.4
215.17961	3.1
216.99191	2.0
217.15855	2.3
218.15314	2.6
219.08571	2.0
219.17505	2.8
220.16980	9.1
221.15312	2.2
222.18462	21.7
227.17685	2.3
230.15086	3.7
233.19090	4.3
237.18452	10.4
238.18011	18.7
238.68254	5.6
239.18649	9.5
240.19537	74.5
240.21826	4.1
241.19791	2.7
245.30557	2.5
249.18687	2.0
251.20181	9.5
253.17941	3.8
256.00360	12.3
258.18509	2.6
263.20135	3.2
270.14938	3.7
276.19534	4.7
285.22205	7.6
288.15723	3.0
291.23227	9.4
302.17630	2.5
303.13571	2.7
303.23114	35.2
303.26352	2.5
304.19269	4.7
304.23273	2.7
309.24185	15.1
321.11475	2.3
321.20706	2.6
321.24167	41.0
321.27606	3.9
322.20105	11.6
330.16837	4.7
339.12604	8.8
339.25232	30.8
348.13422	2.0
348.18011	4.6
357.13464	3.0
358.07300	7.7
366.19263	3.4
378.69635	2.5
443.27832	2.5
459.22427	25.1
459.72522	11.9
475.35254	4.0
477.37122	4.4
543.37585	2.4
561.38763	4.4
587.36664	15.4
605.37970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05013	1.4
58.06600	0.4
60.04510	2.3
60.51448	0.4
68.04996	0.7
69.03433	0.5
69.04566	0.4
69.07050	1.0
70.06579	100.0
71.06908	1.0
72.08147	4.0
74.06073	4.3
83.06095	0.8
84.04488	3.8
84.08125	7.2
85.02908	0.6
86.06060	0.6
86.09690	17.8
87.05579	1.2
91.05476	1.4
97.07620	0.4
98.02390	0.4
98.06023	0.4
98.20699	0.8
99.05589	1.6
101.07128	0.5
102.05539	1.3
104.05238	0.4
106.21648	0.4
109.02848	0.4
110.07151	1.5
112.08765	0.5
113.07130	0.6
114.09174	0.9
115.08699	2.9
116.07089	1.4
117.06648	0.7
119.04948	0.5
120.08105	0.5
122.06032	0.5
125.07117	0.4
126.05517	0.8
127.05021	3.3
127.08672	1.2
129.10213	6.4
130.04984	1.1
131.08170	0.6
135.04472	0.5
136.07552	4.2
140.08218	0.4
141.06569	0.7
141.10217	3.1
142.08632	0.4
142.12288	0.4
143.11766	0.4
145.06094	1.4
147.04359	0.8
147.07596	0.5
153.06647	1.3
155.08105	1.7
159.07678	1.2
163.03856	0.9
169.09705	3.7
170.09181	1.8
171.07657	0.6
171.11314	0.5
173.05392	0.3
177.08685	2.6
179.01529	0.4
181.06145	0.6
183.14893	31.4
185.09137	0.5
185.12852	0.5
186.12372	0.8
187.07265	0.8
187.10808	0.6
187.14392	0.9
195.11307	0.8
198.08717	5.4
201.12315	0.6
209.16653	0.4
211.14384	12.3
215.13885	2.7
216.09860	1.2
223.10751	0.9
224.10474	0.7
228.16966	0.7
230.11427	0.5
238.11870	0.5
239.10408	0.6
242.11404	1.1
251.10487	0.4
254.11374	1.0
254.18703	0.4
268.16626	0.8
272.16098	1.4
282.18106	1.0
284.16138	0.9
285.15683	1.0
294.18137	1.4
295.14032	1.1
299.13538	0.4
312.19073	2.9
313.15009	3.8
351.20261	0.7
369.21167	2.1
380.23068	0.6
387.22314	31.9
388.22873	0.7
397.74222	1.6
398.24008	4.8
408.22296	3.4
414.19696	0.6
426.23322	7.7
458.25897	4.1
491.26257	1.4
499.28665	0.9
509.27094	3.8
510.27258	0.3
527.28278	5.2
566.29962	0.5
584.30273	1.4
602.31250	4.4
603.31586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01864	2.3
55.05503	9.5
56.05026	1.1
57.07061	2.9
58.99580	8.3
59.04998	1.3
60.80033	0.9
61.01132	1.1
65.03925	1.9
67.05493	20.6
69.03428	2.4
69.07059	14.4
70.06580	17.2
71.76976	1.3
72.08148	3.9
73.01105	1.1
73.02940	1.0
74.00658	6.1
76.02221	17.4
76.03979	2.4
77.03899	1.1
79.05482	30.1
81.03390	1.1
81.06570	1.7
81.07047	26.9
81.07506	2.0
83.04964	1.9
83.06091	2.5
83.08608	8.6
84.04498	11.4
84.08134	3.8
85.02905	4.4
85.04033	1.1
85.06532	2.6
86.06081	2.1
86.09684	8.9
86.99044	4.5
88.02200	2.0
89.06026	2.0
91.05463	17.3
93.07031	42.8
93.37660	1.0
94.06579	1.8
94.07359	1.0
95.04964	3.8
95.08598	22.1
96.08097	2.2
97.01102	1.4
97.02859	1.2
97.06510	2.6
97.10166	5.3
99.04450	1.1
99.05558	2.2
99.08076	1.4
101.05962	1.2
102.05511	1.8
103.03960	1.6
103.05469	1.5
105.04495	1.2
105.07008	15.2
107.04957	1.5
107.08584	30.6
109.06495	2.1
109.10139	9.7
110.07156	1.5
110.52321	1.1
111.08077	1.1
116.01662	21.6
116.10739	1.8
117.07019	5.2
119.08552	10.8
120.08103	6.8
121.06494	1.3
121.10123	17.9
123.08038	1.9
123.11703	4.4
125.09618	1.3
127.03834	1.6
129.06822	3.5
129.10234	2.6
130.04974	7.0
130.18935	1.1
131.08542	7.5
132.08084	1.5
133.08525	1.4
133.10112	10.7
135.08057	1.1
135.11678	20.2
136.07561	1.5
137.04160	1.7
137.09622	1.8
137.13268	1.6
142.03191	5.3
143.08551	4.3
144.01144	9.5
145.06155	2.9
145.10104	7.7
147.11639	7.9
149.09576	2.3
149.13219	15.1
157.10081	3.0
159.09232	1.2
159.11691	5.8
161.09616	1.8
161.13281	5.5
162.02184	43.1
163.11131	1.2
163.14784	4.1
165.07306	1.2
170.02640	2.2
171.11635	3.1
173.09554	1.3
173.13237	4.2
175.08717	1.5
175.14783	2.2
176.07117	1.8
177.03255	2.0
177.12811	1.2
178.08672	1.4
179.04855	16.0
179.09087	1.1
185.03763	2.4
185.13280	3.9
187.05350	1.6
187.14832	1.3
189.12759	1.4
197.13300	1.3
199.14874	2.3
201.12547	1.5
207.13760	2.2
211.14543	1.7
215.14268	1.0
220.16945	3.1
221.15381	2.4
222.18506	1.7
223.18878	1.2
224.16443	1.5
231.04225	2.5
233.05928	1.6
235.16989	3.1
238.18033	5.4
238.68262	1.4
239.18694	3.8
240.19571	5.4
241.19629	4.6
245.06001	2.4
252.53746	1.2
257.18991	1.5
259.20508	8.3
275.20074	3.8
277.21591	100.0
291.17688	1.9
294.24219	1.4
295.22656	1.5
307.17068	2.6
308.09033	5.6
309.18933	6.4
334.15421	1.1
334.21982	1.5
335.16010	1.4
335.20425	2.9
339.80566	1.1
342.22855	4.5
352.22885	6.3
353.21545	1.1
362.21423	2.2
370.24045	24.9
380.22745	1.2
420.22226	2.5
423.94836	1.0
438.23029	5.9
440.30051	2.5
449.59534	1.1
455.25775	17.0
456.23917	7.9
473.26770	39.4
504.27579	1.2
527.27856	13.6
584.29858	2.8
601.37872	1.9
602.30652	17.3
602.38818	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	602.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01855	5.9
55.05498	11.2
56.05014	11.5
57.03421	5.1
59.04996	3.3
61.01160	2.9
61.02908	3.1
67.05503	20.2
69.03419	14.1
69.07053	36.6
70.06586	93.2
71.04977	7.3
71.06895	3.2
71.75768	4.9
72.08154	26.2
73.08475	2.7
74.06048	5.3
79.05474	27.1
81.03402	7.8
81.07043	42.3
82.06553	4.1
83.04953	12.3
83.08606	9.9
84.04119	2.4
84.04507	26.5
84.08129	71.9
85.00854	2.9
85.02892	34.9
85.06501	6.5
85.08463	6.3
86.09695	89.1
87.00776	3.4
87.04456	5.8
87.09995	5.3
88.03973	5.0
89.06014	18.7
91.05475	21.7
93.07024	23.9
94.06585	6.1
95.01321	32.3
95.04936	17.6
95.08588	22.8
96.08092	7.5
97.02866	12.5
97.06520	29.6
98.09708	2.3
99.04425	6.5
102.05522	16.0
103.05438	4.6
103.64285	3.2
105.01844	3.4
105.07019	45.1
107.04935	18.2
107.07059	3.4
107.08567	20.8
108.08099	8.9
109.02917	3.9
109.06538	16.5
109.10139	4.7
109.27589	2.6
110.07139	10.6
110.09668	3.7
113.02376	5.4
116.10696	2.7
117.06995	10.8
119.04924	6.6
119.08562	17.5
120.08101	26.8
121.06481	24.2
121.08453	4.0
121.10125	11.8
122.09677	3.6
123.04456	2.7
123.11630	4.2
125.05981	14.1
125.09623	3.4
127.03892	9.4
128.06223	4.4
129.01839	3.4
129.07039	5.3
129.10233	36.4
130.05014	4.5
130.07750	5.1
130.10580	4.0
131.08539	19.0
133.06470	24.7
133.08582	3.7
133.10110	8.1
135.04385	5.8
135.08032	5.8
135.11658	9.2
136.07564	22.5
137.00385	2.7
137.05951	8.6
137.13234	7.3
141.01796	30.8
141.06929	3.2
141.12703	3.3
142.12279	3.0
143.08507	7.3
144.09265	6.2
145.04965	3.1
145.06448	10.6
145.10110	79.5
147.04405	5.6
147.07919	2.8
147.11613	7.5
149.09537	5.0
150.15637	2.9
152.07076	3.5
154.11940	2.9
155.08258	5.3
155.14270	9.8
157.10043	7.7
157.13367	4.0
158.07260	8.6
159.08020	15.4
159.09219	5.3
159.11673	41.6
161.09534	5.2
163.11160	100.0
163.12527	6.3
169.10109	15.4
171.11606	5.9
172.08820	5.5
173.09610	85.0
173.12949	3.3
174.10001	3.5
177.03920	13.5
181.12219	4.4
183.14928	3.7
187.11160	90.9
189.12775	3.9
191.10651	37.4
195.12427	4.0
197.09613	9.4
197.13007	3.7
201.03915	10.8
205.12231	11.8
210.18498	5.1
212.16312	16.3
213.87929	2.7
215.10648	94.5
215.13782	4.7
219.64316	2.7
220.17007	14.3
221.17297	5.7
222.18481	7.6
229.15550	3.8
233.11693	79.9
236.16365	5.2
238.17973	50.1
238.68123	8.0
239.18658	14.5
239.68980	5.6
240.19557	23.1
241.09683	3.5
241.19923	3.1
244.17900	2.7
251.12715	12.0
256.19092	4.3
269.13846	12.9
272.18573	31.5
283.07877	4.0
297.09778	3.4
299.10190	4.3
300.10886	3.2
314.10349	2.6
319.24722	32.1
325.18820	9.1
325.69049	5.8
337.25940	16.9
349.12830	5.4
363.14270	7.2
367.13492	3.0
373.12808	17.6
374.21729	18.2
391.13867	50.6
392.13977	4.9
409.15005	18.8
440.29959	4.6
475.35138	5.2
476.35638	3.7
477.36990	5.9
489.36517	4.2
567.16821	5.0
602.26501	5.7
602.36444	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
54.18022	3.1
55.05503	42.1
57.07058	14.7
59.04993	5.7
65.03923	5.6
67.05490	38.7
69.03400	10.8
69.07053	25.0
70.06586	4.2
70.85709	3.2
71.04992	6.2
71.53191	3.1
71.76046	5.0
72.76810	3.5
79.05486	28.9
81.07042	63.1
83.04964	19.4
83.08604	45.0
85.06533	8.6
86.09681	5.1
87.04436	7.4
91.05469	56.7
92.38895	3.4
93.07037	87.3
95.04936	23.1
95.08585	55.4
97.06506	20.6
97.10136	3.8
99.04411	4.2
104.10697	7.0
104.33215	3.0
105.07012	95.4
107.08575	100.0
109.06497	17.4
109.10130	43.3
111.08047	6.1
113.09631	9.4
115.05437	6.4
116.06178	4.9
117.07045	17.5
119.08563	88.4
121.06515	9.3
121.10119	85.2
123.08077	19.5
123.11685	11.5
125.09599	17.4
128.06184	13.4
129.06982	17.4
130.07741	12.0
131.08545	49.8
133.10115	76.7
135.08032	11.8
135.10767	3.5
135.11652	19.7
137.09587	12.3
139.11153	13.6
141.06972	10.5
142.07787	21.2
143.08548	44.4
144.09299	10.0
145.10100	68.6
147.07979	10.9
147.11668	31.9
149.09567	24.8
149.13290	6.2
151.11191	4.8
153.06966	7.8
155.08574	24.7
155.10637	12.8
155.17252	3.4
156.09317	23.3
157.10117	70.5
158.10794	11.3
159.08028	15.3
159.11656	43.1
161.09616	12.0
161.13220	8.6
163.11148	6.4
165.06923	8.3
165.09132	8.8
167.08537	13.7
167.10670	59.3
168.09343	9.8
169.10114	37.9
170.10875	9.4
171.08064	3.9
171.11661	43.9
173.09540	5.6
173.13229	27.5
175.11217	7.9
175.14790	14.9
177.94640	3.7
179.08461	9.8
179.14261	4.9
180.09224	4.1
181.10129	15.3
181.12138	21.1
182.10835	12.3
183.11661	34.5
185.09665	5.2
185.13213	19.4
187.11118	3.8
187.14847	16.4
189.12686	5.3
191.14288	13.5
192.09290	4.3
193.10123	16.8
194.10895	7.5
195.11667	24.0
196.12445	10.1
197.13211	46.2
199.11206	4.6
199.14761	20.8
201.12753	4.3
201.16342	6.8
203.14258	6.6
205.10048	4.5
206.10965	6.8
207.11668	14.6
207.13623	5.6
208.12419	6.8
209.13261	30.5
210.13763	5.1
211.14740	17.7
212.15334	4.4
213.12743	3.8
213.16307	7.7
215.14195	5.3
217.15871	10.0
219.11557	7.1
220.12422	8.5
221.13203	15.1
221.15349	25.9
222.13957	5.0
223.14786	17.4
225.12807	5.7
225.14488	16.7
225.16614	7.5
227.14195	6.9
231.11586	6.6
232.12474	6.2
233.13219	6.7
233.15283	36.7
235.14799	13.9
237.16299	11.1
239.17892	7.3
241.15895	5.3
243.17455	4.3
246.13889	4.3
247.14752	8.0
247.17064	4.9
247.69365	3.3
249.16365	7.5
251.17996	6.0
253.19395	4.8
257.13412	3.9
257.19070	8.6
259.14664	5.4
261.16373	12.1
263.17880	9.4
265.19504	8.4
269.18964	15.7
271.20551	5.0
273.16281	7.8
275.17822	8.2
277.19592	4.0
281.18958	5.0
283.20651	7.4
289.19424	5.0
293.19067	3.9
295.20444	7.0
299.20218	6.5
303.21011	4.3
321.21606	3.9
335.23450	6.4
343.24170	4.1
349.25253	6.4
358.86548	3.3
361.25128	9.4
375.25427	11.6
397.28534	3.8
415.29901	13.5
565.40045	14.2
583.41309	27.4
601.42590	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89362	2.2
52.67059	2.5
53.03936	5.7
55.05498	24.9
57.07061	8.8
59.04987	4.3
60.41560	3.1
65.03934	6.6
67.05495	31.5
69.03417	17.1
69.07056	31.1
69.48610	9.8
69.49036	18.5
71.04971	3.6
79.05476	37.0
79.80471	2.5
81.07041	43.5
83.04971	26.0
83.08598	18.2
85.06541	5.9
85.92062	2.5
87.04470	4.1
91.05467	64.2
91.09731	2.8
93.07030	89.5
94.02198	2.6
94.07388	3.9
95.04964	29.5
95.08592	46.1
97.06508	17.3
103.05449	4.5
105.07017	100.0
106.07292	3.4
107.05000	3.0
107.08582	84.9
108.08910	5.5
109.06525	19.7
109.10143	37.3
111.08074	6.5
111.11733	3.8
113.09632	6.7
115.05432	6.8
116.06204	3.3
117.07020	24.9
119.08562	99.9
120.08945	3.8
121.06520	13.7
121.10122	87.4
122.10455	3.8
123.08036	17.8
123.11694	12.1
124.08343	2.6
125.09610	17.4
127.39919	3.2
128.06200	13.5
129.07016	19.8
130.07762	8.6
131.08546	45.2
133.06490	4.0
133.10103	67.7
133.11041	4.7
135.08038	20.8
135.11661	25.0
137.09612	11.7
139.11169	10.5
141.06976	10.6
142.07748	24.6
143.08543	51.2
144.09294	12.0
145.06480	3.5
145.10106	75.1
145.11253	3.7
146.10480	4.0
147.08017	14.1
147.11661	31.1
149.09569	21.5
149.13246	5.5
151.07512	4.9
151.11110	3.0
153.06984	3.9
154.07732	4.8
155.08551	22.7
155.10654	5.4
156.09325	18.9
157.10115	71.4
158.10753	10.1
158.88112	2.8
159.08035	21.4
159.11662	53.1
160.08762	3.6
160.12175	3.7
161.09596	16.7
161.13297	11.2
163.11179	8.5
165.06979	6.2
165.09148	7.2
166.07741	6.1
167.08493	10.3
167.10663	73.5
168.09366	3.4
168.11064	3.1
169.10124	32.9
170.10777	13.1
171.11656	43.0
172.12193	3.0
173.09634	9.7
173.13258	27.1
174.13693	3.4
175.11192	8.3
175.14801	13.7
179.08511	10.3
180.09261	6.7
181.10081	19.8
181.12233	7.6
182.10889	14.8
183.11679	35.8
184.12277	7.9
185.09665	3.1
185.13232	22.3
186.13834	2.9
187.11189	6.6
187.14743	14.8
189.12781	6.6
191.14261	8.2
192.09328	6.6
193.10109	15.5
193.12106	2.6
194.10803	6.3
195.11681	29.9
196.12387	11.0
197.09598	4.1
197.13269	27.0
199.11287	6.6
199.14772	16.7
201.12828	6.7
201.16380	7.7
203.14268	7.9
205.10110	5.6
206.10893	8.1
207.11699	17.9
207.13574	4.0
208.12376	10.3
209.13274	28.4
209.15169	4.1
210.13857	8.8
211.11035	3.2
211.14803	22.0
213.12671	4.8
213.16356	4.6
215.14293	8.0
217.15921	7.2
219.11717	7.0
220.12334	5.7
221.13249	17.0
221.15378	27.6
222.13919	6.2
223.14789	20.2
224.15202	3.5
225.12729	5.8
225.16312	10.8
227.14326	6.5
229.15787	3.3
230.10857	3.2
232.12465	3.0
233.13193	10.2
233.15376	36.5
234.13914	4.3
234.15974	6.0
235.14818	9.5
236.15442	3.6
237.16425	9.7
239.17917	4.0
241.15947	3.5
245.13329	6.1
246.14050	3.4
247.14687	8.4
249.16380	4.0
250.17026	2.9
251.17854	7.7
253.15816	3.8
253.19467	3.4
255.17421	6.6
257.18906	4.2
259.14661	5.4
261.16336	8.7
263.17914	6.8
265.19501	7.0
267.17334	3.1
267.20938	3.0
269.18991	9.9
273.16159	4.5
273.18768	3.7
274.16934	3.1
275.17850	8.5
277.19589	3.2
279.17337	3.3
281.19116	5.0
283.20535	7.4
285.18530	4.9
287.20319	5.2
291.21033	5.7
295.20544	4.2
299.20029	7.3
311.20248	3.3
331.24387	3.5
343.24127	3.7
349.25235	4.2
361.25006	4.2
365.24609	4.2
369.04413	3.0
393.46390	3.3
491.34637	3.2
509.35468	3.1
565.40283	7.9
583.41357	12.3
601.42175	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.4
53.03934	3.7
55.05510	19.3
57.07059	8.5
59.04976	3.6
65.03944	4.1
67.05498	28.2
68.05830	4.4
69.03406	19.9
69.07065	25.4
69.45638	7.0
69.46057	25.3
71.04979	5.2
79.05486	31.0
81.07053	44.9
83.04972	22.1
83.08598	12.1
85.06509	6.5
91.05468	52.9
92.05806	5.3
93.07040	81.3
94.07375	5.6
95.04961	23.7
95.08602	39.9
96.08907	4.0
97.05970	3.0
97.06518	14.5
97.10151	3.3
102.91151	3.0
103.05448	3.3
105.07013	100.0
106.07345	6.3
107.04987	3.1
107.08575	77.3
109.06532	18.1
109.10135	28.4
111.08088	6.6
113.09636	4.8
115.05434	6.0
115.96670	3.0
117.06995	19.2
119.08568	81.5
120.08888	3.3
121.06470	9.2
121.10123	80.8
122.10500	3.5
123.08064	18.1
123.11672	6.6
125.05946	3.3
125.09618	12.1
128.06206	12.9
129.07028	18.6
130.07776	8.6
131.08548	43.2
133.06491	4.9
133.10120	60.7
134.10483	4.0
135.08047	23.2
135.11682	17.5
137.09590	9.0
139.11133	4.7
141.06964	11.0
142.07773	22.0
143.08560	45.4
144.09222	9.2
145.10110	78.6
146.07224	3.3
146.10455	4.6
147.08028	19.3
147.11687	21.9
149.09641	16.0
149.13194	4.4
151.07529	9.3
151.11168	4.4
154.07747	4.6
155.08575	17.3
155.10674	8.2
156.09317	16.5
157.10118	68.2
158.10497	13.4
159.08012	18.5
159.11674	42.9
160.12033	4.3
161.09581	16.5
161.13242	9.4
163.11179	14.2
164.75993	2.9
165.06982	5.5
165.09093	18.5
166.07732	6.1
166.09346	3.1
167.08510	7.6
167.10678	44.9
168.09280	5.2
169.10117	34.8
170.10785	8.5
171.11674	40.7
172.12172	9.2
173.09648	9.0
173.13226	24.9
174.13541	4.5
175.11142	14.6
175.14774	15.2
177.12698	3.6
179.08516	11.4
180.09142	4.8
181.10129	19.3
181.12218	14.2
182.10846	8.6
183.11656	25.4
184.12172	6.8
185.09612	4.9
185.13284	20.6
187.11165	6.8
187.14775	12.4
189.12701	11.0
190.13481	3.0
191.14281	8.3
192.09322	4.7
193.10068	12.5
194.10823	8.6
195.11652	26.2
196.12257	10.9
197.13257	31.2
198.10167	3.7
198.13667	5.4
199.11102	6.1
199.14771	14.1
201.12764	5.1
201.16391	4.4
203.14246	12.2
205.10150	4.9
206.10869	6.4
207.11650	15.9
207.13766	8.1
208.12389	6.2
208.14386	4.1
209.13257	27.8
209.15155	5.6
210.13817	6.3
211.11165	3.5
211.14719	18.6
212.15527	3.4
213.12761	6.1
213.16359	5.5
215.14259	5.9
217.15851	4.9
219.11661	5.2
220.12234	7.8
221.13213	12.3
221.15361	47.6
222.13722	4.7
222.15666	11.6
223.14752	18.3
224.15253	4.1
225.16298	9.1
227.14227	5.8
231.11598	3.5
232.12125	4.0
233.13194	8.5
233.15373	22.8
234.13747	4.2
234.15929	6.1
235.14754	12.0
235.16869	3.7
236.15141	6.2
237.14499	4.5
237.16565	7.1
239.14449	3.8
239.17938	6.3
245.13167	6.9
247.14635	6.0
247.16924	3.8
249.16428	6.9
250.17046	3.3
251.17841	7.4
253.15906	3.4
253.19511	3.6
255.17427	6.4
256.17810	6.9
258.13773	2.9
259.14795	4.9
261.16299	9.2
263.17975	5.3
265.19495	6.9
267.17303	6.4
269.18961	15.7
271.20428	4.1
273.16245	5.5
275.17712	3.6
277.19223	3.7
279.17389	4.1
281.18921	7.3
283.20663	6.9
287.19885	4.3
291.21042	4.7
295.20428	8.1
297.22159	5.0
299.20306	6.8
300.20697	4.0
303.19476	6.1
304.19836	5.3
326.21808	3.4
338.21777	3.2
349.25476	3.7
352.23828	7.6
353.24374	14.7
365.25125	3.8
366.25137	4.8
367.26233	4.2
503.34845	5.8
521.35651	11.4
527.35730	3.0
565.40076	10.2
583.41083	11.8
601.42017	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	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.0
55.66669	2.8
57.07045	13.1
59.04974	5.1
60.32404	3.1
67.05496	17.5
69.03410	7.5
69.07050	7.9
70.07397	5.7
70.07787	10.0
79.05478	13.1
81.07049	31.0
83.08582	6.6
85.06504	3.1
89.06001	5.6
91.05471	21.5
93.07021	34.6
95.04950	11.8
95.08588	25.1
96.53426	2.6
97.06515	6.8
105.07021	35.3
107.08594	24.6
109.06496	11.6
109.10129	12.9
115.05350	3.4
117.06995	13.0
117.32205	2.9
119.08566	45.3
121.06468	7.9
121.10120	28.8
123.08067	16.8
125.05971	5.4
129.07013	6.8
131.08537	15.9
133.06444	3.5
133.10112	21.8
135.08028	10.5
135.11652	6.9
137.09596	14.4
141.06906	3.0
142.07709	9.0
143.08502	11.3
144.09250	5.9
145.10110	37.8
147.08037	23.0
147.11659	10.9
149.09555	6.0
151.07561	15.4
151.11093	3.0
155.08519	6.2
156.09302	5.8
157.10103	23.9
158.10754	3.7
159.07982	4.4
159.11655	20.7
160.12158	3.5
161.09596	7.4
161.13219	5.9
161.85138	2.9
163.11205	10.2
165.09090	48.9
167.08575	4.2
169.10187	7.5
171.11569	12.4
173.09628	4.9
173.13263	7.3
175.11133	7.5
175.14793	6.6
181.10066	4.6
181.12177	12.4
182.10869	5.3
183.11588	10.4
185.13229	8.2
187.14783	5.8
189.12816	4.7
191.14195	5.6
193.10101	5.9
195.11710	7.1
196.12300	4.2
197.13222	8.8
199.14830	5.8
201.12683	3.3
203.14285	15.4
205.15956	3.5
207.11757	5.3
207.13707	7.4
209.13171	8.7
211.14798	4.0
215.14349	3.7
219.13754	4.6
221.13455	3.7
221.15329	100.0
222.15639	11.3
223.14870	3.2
226.16670	3.4
234.16043	4.1
235.14542	5.2
238.18024	4.5
247.17030	4.1
284.26675	4.4
287.20056	3.7
295.24677	4.4
299.19843	7.8
301.21616	6.3
352.23535	3.0
353.24472	3.9
367.26230	7.5
441.29568	6.8
491.34842	14.1
509.35455	3.7
510.37155	3.6
521.35779	10.7
583.41296	13.7
601.42383	38.9
601.55426	10.8
602.43164	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02434	0.9
53.03947	2.5
55.05512	5.1
56.87152	0.8
57.07072	7.1
59.04995	2.2
65.03921	1.4
66.67150	0.8
67.05499	9.0
69.03417	5.3
69.07066	4.5
69.73029	8.1
71.04990	1.1
77.03948	0.9
79.05488	9.4
79.60924	0.8
81.03421	1.4
81.07043	13.7
83.04992	3.3
83.08613	1.7
85.06544	3.4
87.59695	1.0
91.04934	2.0
91.05472	17.1
92.06310	1.1
93.07033	26.8
94.07367	1.2
95.04969	6.4
95.08595	15.7
97.06537	3.0
98.20712	1.8
99.08098	1.0
100.48238	1.0
103.05478	1.3
105.07020	28.4
106.07337	2.1
107.05009	1.1
107.08585	15.5
109.06499	6.7
109.10137	6.8
111.08075	1.5
115.05474	2.0
117.06988	8.0
119.08569	32.5
120.08961	3.4
121.06492	5.0
121.10140	15.0
123.08070	12.1
123.11739	2.7
125.05986	3.2
125.09630	1.2
128.06242	2.6
129.06996	5.6
130.07773	2.6
131.08557	15.0
133.06474	1.7
133.10118	19.3
135.08038	9.2
135.11649	5.6
136.08408	1.0
137.05975	1.7
137.09596	9.5
139.07639	1.2
141.06967	1.4
142.07780	5.8
143.08554	10.5
144.09306	3.0
145.06476	1.1
145.10110	25.6
146.10536	2.1
147.08038	19.3
147.11699	5.4
148.08409	1.8
149.09637	5.4
149.13234	1.2
151.07504	8.3
151.11169	1.4
153.09082	1.4
155.08568	5.5
156.09361	4.1
157.10117	18.0
158.10776	2.8
159.08054	2.7
159.11693	12.7
160.12160	1.8
161.09573	7.7
161.13211	6.0
163.11171	6.7
164.11609	1.9
165.07016	1.9
165.09096	39.7
166.09508	3.5
167.08612	1.7
168.09386	1.4
169.10123	8.7
170.10876	2.0
171.11665	9.6
172.12201	1.9
173.09621	2.6
173.13248	5.2
175.11212	3.8
175.14909	3.8
176.11565	1.8
179.08626	2.7
179.10513	1.4
179.14392	1.1
180.09277	1.3
181.10187	3.7
181.12251	10.3
182.10933	3.0
182.12527	1.3
183.11661	7.7
184.12277	1.7
185.13222	6.9
186.10341	1.1
187.11223	2.9
187.14766	5.1
188.11795	1.3
189.12701	4.5
190.13547	1.8
191.14246	2.2
193.10155	2.6
193.12291	3.1
194.10866	1.5
195.11723	5.0
195.13734	1.1
196.12398	1.5
197.13220	5.2
199.11104	1.6
199.14848	2.2
201.12732	3.1
203.14284	16.5
203.16064	1.0
205.15959	1.8
207.11755	3.2
207.13846	5.7
208.12500	1.6
208.14485	2.2
209.13295	5.8
209.15111	2.0
210.13785	1.8
211.11133	1.0
211.14886	4.0
213.12752	1.7
213.16394	2.2
215.14314	1.6
217.15955	1.2
219.13876	1.2
221.15332	100.0
222.15666	9.4
223.14934	3.3
225.12825	1.6
225.16399	2.8
229.16017	1.4
231.13782	1.4
234.16223	3.3
235.14655	2.1
235.16682	2.9
237.12663	1.3
237.16472	3.1
239.17943	1.5
245.15489	1.0
247.17014	4.5
248.17491	3.2
250.17111	1.0
263.17847	1.1
265.19531	1.1
267.17462	1.5
271.17160	1.2
274.19305	2.0
281.19009	1.2
283.20654	1.7
285.18604	1.5
286.19293	1.8
287.20160	4.2
299.20172	3.9
300.20602	2.7
301.21643	2.6
311.20120	2.5
312.20825	2.6
313.21329	3.1
325.21555	2.0
326.22122	3.5
337.21805	1.1
340.23795	2.1
341.24432	2.3
349.25281	1.4
352.24023	3.9
353.24341	6.5
354.24921	1.5
365.24939	1.5
366.25397	1.6
367.26132	7.6
375.26730	1.7
391.26447	1.0
392.26547	1.3
393.27994	2.8
426.27054	1.8
427.28311	1.7
428.28708	2.0
440.29367	3.1
441.29596	7.5
455.32599	1.2
491.35196	8.0
502.40356	1.0
508.35318	1.3
509.36191	3.1
520.35858	1.6
521.35852	12.9
565.40851	1.3
583.41461	11.1
601.42419	37.2
601.51270	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	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30825	6.3
54.44148	5.1
55.01835	7.7
55.05501	10.7
57.02420	6.8
57.07069	13.6
59.04982	8.8
67.05484	24.2
69.03400	8.7
69.07055	16.1
69.54706	12.7
69.55096	53.4
71.04977	8.2
71.08612	5.8
77.62317	6.6
79.05477	26.3
80.06243	7.2
81.07040	26.8
83.04962	10.0
83.08612	18.1
85.06529	8.7
87.04459	8.0
89.06002	26.7
89.24884	5.9
91.05471	41.0
93.07034	61.3
95.04950	19.1
95.08597	39.0
95.43833	6.1
97.06518	29.6
100.95343	5.7
105.07029	71.8
107.08591	41.0
109.06488	16.6
109.10167	30.1
111.08073	7.7
113.09641	10.0
117.06999	25.6
119.08561	67.7
121.06432	8.1
121.10126	34.3
123.08058	25.8
125.05962	7.3
125.09577	10.1
129.06982	20.6
131.08559	35.4
133.08618	14.7
133.10074	36.0
135.08020	13.0
135.11650	19.2
137.09570	16.4
139.11163	7.5
141.06944	12.0
142.07738	13.8
143.07510	5.9
143.08516	39.8
144.09314	17.0
145.06441	22.8
145.10101	60.1
147.07996	22.7
147.11649	17.8
149.09610	7.2
149.13179	7.4
151.07466	13.8
155.08562	15.2
155.10667	14.6
156.09291	15.5
157.10071	46.2
158.10626	5.6
159.08043	17.9
159.11661	38.8
160.08813	71.8
161.09583	13.3
163.11156	19.8
165.09085	44.7
167.08464	7.0
168.09305	7.1
169.10121	21.1
170.10732	7.6
171.11609	30.9
172.12469	11.5
173.09627	7.5
173.13235	18.1
175.11203	17.1
179.14296	8.3
181.10054	9.0
181.12192	36.4
183.11649	16.6
184.12302	8.4
185.09627	6.6
185.13277	14.9
187.11104	9.8
189.12688	7.7
190.13374	8.4
193.10066	11.3
193.12123	7.0
195.11682	19.5
196.12407	6.5
197.13235	19.7
199.11011	7.6
199.14716	7.4
201.12766	7.8
203.14352	18.1
207.11693	9.6
207.13707	10.0
208.14543	8.3
209.13202	16.4
211.14822	14.1
219.13747	9.8
221.15306	100.0
222.15671	17.2
223.14690	12.1
224.15324	7.8
227.14404	9.2
233.15370	9.5
234.16109	23.1
239.14012	6.9
247.16888	17.9
253.15834	7.5
274.19437	11.4
286.19284	35.5
287.20016	8.3
299.20038	32.0
312.20828	11.3
313.21597	8.5
325.21729	17.0
352.23938	43.2
365.24521	12.4
415.25214	11.4
420.30090	6.5
440.29153	35.1
508.35486	8.2
520.35382	49.6
600.41449	57.0
600.55652	13.3
601.41998	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	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15887	2.1
51.73762	1.6
53.03932	3.5
55.05506	18.5
57.07061	14.0
57.90795	2.2
59.04985	5.9
67.05495	32.1
68.66441	2.5
69.03418	18.6
69.07058	18.9
71.04980	4.9
71.66865	3.1
71.67203	2.3
77.03912	2.3
78.04681	2.3
79.05481	30.7
81.07044	38.6
83.04971	16.2
83.08618	13.8
85.06538	6.6
87.04449	3.8
91.05470	55.5
92.05798	2.7
93.06461	4.5
93.07033	64.2
95.04960	30.3
95.08597	40.3
95.09167	3.9
97.06515	20.6
103.05452	5.6
105.07018	100.0
106.07304	3.0
107.04928	5.8
107.08582	68.9
108.08883	2.3
109.06499	23.6
109.10139	22.9
111.08102	4.0
113.09652	4.1
115.05428	7.4
117.07000	23.6
119.04962	2.1
119.08571	89.6
120.08865	2.7
121.06475	18.0
121.10133	56.9
122.10519	3.6
123.08041	32.7
123.11689	8.6
125.05979	4.6
125.09609	10.9
128.06206	16.8
129.06987	23.3
130.07823	13.1
131.08545	49.9
132.09259	2.3
133.06483	6.9
133.10112	50.0
135.08041	23.4
135.11676	14.5
137.05936	3.1
137.09621	13.9
139.07506	3.8
139.11163	7.1
140.43556	2.0
141.06969	11.2
142.07761	32.1
143.08536	56.1
144.09361	14.7
145.06471	4.4
145.10104	68.7
146.10504	4.2
147.08028	36.9
147.11658	20.8
148.08832	3.1
149.09586	21.9
151.07510	20.1
151.11180	4.0
153.07014	4.5
154.07756	4.1
155.08531	18.7
155.10657	7.1
156.09319	26.1
157.10112	79.2
158.07234	2.3
158.10896	13.0
159.08038	21.8
159.11684	46.3
160.08676	5.7
161.09598	23.8
161.13220	8.5
163.07474	2.2
163.11169	19.4
164.11768	2.3
165.06976	8.5
165.09091	38.0
166.07774	3.6
167.08557	12.1
167.10648	25.6
168.09320	6.8
168.10936	4.3
169.10104	35.8
170.10863	14.0
171.08061	3.8
171.11664	42.6
172.12383	7.1
173.09647	15.1
173.13268	16.8
174.10326	2.7
175.11153	25.8
175.14832	7.7
176.11589	2.2
176.48006	2.1
177.09134	4.3
177.12685	4.6
179.08563	11.5
179.10600	2.4
180.09361	8.0
181.10179	15.1
181.12189	18.2
182.10919	12.3
182.12334	3.4
183.11684	33.7
184.12338	7.4
185.09563	6.1
185.13245	30.0
186.13939	4.1
187.11176	9.7
187.14810	9.5
189.12714	13.4
190.13531	13.2
191.14258	7.9
192.09303	4.8
193.10120	17.0
193.12241	10.5
194.10880	11.7
195.11691	33.1
195.13492	4.4
196.12379	8.7
197.09592	3.5
197.11623	4.3
197.13228	24.5
198.10422	2.6
198.13876	3.5
199.11154	10.8
199.14795	11.3
200.12042	2.2
201.12766	8.1
203.14288	21.7
205.10118	2.7
206.10918	6.4
206.12788	2.8
207.11665	15.9
207.13802	15.5
208.12416	9.1
208.14462	5.8
209.09717	2.9
209.13258	24.4
209.15132	3.4
210.10458	2.2
210.13940	7.1
211.11209	6.1
211.14774	16.1
212.11830	3.9
212.15459	6.2
213.12726	12.5
213.16309	5.1
214.13445	3.8
215.10742	2.9
215.14311	6.5
216.15015	3.9
217.10071	3.2
217.12108	2.9
217.15813	5.4
218.10860	2.8
218.16528	2.9
219.11673	5.9
219.13776	4.1
220.12335	5.2
221.13242	15.7
221.15294	88.4
222.13853	3.3
222.15704	12.2
223.11313	2.5
223.14751	18.3
224.11914	3.6
225.12781	7.2
225.16353	9.6
227.14264	4.7
227.17929	2.2
229.15794	3.5
230.12885	3.2
231.11681	4.6
231.13834	2.7
232.12363	4.3
233.13200	8.2
233.15373	29.3
234.16136	10.1
235.14912	14.0
235.16820	3.3
237.12656	4.1
237.14845	28.4
237.16837	4.0
239.14336	7.3
239.17970	3.3
241.15858	5.3
243.13852	5.0
243.17389	3.0
246.13908	4.1
247.14735	5.6
247.16954	11.8
248.11928	2.4
248.13766	10.5
249.16454	10.2
251.14056	2.9
251.18097	4.3
253.15836	5.6
253.19518	2.8
255.17387	31.5
257.19058	3.0
259.14594	4.9
259.17020	4.5
260.15530	3.4
261.16345	11.2
263.17844	6.9
265.15869	4.2
265.19559	3.2
267.17319	5.6
268.18307	4.2
269.19031	6.1
270.19681	10.6
271.16940	6.4
272.15381	2.3
273.18631	4.8
274.19293	8.6
275.17676	3.0
277.15976	2.4
277.19409	5.2
279.17331	5.6
281.18936	7.9
282.19400	3.1
283.20444	4.5
285.18472	8.2
286.19409	11.7
287.20108	13.3
289.19388	3.2
291.21115	3.1
293.18933	2.7
294.19656	6.4
295.20621	4.9
297.18576	3.7
297.21674	3.6
299.20230	15.7
300.20657	4.2
303.19504	47.3
311.19986	4.4
312.20721	6.7
313.21652	16.1
315.21036	4.1
319.20654	4.6
325.21634	13.6
333.22025	3.4
337.21472	6.2
347.23502	4.0
352.23923	87.4
353.24374	6.1
365.24689	18.0
366.25073	3.1
377.24585	5.2
378.25397	4.1
383.25833	8.2
419.29572	2.4
420.30118	3.3
457.31042	2.6
487.31787	4.0
502.34335	8.5
503.35007	9.0
505.32809	4.8
507.34586	10.6
508.35220	12.1
520.35468	47.8
521.35822	3.9
567.38379	3.8
582.40039	4.6
583.41083	4.9
585.39697	2.4
600.41449	50.0
601.41998	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01868	4.4
55.05518	23.1
55.05739	5.1
57.07068	18.9
67.05205	4.3
67.05499	35.8
68.19485	3.5
69.03401	9.3
69.07062	23.8
69.38814	19.2
69.39240	24.6
71.04981	5.3
71.86753	3.7
72.05064	3.6
79.05487	30.6
81.07040	59.3
83.04962	13.3
83.08623	25.4
85.06512	12.7
85.37711	3.6
87.04437	3.9
89.06038	19.0
89.06530	3.8
91.05486	56.0
92.06288	3.6
93.07034	60.4
95.04943	18.5
95.08600	48.4
97.06512	13.0
98.06801	4.8
103.05415	5.5
105.07023	91.0
107.08588	50.9
109.06487	15.5
109.10143	30.3
111.08087	5.7
117.07009	24.4
119.08569	100.0
121.06500	11.0
121.10130	40.3
123.08036	32.6
123.11684	9.1
125.05965	11.8
125.09669	5.0
125.92381	3.8
128.06218	9.1
129.06993	17.8
129.09085	4.2
130.07764	8.8
131.08574	42.7
132.09372	5.0
133.06456	4.6
133.08580	9.0
133.10109	41.0
135.08041	21.4
135.11664	14.5
137.09572	13.4
139.11172	4.8
141.06950	8.8
142.07753	12.2
143.08536	52.6
144.09273	12.4
145.06482	8.8
145.10114	66.2
147.08018	31.0
147.11646	21.7
149.09567	21.5
149.13220	4.8
151.07515	15.0
151.11165	4.9
155.08519	17.6
155.10635	5.1
156.09323	17.1
157.10126	53.5
158.10896	8.8
159.08037	19.2
159.11659	32.8
160.08842	23.1
161.09598	15.5
161.13249	13.5
163.11154	24.3
165.06992	5.0
165.09091	41.2
165.12740	5.0
166.07788	4.7
167.08557	10.7
168.09259	7.5
169.10129	30.9
170.10880	11.7
171.11665	37.3
172.12483	7.3
173.09584	10.7
173.13211	20.2
175.11166	22.4
175.14738	8.0
177.09050	5.1
177.11267	5.6
177.12738	4.9
179.08585	8.6
180.09286	5.3
181.10107	13.8
181.12195	17.7
182.10783	7.0
183.11703	30.4
184.12361	8.0
185.13281	23.6
186.10429	4.7
187.11197	5.6
187.14748	8.7
189.12663	10.7
190.13512	10.7
191.10588	7.6
193.10167	9.1
193.12228	13.8
194.10818	6.4
195.11699	19.0
196.12381	5.6
197.13220	29.6
199.11153	5.2
199.14709	9.3
201.12700	9.3
201.16418	6.3
203.14265	24.8
207.11687	11.8
207.13820	12.1
208.12573	8.1
208.14484	9.2
209.13239	20.8
209.15221	7.2
210.13954	6.4
211.11232	8.8
211.14804	16.5
213.12672	9.1
213.16252	8.2
215.14255	6.3
219.13763	6.7
221.13240	15.5
221.15315	95.4
222.15790	6.2
223.14778	12.7
225.12709	5.3
225.16347	12.0
227.14244	5.1
229.15709	4.5
233.13315	6.6
233.15437	9.4
234.16121	20.9
235.14833	9.9
237.12686	5.6
237.16542	5.6
238.17621	4.0
239.14223	6.5
247.14726	6.0
247.16925	23.5
249.16422	9.0
251.14320	5.2
251.17880	5.9
253.15862	5.1
253.19594	3.9
253.60101	3.8
263.17999	5.4
267.17313	4.2
274.19205	16.4
279.17224	6.1
285.18567	4.7
286.19125	11.3
287.19958	11.7
299.20090	23.3
312.20642	14.0
313.21637	6.7
325.21591	23.0
339.22940	4.0
340.24063	10.4
352.23895	40.9
353.24686	4.4
365.24493	8.0
366.25024	4.2
391.26337	4.3
409.83698	4.8
415.25311	7.3
419.29343	5.7
427.28317	14.8
440.29260	46.3
507.34528	5.4
508.35150	6.4
520.35413	52.3
552.99200	4.1
585.39709	4.3
600.41205	41.8
600.50366	20.0
601.41583	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05508	8.3
57.07064	11.9
57.49186	1.0
59.04987	3.5
65.94485	1.2
67.05504	10.9
69.03408	9.0
69.07069	7.9
69.57654	6.2
69.58080	4.5
79.05472	12.1
81.03435	1.6
81.07043	22.5
82.07334	1.7
82.28399	1.2
83.04977	6.8
83.08602	4.5
85.06529	5.4
89.06022	3.8
91.05471	23.8
92.06248	3.0
93.07034	31.4
95.04942	8.4
95.08596	20.7
97.06517	6.6
98.20706	2.8
103.05443	1.1
103.28700	1.1
105.07015	47.3
107.04944	2.3
107.08584	20.8
109.06504	11.5
109.10145	8.2
111.08054	2.9
113.09602	1.3
115.05467	1.8
117.07006	12.4
119.04914	1.8
119.08568	50.5
120.09396	1.3
121.06487	7.2
121.10125	22.8
122.07278	1.7
123.04403	1.6
123.08056	20.8
123.11709	2.5
125.05976	11.4
125.09628	1.7
128.06203	4.1
129.07002	7.6
130.07732	2.7
131.08565	23.1
132.09303	2.4
133.06470	3.9
133.08582	3.9
133.10110	25.4
135.08023	18.7
135.11691	6.1
136.08810	2.2
137.05977	1.5
137.09604	14.2
139.07500	2.2
141.06978	3.2
142.07733	9.9
143.08533	17.6
144.09343	6.9
145.06447	1.7
145.10098	36.4
146.10690	1.3
147.08026	26.6
147.11665	8.2
148.08565	1.6
149.09592	11.0
149.13242	2.3
151.07515	11.3
151.11188	2.5
155.08556	8.4
156.09357	10.2
157.10104	31.7
158.10812	5.1
159.08064	6.7
159.11679	21.9
159.12988	1.7
160.12302	2.3
161.09622	9.4
161.13200	6.9
162.10347	1.4
163.11143	20.5
164.11821	1.4
165.06987	2.7
165.09088	45.6
166.09410	3.7
167.08537	3.2
168.09334	2.9
169.10120	13.3
170.10831	5.2
171.08070	3.2
171.11684	13.7
172.12366	3.7
173.09602	7.7
173.13235	8.9
175.11157	19.2
175.14789	2.1
176.11925	1.5
177.09047	4.2
177.12688	2.0
178.09926	2.0
179.08510	3.0
179.10675	1.8
180.09218	1.6
180.11418	3.0
181.10117	6.1
181.12221	18.8
182.10864	4.1
183.11688	13.6
184.12263	3.0
185.09618	4.2
185.13280	10.3
186.10362	1.7
187.11180	5.9
187.14786	3.1
189.12674	6.7
190.13484	8.1
191.10638	4.4
191.14268	2.4
193.10268	2.5
193.12209	12.1
194.10919	3.4
195.11658	10.5
195.13562	2.8
196.12332	3.8
197.09607	2.0
197.13240	11.1
199.11179	4.3
199.14824	2.8
200.11952	1.6
201.12761	5.3
203.14308	18.6
204.14706	2.4
205.12204	2.5
206.10947	1.6
207.11678	5.0
207.13800	10.8
208.12679	2.3
208.14519	9.7
209.13235	7.5
209.15068	2.0
210.13850	2.6
211.11229	4.7
211.14763	7.2
212.11960	1.8
212.15410	2.3
213.12703	4.7
213.16403	2.0
215.10777	1.8
215.14304	2.7
216.14909	1.9
217.15744	1.8
219.11710	2.8
219.13783	6.1
220.12379	2.4
221.13385	5.0
221.15327	100.0
222.13742	2.2
222.15660	11.4
223.11136	2.9
223.14792	4.4
225.12712	4.0
225.16267	3.7
227.14288	2.7
229.12256	2.3
229.15846	3.3
231.13759	2.1
233.13222	2.6
233.15318	3.7
234.13962	1.7
234.16122	20.1
235.14742	3.2
235.16858	2.0
237.12729	3.0
237.16257	1.5
239.14273	2.1
239.17984	1.3
240.18660	2.0
241.15710	2.5
243.13715	2.1
245.15369	2.7
246.13756	1.5
247.14503	2.2
247.16914	26.7
248.17520	4.2
249.16388	2.3
251.14207	2.9
251.17946	1.6
253.15753	1.8
259.16913	4.0
261.16205	1.9
263.18066	2.0
265.15704	1.6
267.17432	1.9
269.15448	1.7
271.16922	2.5
272.17603	1.7
273.18454	2.6
274.19263	14.1
279.17606	2.4
281.18979	3.4
283.16995	1.8
284.17673	1.4
285.18549	3.4
286.19348	4.2
287.20001	10.9
297.18411	2.6
298.19257	2.9
299.20020	16.7
300.20682	4.8
307.20435	1.9
309.18265	1.9
310.19321	2.1
311.20050	5.6
312.20721	11.5
313.21692	6.5
325.21564	14.5
326.22290	2.8
327.23203	2.1
337.21567	3.4
339.23053	8.7
340.23911	20.8
352.23904	32.6
365.24640	6.2
366.25439	5.7
377.24643	3.3
379.26233	3.6
387.25366	4.2
391.26233	5.4
392.26782	4.3
400.26028	1.5
413.26862	5.3
415.25049	2.5
419.29388	8.1
420.30002	4.6
425.26648	7.6
426.27512	4.7
427.28378	15.4
428.28589	1.7
440.29169	52.5
441.29520	2.1
442.31003	2.2
454.30396	2.1
491.34329	1.4
507.34418	3.9
508.35049	6.3
520.35406	42.9
521.35883	3.9
582.40717	2.0
585.39020	4.0
600.41388	36.8
600.50482	5.4
601.41797	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	600.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08549	1.8
53.03923	4.1
55.05502	13.8
57.07065	14.4
59.04982	3.5
63.33978	1.6
65.03918	2.5
67.05487	20.2
69.03416	12.7
69.07062	11.1
69.97344	4.8
69.97757	7.0
71.04968	3.2
77.03947	1.8
79.05478	19.7
80.05816	1.7
80.06242	2.4
81.07043	33.2
83.04978	9.8
83.08607	8.3
85.06522	8.5
85.10203	1.9
87.04438	1.8
89.06010	5.7
89.17973	1.7
91.05467	31.3
93.07027	46.7
94.07335	3.0
95.04958	14.7
95.08598	31.9
95.76704	1.6
96.08887	2.2
97.06518	16.5
105.07013	64.1
107.04940	4.1
107.07860	2.5
107.08578	42.5
107.10613	2.0
108.08913	2.9
108.40162	1.7
109.06505	15.0
109.10128	16.0
110.10361	2.2
111.08057	4.1
113.09644	4.7
115.05418	5.0
117.07006	15.7
118.26213	1.7
119.08566	71.1
120.08865	2.3
121.06478	7.9
121.10125	31.6
122.07264	2.3
123.04411	2.4
123.08053	31.9
123.11678	3.1
124.08362	2.8
125.05965	8.5
125.09604	4.5
128.06183	8.1
129.06978	17.9
130.07790	4.6
131.08545	32.9
132.09258	3.2
133.06444	4.8
133.08557	3.9
133.10117	31.3
134.10814	2.1
135.08029	20.6
135.11661	7.4
137.05991	2.8
137.09592	17.0
139.07497	3.1
139.11179	4.3
141.06950	5.9
142.07755	15.8
143.08527	31.0
144.09341	9.4
145.06439	4.7
145.10103	61.4
146.07213	1.8
146.10495	5.4
147.08040	32.6
147.11687	11.4
148.08475	2.5
149.09615	10.9
151.07529	14.0
151.11172	2.1
153.06902	3.4
153.09012	2.3
154.07771	2.7
155.08582	16.3
155.10622	9.3
156.09311	16.9
157.10106	58.8
158.10893	11.6
159.08034	10.9
159.11673	34.3
160.08783	4.5
160.12056	3.3
161.09616	14.6
161.13226	5.8
162.10202	2.3
162.13426	2.1
163.07558	2.3
163.11143	19.0
165.06931	4.8
165.09087	45.1
166.07735	2.5
166.09441	5.2
167.08542	7.6
168.09358	3.1
169.10071	21.9
170.10966	8.5
171.11676	31.4
172.12376	7.5
173.09593	8.1
173.13202	12.8
174.10278	2.2
175.11124	19.9
175.14757	3.1
177.09024	4.0
177.11256	2.5
177.12715	3.8
179.08539	6.8
179.10637	2.2
180.09270	5.1
180.11433	3.6
181.10164	13.5
181.12170	21.2
182.10854	8.9
182.12453	3.4
183.08093	1.9
183.11664	21.0
184.12296	5.8
185.09613	4.4
185.13261	15.2
186.13841	2.0
187.11139	7.3
187.14774	5.8
188.11736	2.3
189.12682	9.1
190.13506	7.9
191.08585	1.8
191.10620	5.8
192.09337	3.2
193.10100	10.4
193.12035	11.7
194.10857	5.3
195.11644	17.8
195.13562	4.6
196.12296	6.1
197.13260	17.3
198.10387	2.3
198.13870	2.7
199.11140	5.3
199.14738	6.4
201.12677	9.2
203.14279	21.3
204.14706	3.0
205.10048	2.3
206.10835	6.0
207.11618	12.9
207.13753	12.3
208.12329	5.0
208.14516	11.6
209.13229	14.9
209.15132	3.5
210.13896	5.7
211.14665	10.4
212.15494	2.5
213.12709	7.4
213.16286	3.6
215.14293	5.1
219.13763	5.9
219.98004	1.9
220.14404	3.0
221.13231	8.8
221.15311	91.6
222.13823	3.7
222.15695	11.9
223.14827	10.4
224.15456	3.5
225.12617	4.8
225.16316	5.2
227.14244	2.8
229.12170	2.6
229.15926	3.4
231.13754	3.6
233.13130	4.2
233.15285	5.4
234.16075	20.1
235.14705	6.4
237.12694	5.3
237.16341	3.4
239.14223	4.1
243.82500	1.8
245.13135	2.9
247.16933	17.0
249.16289	4.3
250.16728	2.5
251.14333	2.8
251.17804	2.9
253.15834	3.8
255.17307	2.6
259.14502	2.7
259.17068	4.0
261.16196	2.7
261.18576	4.4
262.19351	3.6
263.17789	3.4
267.17386	2.5
271.16870	4.4
273.18567	4.4
274.19263	10.5
279.17575	2.2
281.18771	5.1
285.18530	3.6
286.19162	3.1
287.20081	11.8
291.17172	2.9
291.20782	2.2
297.18307	2.4
298.19235	2.4
299.20056	14.4
300.20459	5.1
310.19254	2.4
311.19998	6.2
312.20685	5.6
313.21506	6.6
325.21631	12.2
326.22018	4.5
337.21497	8.2
339.23270	3.4
340.23813	3.7
352.23917	80.8
353.24121	3.7
365.24725	14.3
366.25177	3.1
386.24222	2.2
391.26224	6.2
392.26794	2.2
414.27515	2.4
420.29977	6.5
425.26584	5.0
440.29056	6.9
454.30417	6.0
505.32669	3.1
507.34775	16.5
508.35287	12.0
520.35400	100.0
521.35645	4.9
582.40448	2.8
585.39233	5.0
600.41510	39.2
600.50177	3.1
601.41730	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.9
53.03928	5.8
53.75135	2.4
55.01834	3.5
55.05504	18.2
57.07068	14.6
57.39912	2.3
59.04996	5.2
60.90354	2.3
65.03929	5.8
67.05492	32.8
69.03421	17.7
69.07066	16.9
69.72512	20.8
71.04989	4.5
79.05481	30.1
81.07046	46.4
83.04970	18.8
83.08604	13.0
85.06522	7.5
91.05469	55.6
92.06288	3.0
93.06462	4.9
93.07032	74.7
94.07854	3.8
95.04948	29.0
95.08592	42.0
97.06503	17.4
102.51242	2.6
103.05427	4.9
105.07018	97.3
106.07861	3.3
107.04960	5.9
107.08569	61.2
109.06496	23.8
109.10131	23.9
111.08054	7.7
113.09650	3.8
115.05432	6.6
117.06995	25.1
119.04926	4.8
119.08561	93.8
120.09374	3.8
121.06473	17.2
121.10122	61.1
123.08042	33.0
123.11723	5.3
125.05922	4.0
125.09611	10.7
128.06187	18.3
129.06964	26.6
130.07776	13.1
131.08534	47.3
132.09308	5.5
133.06471	8.3
133.10120	56.2
135.08040	27.7
135.11674	16.2
137.09584	16.9
139.07547	3.2
139.11140	3.9
141.06958	16.2
142.07770	28.5
143.08539	60.1
144.09332	15.8
145.06491	3.6
145.10106	73.3
146.07285	3.1
146.10638	3.9
147.08023	37.3
147.11644	19.7
149.09602	23.0
151.07518	17.7
151.11179	4.3
153.06970	8.5
153.09076	4.5
155.08507	23.4
155.10623	6.1
156.09348	23.0
157.10101	87.9
158.10927	14.7
158.72246	2.6
159.08084	21.9
159.11674	43.5
160.08768	8.1
160.12334	3.6
161.09605	26.4
161.13240	11.4
162.10347	2.8
163.11151	18.8
165.06940	7.1
165.09081	45.9
166.07784	4.6
166.09409	3.1
167.08554	8.7
167.10680	18.4
168.09273	8.7
169.10106	35.2
170.10861	22.2
171.07997	6.6
171.11662	47.4
172.08878	3.5
172.12445	10.7
173.09584	12.3
173.13217	24.1
174.10345	3.9
175.11151	29.4
175.14760	5.4
177.09061	3.7
177.12717	7.1
179.08553	9.2
179.10565	3.7
180.09264	8.9
180.11469	2.8
181.10104	20.1
181.12224	11.7
182.10858	11.1
183.11665	31.1
184.12366	4.8
185.09660	3.8
185.13234	22.6
187.11211	12.2
187.14806	9.6
188.11905	3.8
189.12720	16.6
190.13405	10.3
191.10841	3.1
191.14278	7.1
192.09375	3.6
193.10112	18.2
193.12093	6.5
194.10931	13.4
195.11708	34.4
195.13629	4.5
196.12410	10.1
197.09537	8.3
197.13208	26.4
198.13818	4.8
199.11153	9.6
199.14836	11.9
201.12746	11.8
201.16402	4.6
203.14264	29.8
205.10176	5.9
205.12265	5.0
206.10907	6.4
207.11652	17.8
207.13777	15.4
208.12383	11.7
208.14505	10.7
209.13232	26.1
209.15157	5.3
210.13820	7.3
211.11145	9.7
211.14781	18.6
212.15506	4.0
213.12628	13.1
213.16295	4.1
214.13515	3.0
215.14233	7.8
216.15131	2.9
217.12210	3.5
217.15784	4.3
219.11656	7.1
220.12431	8.5
221.13242	18.5
221.15300	100.0
222.13795	4.6
222.15688	9.3
223.11136	4.1
223.14787	18.1
224.15482	4.8
225.12720	12.7
225.16309	7.0
227.14252	8.9
229.12213	3.6
230.13026	3.0
231.11676	6.1
232.12343	3.8
233.13173	8.3
233.15355	29.0
234.13939	4.6
234.16103	10.8
235.14873	12.6
235.16840	5.1
236.15573	3.4
237.12714	5.0
237.14590	28.6
239.14297	5.0
239.17975	5.9
241.15880	6.1
243.13786	4.8
245.13258	4.1
246.13954	8.1
247.14752	7.7
247.16971	11.3
248.14093	10.8
249.16394	8.4
250.15610	3.5
251.14165	3.5
251.18114	4.5
253.15849	3.7
255.17398	30.1
258.13953	3.5
259.14703	4.8
261.16360	9.7
263.18094	4.6
265.16006	4.4
265.19409	5.1
267.17355	5.9
269.19003	4.8
270.19672	10.8
271.16968	8.5
273.18622	5.1
274.19229	11.9
275.17776	3.2
277.15787	4.2
277.19272	3.4
279.17435	8.7
281.19073	8.2
283.17136	3.1
283.20395	4.3
285.18637	5.8
286.19272	14.2
287.20062	9.7
291.17413	3.5
291.21027	5.9
294.19836	6.2
295.17105	2.9
295.20471	6.9
297.18546	5.1
299.20151	15.1
303.19495	50.0
311.20068	4.6
312.20694	8.0
313.21527	17.2
319.20438	4.5
325.21805	14.0
333.22177	3.6
337.21484	8.2
345.22235	3.3
348.24683	3.1
352.23926	89.8
353.24475	3.6
365.24612	21.0
377.24774	6.0
383.20761	3.0
383.25662	6.5
454.30756	3.8
487.31723	3.5
502.34174	11.4
503.34897	7.5
505.32758	6.3
507.34421	10.9
508.34781	7.0
520.35547	48.1
520.43042	5.6
521.35223	3.8
582.40741	4.4
583.41229	3.0
585.39117	4.0
600.41364	43.8
601.41156	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
54.77243	2.1
55.01859	4.0
55.05502	22.8
57.07061	8.7
59.04981	2.3
65.03928	7.1
67.05173	3.4
67.05497	37.7
69.03416	15.3
69.07060	22.3
70.07370	2.6
70.84869	6.7
71.04977	8.3
79.05483	29.8
80.06264	2.8
81.07043	44.2
83.04963	28.1
83.08607	18.4
85.06525	9.4
87.04449	7.1
89.05994	3.4
90.61860	1.9
91.05470	60.9
93.07032	71.1
94.07347	3.1
95.04956	30.6
95.08593	34.6
97.06522	21.5
103.05462	4.8
105.07018	100.0
107.04920	5.4
107.07868	4.8
107.08583	76.3
109.06519	23.7
109.10139	39.1
111.04362	2.4
111.08052	8.0
113.09637	8.4
115.05435	6.8
117.07008	29.5
119.04916	3.1
119.08569	84.7
120.09344	2.6
121.06477	14.3
121.10127	72.2
123.08042	42.8
123.11679	10.8
125.09628	15.7
128.06221	16.0
129.06990	25.6
130.07765	10.0
131.08545	50.3
132.09348	3.6
133.06476	6.1
133.10104	55.7
135.08032	20.1
135.11690	14.1
137.09599	15.4
139.11130	11.7
140.11539	2.5
141.06990	11.4
142.07756	31.2
143.08539	56.7
144.09326	11.5
144.54585	2.5
145.06425	7.0
145.10100	79.7
145.60376	2.4
146.10799	4.5
147.08041	16.3
147.11682	23.5
149.09576	23.9
151.07487	12.5
153.06976	6.5
153.09116	2.2
154.07802	6.7
155.08548	25.8
155.10638	20.6
156.09352	31.2
157.10109	89.3
158.07329	2.7
158.10930	13.6
159.08020	25.0
159.11667	51.8
160.08759	7.0
160.12248	3.1
161.09583	22.0
161.13229	9.3
163.11142	10.8
165.06978	12.2
165.09108	8.5
166.07745	5.0
167.08513	13.2
167.10641	29.6
168.09312	7.6
168.10924	3.2
169.10121	46.9
170.10939	14.3
171.08022	6.1
171.11673	51.7
172.08849	2.4
172.12398	8.1
173.09608	14.2
173.13246	31.5
174.10429	2.6
175.11180	18.3
175.14848	8.4
176.11824	2.7
177.12709	3.8
178.07756	4.3
179.08516	15.9
179.10732	3.9
179.14259	3.5
180.09302	7.7
181.10100	24.9
181.12209	9.0
182.10938	12.7
183.11659	35.5
184.12437	6.6
185.09628	7.4
185.13260	26.2
186.10335	2.7
186.13924	5.5
187.11099	10.8
187.14748	12.7
189.12733	13.6
190.13474	7.1
191.08650	3.0
191.14211	7.0
192.09253	4.9
193.10100	17.3
193.11967	2.9
194.10901	14.1
195.11674	37.0
196.12440	14.6
197.09569	5.0
197.13242	32.2
198.13875	4.5
199.11140	11.8
199.14833	20.0
200.11838	2.7
201.12712	9.8
201.16415	3.5
203.14319	16.8
205.10117	5.5
206.10869	8.5
207.11673	21.6
207.13760	6.0
208.12422	10.7
209.13231	37.0
209.15141	4.7
210.13873	9.4
211.11140	6.8
211.14824	24.0
213.12704	12.1
213.16385	8.2
215.14281	12.8
217.10010	2.9
217.15854	7.3
218.10902	3.5
218.16570	7.1
219.11668	8.8
219.13646	3.1
220.12477	4.2
221.13222	13.8
221.15352	27.5
222.13905	4.7
223.14796	23.8
224.15482	2.8
225.12729	9.5
225.16420	12.1
227.14240	10.5
227.17958	3.3
229.15779	6.0
231.11612	6.6
231.17494	4.0
232.12427	3.9
233.13176	8.5
233.15343	33.1
234.13919	4.9
234.16057	11.7
235.14700	15.7
237.12639	4.7
237.16447	17.4
239.14420	6.1
239.17905	3.4
241.15842	7.2
243.11678	3.2
243.13933	3.3
243.17342	3.2
245.13115	6.8
245.15359	3.7
246.13924	4.0
246.16145	6.1
247.14760	12.3
247.17020	6.8
248.15555	4.9
249.16353	15.3
250.13327	2.4
251.14189	3.9
251.17990	10.0
253.15836	6.7
253.19603	2.3
255.17395	46.9
259.14703	5.5
260.15482	3.5
261.16458	12.3
263.17932	12.5
265.15613	2.5
265.19464	6.4
267.17477	5.5
268.18213	5.1
269.18979	12.1
270.19684	6.6
271.16977	2.8
273.16086	5.5
273.18726	5.1
275.17648	4.2
277.19449	5.1
279.17389	5.3
281.18942	8.7
282.19614	5.4
283.20538	4.4
285.18500	8.3
286.19183	6.4
287.20029	7.9
289.19543	4.2
290.20038	3.1
294.19882	2.9
295.20575	9.3
297.18680	4.5
299.20410	11.3
300.20657	2.8
301.21906	3.5
307.20514	4.1
311.20178	5.3
312.20667	2.7
317.22546	2.5
319.24030	2.9
321.21985	3.1
333.22177	3.1
335.23630	2.9
339.21002	3.0
345.21872	4.8
347.23660	5.6
349.25259	3.1
360.24530	2.8
365.24533	10.5
373.25912	2.6
377.24429	3.7
383.25674	13.3
384.26428	2.9
490.34100	3.8
549.37012	2.6
567.38129	4.7
582.40234	5.4
600.41760	27.7
601.42346	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.4
55.01876	4.0
55.05507	23.3
57.07068	37.1
59.04990	5.9
65.03928	6.3
67.05501	34.5
69.03424	13.0
69.07051	20.1
70.27718	14.6
71.04972	5.7
71.08624	19.1
77.03894	2.9
79.05473	28.8
81.07043	43.5
83.04948	15.4
83.08601	23.4
85.06524	6.5
85.10155	11.4
87.04433	5.7
89.06013	45.6
91.05466	53.1
93.06475	5.3
93.07028	68.7
95.04964	27.4
95.08590	38.0
97.06505	22.6
97.10142	2.8
97.60824	2.5
98.20797	3.6
103.05489	4.0
104.56096	2.6
105.07021	100.0
107.04974	3.5
107.08585	68.4
109.06492	22.9
109.10143	33.0
109.39551	2.4
111.08057	8.9
113.06072	4.2
113.09621	7.0
115.05463	6.1
115.77449	2.4
116.06242	3.9
117.07002	27.3
119.08565	78.3
120.08801	3.2
121.06499	13.6
121.10124	50.9
123.08049	37.5
123.11670	5.3
125.09607	14.4
128.06238	13.5
129.06979	24.6
130.07759	9.9
131.08549	49.5
133.06483	4.6
133.08598	27.6
133.10109	51.9
135.08025	17.3
135.11708	20.3
137.09586	11.5
139.11154	6.4
141.06969	8.2
142.07785	26.6
143.08554	53.9
143.10625	4.3
144.09366	14.9
145.06427	3.6
145.10107	68.8
146.07224	3.8
146.10555	4.1
147.08061	15.2
147.11697	19.7
149.09608	20.2
151.07503	7.7
151.11104	3.9
153.06932	6.0
153.09161	3.9
154.07736	6.4
155.08522	18.7
155.10582	18.2
156.09351	23.2
157.10110	78.7
158.10783	8.2
159.08051	23.3
159.11668	48.8
160.08755	6.4
161.09633	24.5
161.13234	7.9
163.11165	11.2
165.06990	5.6
165.09039	6.9
166.07779	7.4
167.08504	11.9
167.10681	21.2
168.09251	10.6
168.10698	2.6
169.10121	40.1
170.10847	9.8
171.11668	50.3
172.12318	7.8
173.09589	11.8
173.13229	27.7
175.11145	18.1
175.14764	8.0
176.11653	3.3
177.11206	11.1
177.12619	4.3
179.08557	14.8
179.10564	2.8
180.09309	6.7
181.10089	24.2
181.12154	9.3
182.10841	11.1
182.12349	3.4
183.11658	33.4
184.12445	7.0
185.09677	7.2
185.13269	26.8
186.13982	3.4
187.11125	9.4
187.14764	11.1
189.12697	8.9
190.13530	4.3
191.14276	7.7
192.09235	7.0
193.10074	18.2
193.11852	2.9
194.10892	10.5
195.11638	25.8
196.12344	11.2
197.09526	3.5
197.13242	35.3
198.13739	4.1
199.11166	7.5
199.14777	15.7
201.12782	6.9
203.14232	14.6
205.09959	4.4
206.10840	9.9
207.11641	23.3
207.13748	6.7
208.12431	8.9
209.13286	26.2
209.15163	6.1
210.13779	5.6
211.11188	3.5
211.14796	23.0
213.12772	11.2
213.16400	6.9
215.14214	13.5
217.15901	5.6
218.10802	5.7
218.16574	4.3
219.11719	6.8
220.12436	8.9
221.13281	18.4
221.15349	24.6
222.13869	5.7
223.14783	18.0
225.12654	9.0
225.16235	13.1
227.14256	8.2
229.15857	5.7
231.11597	3.6
231.17221	3.3
233.13196	9.2
233.15367	25.4
234.13957	4.4
234.16077	11.4
235.14795	12.4
236.15504	4.1
237.16400	17.4
239.14293	8.1
239.17888	5.1
241.15826	6.6
245.13268	6.7
246.13916	4.4
246.16214	5.1
247.14754	8.4
247.17014	4.4
248.15431	5.5
249.16295	10.4
250.16899	3.9
251.17984	5.4
253.15913	7.5
255.17395	36.9
257.18814	2.9
259.14743	5.1
260.15402	4.7
261.16360	9.7
263.17883	9.7
264.18427	4.6
265.15955	3.5
265.19485	5.4
267.17535	4.3
268.18146	3.5
269.18964	10.0
270.19681	8.6
271.20404	3.1
273.16110	6.7
273.18674	5.0
277.19388	7.2
279.17499	3.7
281.18884	10.9
283.20551	3.2
285.18457	8.1
286.19171	5.1
287.20123	5.3
289.19336	5.8
295.16324	2.8
295.20328	5.0
299.20001	8.8
300.20685	4.1
315.20963	3.6
327.20346	4.3
365.24594	9.9
371.22723	7.3
383.25821	9.3
415.25369	5.3
433.78903	3.0
520.35492	3.2
564.39642	3.0
582.40027	11.0
583.44122	6.6
600.41107	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70411	1.4
53.03934	2.2
55.01860	2.3
55.05504	32.0
56.05013	2.6
57.03409	3.4
57.07067	20.6
59.04707	2.2
59.04990	29.6
62.35135	1.6
67.05497	9.0
69.03410	6.3
69.07057	75.2
70.06573	13.2
71.04981	2.7
71.08613	3.2
71.65894	2.9
72.08138	4.1
73.02869	1.7
75.09225	1.3
79.05470	2.2
81.03391	5.6
81.07038	17.4
83.08605	100.0
84.04475	2.2
85.02894	15.2
85.06530	1.7
86.09692	76.8
87.00816	8.3
89.06019	1.6
91.05466	1.8
93.07037	2.7
94.06535	1.5
95.08585	10.6
97.02872	3.4
97.10152	25.2
99.04440	2.3
99.08075	2.0
100.53154	1.4
103.07558	4.1
104.05260	1.7
105.01860	3.9
105.06966	2.3
107.08542	2.9
109.02840	4.0
109.10162	9.4
112.24400	1.4
117.09134	9.6
119.08479	2.1
120.08064	3.5
123.11678	4.7
125.13252	10.2
127.03890	7.8
128.01831	1.4
133.10057	2.5
137.13234	1.6
138.85570	1.5
145.04947	2.8
147.04634	2.0
153.70578	1.3
159.02802	2.5
161.11714	3.0
164.07361	9.4
165.16422	2.1
165.97528	1.6
175.13216	1.9
176.07048	1.9
178.08614	2.2
179.12746	4.4
179.17949	2.5
183.11278	3.4
192.50943	1.6
193.14262	2.3
197.18977	3.1
199.18002	2.2
201.18449	2.9
215.20053	3.7
220.16838	3.2
222.18510	2.2
238.17940	5.7
239.18524	1.6
240.19521	4.5
241.21529	1.9
255.23152	6.0
256.14905	1.6
259.22638	1.9
277.15689	9.3
283.06796	1.7
297.08557	2.4
298.08603	1.8
317.26834	78.0
318.27130	2.9
324.19104	8.0
335.27869	43.3
341.07364	3.7
342.07861	2.5
409.28040	3.9
437.27338	3.5
466.08878	1.4
600.21191	7.7
600.37335	10.9
601.38416	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	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01857	1.2
55.05500	3.9
56.05022	0.8
57.03405	0.4
57.07040	0.5
58.99574	1.3
59.04990	0.6
60.41734	0.4
67.05497	7.5
68.04988	0.5
69.03397	0.5
69.07050	4.0
70.02941	0.5
70.06577	2.1
71.04981	1.0
71.75091	0.5
72.08136	0.8
73.01093	0.4
74.00674	1.9
76.02201	1.6
76.03960	0.4
79.05482	6.4
80.04995	2.1
80.39209	0.3
81.03402	0.5
81.07041	17.4
82.06572	0.7
83.04958	1.4
83.06097	1.9
83.08605	3.0
84.04495	5.0
84.08153	0.5
85.01128	0.9
85.02856	0.5
85.06534	1.1
86.00646	0.7
86.09683	0.7
88.02193	0.7
89.06017	0.8
91.05465	5.5
93.05734	0.7
93.07026	6.4
94.06562	1.2
95.04971	2.9
95.08591	9.4
95.82650	0.3
96.08120	0.6
97.01096	1.2
97.06546	0.8
97.10159	1.4
99.01408	2.8
99.05550	0.5
99.08055	0.6
100.02185	5.8
101.00616	0.4
105.07010	5.4
106.06546	0.9
107.04919	1.0
107.07380	0.5
107.08578	4.1
108.08114	1.1
109.06499	3.2
109.10145	2.8
110.09657	0.6
111.02657	1.1
111.08073	1.0
112.02176	7.0
113.00592	0.8
113.02940	1.3
113.04209	0.5
114.03734	6.5
115.05801	0.4
116.01662	1.4
117.06976	1.6
119.08569	4.0
120.08102	1.6
121.06467	1.0
121.10131	2.8
122.09661	1.0
123.08038	1.1
123.11668	1.5
125.04198	1.3
126.03754	2.3
129.06615	1.6
130.04970	1.6
131.08565	3.2
132.08080	0.9
133.10086	3.8
134.09641	0.7
135.08043	1.2
135.11653	1.5
136.03891	0.6
137.04211	1.0
137.09593	0.7
138.03708	1.5
139.03238	0.9
139.04446	0.4
139.05731	0.8
140.05263	5.7
141.06982	0.6
142.03204	0.7
143.02771	0.5
143.08542	0.5
144.01080	0.6
145.06065	1.0
145.10106	2.4
147.11626	3.1
148.48949	0.3
149.04225	0.5
149.09589	1.6
149.13237	1.2
151.05754	0.7
152.05266	1.7
153.06488	0.6
154.06853	1.8
157.10071	0.5
159.08026	0.6
159.11690	1.3
161.09608	0.5
161.13162	0.7
162.02206	1.1
163.11157	1.2
163.14803	0.8
165.12782	0.6
166.06885	0.7
168.08395	15.9
169.10078	0.5
171.11685	0.6
173.13254	2.0
175.11325	0.4
176.03682	0.5
177.07280	0.4
177.12668	0.4
179.04837	0.8
180.08344	0.5
181.06018	0.7
183.11731	0.5
185.03761	2.4
187.05316	1.0
187.11180	0.7
189.03253	0.6
191.14276	0.8
193.06143	0.5
197.13249	0.4
199.07098	0.5
202.04057	1.8
207.13867	0.8
208.16850	0.6
209.09248	0.5
209.15384	1.8
210.15016	0.4
216.05618	2.3
220.16899	0.6
222.15022	0.7
231.04242	2.8
233.05934	1.0
236.14636	1.5
236.16658	0.6
238.18079	2.2
239.18405	0.5
240.12006	0.4
241.06430	1.2
247.20677	0.5
248.16408	0.8
255.07906	2.9
257.18893	0.7
264.14148	6.3
265.14923	0.7
269.09464	2.3
270.10330	6.3
271.11087	1.7
275.20062	6.0
281.14383	1.8
282.15176	29.4
283.11078	0.6
283.15488	0.9
293.21194	1.4
307.17334	0.6
308.09061	1.3
323.16098	0.9
324.20044	0.6
332.20511	0.5
333.18839	1.9
339.17059	0.6
350.21451	9.5
351.19928	1.6
352.21814	0.4
363.30762	0.4
368.22522	12.3
378.20950	0.5
384.17090	8.7
385.17563	2.0
435.22855	0.7
453.24127	100.0
454.24371	2.6
479.25797	0.6
507.25150	0.6
513.20038	0.4
525.26208	4.6
537.26349	0.5
565.10925	0.4
582.27954	1.2
599.47351	0.9
600.29382	8.0
600.37579	0.9
600.47900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.05501	21.9
57.03406	4.2
57.07036	5.4
65.03904	4.0
67.05492	85.5
67.95081	1.7
69.07056	26.7
69.76015	15.6
71.04957	3.6
71.08575	3.8
77.65712	1.9
79.05483	35.4
80.15419	1.8
81.07039	81.1
83.08605	11.2
85.06475	2.6
89.24053	1.8
91.05457	27.4
92.27158	2.2
93.07029	41.7
93.14139	2.0
95.04914	4.8
95.08589	72.1
97.06475	5.2
97.10128	5.9
105.07011	30.9
107.08572	30.9
109.06453	3.1
109.09477	2.5
109.10138	34.0
117.06937	8.0
119.08549	26.4
120.22803	2.0
121.10114	22.2
123.11685	13.7
129.06926	2.8
131.08557	16.2
131.56064	2.1
133.10115	22.2
135.11647	15.3
137.09476	2.2
137.13187	5.2
143.08450	6.8
144.09320	2.4
145.10086	16.4
147.11684	16.5
149.13147	9.1
157.10008	7.2
159.11668	13.9
161.13156	8.9
163.11156	2.1
163.14742	6.7
169.10037	2.7
171.11557	6.5
173.13171	9.2
175.14705	5.9
184.38977	2.0
185.13274	2.9
187.14827	5.3
189.16237	2.7
199.14644	2.3
203.17960	3.3
213.16293	3.5
227.17877	2.7
247.20386	3.4
259.20404	3.4
261.21933	3.9
263.23499	6.1
264.72369	2.3
321.24030	7.7
333.23859	2.7
335.25510	7.1
337.27206	3.9
338.83102	2.4
462.51816	2.2
481.68997	2.2
507.41580	4.5
543.39734	2.7
581.44788	8.3
591.92456	2.0
596.24286	2.5
599.46600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01854	1.6
55.05264	1.2
55.05504	16.8
56.05028	0.9
57.03419	1.7
57.07063	6.3
57.98765	0.9
58.99578	14.7
59.04992	7.7
61.01134	0.7
61.71789	0.7
65.03921	0.7
66.28258	0.6
67.05492	8.3
68.48141	0.7
69.03404	2.8
69.07059	25.0
70.06579	3.5
70.98400	1.4
71.04963	2.5
71.08604	2.0
72.08138	1.1
73.01113	0.8
74.51060	0.6
76.02217	75.0
76.03989	3.1
78.52250	0.6
79.05485	6.1
81.03410	1.3
81.07045	14.5
83.04964	2.7
83.06075	1.8
83.08606	29.9
84.04493	13.7
85.02907	5.6
85.06487	0.7
86.09701	6.1
86.99014	3.5
87.00829	1.9
87.37202	0.7
88.02174	1.4
89.06023	1.0
91.05475	5.9
93.07024	8.6
95.04958	2.0
95.08588	9.3
97.02876	1.5
97.06505	2.4
97.09546	0.9
97.10159	16.3
99.04417	1.3
99.05621	0.9
99.08041	1.0
103.07539	1.0
105.01821	1.4
105.07018	8.7
107.04943	1.9
107.07078	0.9
107.08567	7.0
109.02861	1.5
109.06471	4.0
109.10154	5.9
110.07231	0.7
111.08033	0.9
111.11700	1.2
114.03744	0.8
116.00880	1.4
116.01662	22.1
117.07005	3.1
117.09097	2.2
119.08577	5.2
120.08090	1.3
121.06482	2.7
121.10108	3.7
123.08059	2.2
123.11697	3.2
125.09613	1.9
125.13263	2.1
127.03900	3.2
129.06688	1.5
130.05000	6.5
131.08537	6.0
133.06435	1.8
133.10124	7.4
135.08008	2.3
135.11659	1.8
137.09587	0.8
137.13214	1.1
141.04787	0.8
142.03201	6.7
143.08513	2.2
144.01131	12.0
145.06332	1.0
145.10083	4.8
147.08041	1.7
147.11646	4.6
149.09564	2.3
149.13232	0.9
151.11133	2.0
155.08563	0.8
156.01393	0.8
157.10168	1.5
159.08064	1.0
159.11662	2.7
161.09586	2.3
161.11794	0.8
162.02180	43.3
163.11145	1.8
169.10057	0.9
170.02676	3.3
171.11629	1.1
173.09573	1.2
173.13220	1.8
175.11082	1.0
177.12752	1.3
179.04829	100.0
179.12823	1.2
183.11664	0.7
185.13225	0.9
185.38055	0.8
187.05396	3.4
187.14766	0.7
189.11165	1.9
191.14285	1.4
201.12772	1.2
207.13866	1.9
215.04820	2.0
215.19945	0.8
219.13831	0.9
220.16853	0.9
231.04912	0.9
231.17323	0.8
233.05881	10.7
238.17896	2.0
239.18071	1.3
240.19649	1.2
245.05957	3.3
255.23183	0.9
257.18918	3.4
272.06961	0.9
273.18439	4.5
275.20026	26.5
290.08203	1.1
291.06390	2.2
291.19415	2.8
293.21082	20.5
308.09070	37.1
317.26816	26.6
335.27847	12.0
351.19244	0.9
368.22495	12.4
368.37961	0.8
378.21283	0.7
388.48312	0.7
453.24011	5.5
471.25110	3.5
525.26056	2.9
582.28577	1.1
587.51215	0.6
600.29352	14.9
600.37280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01859	11.3
55.05502	63.9
57.07058	9.2
59.04982	4.7
63.05565	2.1
65.03928	5.8
67.05500	44.6
69.03421	30.1
69.07057	23.6
69.37684	22.8
71.04970	11.4
77.03941	4.6
79.05482	37.3
81.03384	3.8
81.07039	37.2
83.04970	36.9
83.08604	72.5
85.02873	4.6
85.06542	7.6
87.04453	5.1
91.05466	61.2
93.07030	76.1
93.07623	3.8
95.04956	47.4
95.08599	61.0
97.06517	59.6
103.05489	4.5
105.07022	91.5
107.04278	2.5
107.04961	3.6
107.08580	100.0
109.06513	19.9
109.10140	37.0
111.08058	14.0
113.09626	33.0
115.05437	7.0
117.06996	23.4
119.04926	2.7
119.08564	90.7
121.06485	21.4
121.10123	83.9
123.08063	23.6
123.11684	9.0
125.09624	45.9
128.06197	13.8
129.06972	24.6
130.07762	8.6
131.08551	49.4
133.06551	2.7
133.10120	55.4
135.08035	23.8
135.10811	2.5
135.11629	13.5
137.09615	8.3
139.11165	39.4
141.06998	12.4
142.07759	31.7
143.08553	53.3
144.09320	11.6
145.06476	7.3
145.10103	63.4
147.08034	11.5
147.11674	14.6
149.09596	23.8
149.13261	4.0
151.11147	5.0
153.06976	4.9
153.12737	8.2
154.07722	3.6
155.08580	23.3
155.10620	28.4
156.09341	23.9
157.10107	80.7
158.10898	10.5
159.08037	20.6
159.11670	37.4
161.09612	21.2
161.13258	9.5
162.12527	3.4
163.11223	9.4
165.07002	7.4
165.09196	3.3
166.07800	5.0
167.08559	15.1
167.10655	85.9
167.14201	3.2
168.09354	9.3
169.10100	43.8
169.12262	4.1
170.10832	13.9
171.08102	3.9
171.11655	42.6
173.09618	11.3
173.13242	26.6
175.11176	8.4
175.14871	4.6
176.85680	2.7
177.12688	4.4
178.07867	3.9
179.08539	17.8
179.14325	11.9
180.09320	11.5
181.10143	26.6
181.12238	41.0
182.10913	10.5
183.11678	39.6
184.12428	5.9
185.09575	8.2
185.13190	20.2
187.11218	11.6
187.14717	5.5
189.12732	9.9
191.14296	9.8
192.09340	7.3
193.10123	17.5
194.10852	15.6
195.11699	33.0
195.13786	9.0
196.12427	8.7
197.13226	36.7
199.11115	8.4
199.14775	19.7
201.12759	8.6
201.16420	3.1
203.08592	3.1
203.14267	6.8
205.10155	8.4
205.15935	4.3
206.10930	9.2
207.11687	21.5
207.13622	4.6
208.12466	13.6
209.13264	55.0
209.15329	6.1
210.13954	4.7
211.11249	3.0
211.14766	21.4
213.12738	4.2
215.14299	8.4
217.10182	4.2
217.15869	16.3
218.10797	3.2
219.11705	11.7
219.13716	3.3
220.12532	8.8
221.13232	18.0
221.15396	31.1
223.14763	27.9
225.12837	3.2
225.16418	6.2
227.14275	7.2
229.10164	3.4
229.15834	5.4
231.11717	10.4
231.17358	2.8
232.12520	5.4
233.13216	12.5
233.15393	58.3
234.13927	5.0
235.14824	16.1
235.16913	4.2
237.16385	11.0
239.14392	4.1
241.15826	6.2
243.11705	3.9
243.17462	4.2
244.12451	3.7
245.13255	4.3
245.15544	5.2
246.13953	6.9
246.16199	4.7
247.14766	9.1
247.16962	8.1
249.16345	15.2
251.17961	7.0
253.15837	4.0
257.13177	5.3
259.14749	8.9
260.15485	4.2
261.16345	8.9
263.17950	7.6
265.15927	4.4
265.19608	8.2
267.17575	3.6
269.19009	9.5
271.14496	3.8
271.17081	4.0
273.16107	6.7
273.18573	9.5
274.17072	2.7
275.17847	9.9
277.19470	4.7
281.18961	3.9
283.20575	7.6
285.18677	18.0
287.20279	5.8
289.19662	5.1
295.20490	4.7
299.20200	26.0
301.21783	5.7
303.20883	3.8
307.20514	4.2
309.18668	4.0
311.20087	9.9
323.20267	3.1
325.21674	5.7
329.22504	3.5
333.22101	3.4
364.23877	6.0
365.24902	8.2
377.24805	14.4
383.25894	14.8
391.26181	3.9
395.27496	3.8
401.27042	4.4
413.28232	8.3
417.27890	7.9
431.29407	8.0
475.32315	3.8
489.34070	3.8
541.36755	3.8
563.38495	4.1
581.39569	19.8
599.40851	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2494
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03939	0.6
55.05516	0.5
60.10519	0.4
63.94342	0.4
64.61788	0.4
64.94408	0.3
65.03935	3.8
67.05481	0.7
69.03423	0.6
69.07040	0.7
70.06573	1.7
71.31487	0.6
71.31800	0.5
79.05471	2.1
81.03401	0.5
81.07040	0.5
82.06612	0.4
84.04476	0.3
86.09698	1.1
91.05477	0.6
92.04994	3.2
93.05815	0.5
94.06544	5.3
95.04977	0.4
96.08110	0.5
105.07033	0.5
106.06531	1.9
108.04472	2.2
108.08116	0.7
120.04472	0.9
120.08101	1.0
122.06031	1.9
131.08495	0.4
134.05992	5.6
136.03952	0.9
136.07556	8.1
138.05484	18.3
138.09109	7.0
144.08105	0.4
146.06012	1.4
150.05412	0.5
150.09132	0.6
154.08591	0.5
156.08105	0.7
157.10074	0.5
160.07518	0.6
162.05481	33.3
163.04932	1.8
164.07014	1.6
166.04980	12.3
167.08522	0.7
169.07625	0.6
169.08858	0.5
170.08365	0.5
170.09680	0.8
171.09177	0.5
171.10432	0.6
176.07109	0.6
178.04970	1.6
178.08537	0.5
180.06555	1.5
182.08354	1.0
182.09711	0.7
183.09137	2.6
184.07556	0.6
184.09821	0.9
184.11224	2.1
185.10765	1.9
186.11407	0.7
186.12854	1.2
187.11078	0.7
188.10764	0.8
194.09705	0.6
195.09206	0.6
196.09891	2.0
197.08350	0.6
197.10725	1.7
198.09160	1.4
200.09346	0.9
201.10210	1.4
201.13943	1.1
202.12242	0.6
208.06001	0.6
209.10664	3.5
210.11482	4.6
211.08690	1.7
211.12207	3.3
212.10841	4.1
213.10211	3.8
213.13751	2.3
214.12595	3.1
215.11749	1.1
220.16884	0.9
224.09244	0.6
225.10178	10.1
226.08594	1.1
226.10809	0.9
227.11668	0.7
228.08844	0.9
229.09639	1.1
229.13284	5.8
230.11789	4.9
237.10214	0.7
238.11069	1.7
238.17978	1.1
239.08098	1.4
239.11737	3.0
240.10275	2.4
241.09831	1.8
241.13339	1.2
242.11900	4.4
243.11273	8.4
244.09727	1.0
244.11989	0.5
245.12856	1.5
247.65616	0.4
250.07092	0.7
253.09653	1.9
254.10475	1.1
255.11287	3.0
256.08508	0.5
257.09174	3.1
257.12814	18.5
258.13394	0.5
259.14426	1.1
260.12848	0.8
267.07599	2.9
267.11304	1.7
269.12885	1.3
271.10760	8.6
272.11514	30.4
273.12198	4.4
274.09464	0.8
275.13934	1.0
281.09277	1.1
283.10764	1.1
285.12296	38.5
297.09085	0.7
297.12271	4.3
299.10223	7.1
299.13516	0.8
301.11884	0.7
303.13348	39.7
304.13779	0.8
313.11777	4.5
315.13416	1.0
326.09055	1.2
341.11404	0.8
359.12320	0.9
371.54373	0.4
378.18076	0.6
392.16229	0.5
420.19226	1.9
434.17126	4.6
438.20142	8.3
477.02399	0.4
488.70398	0.4
529.24597	0.6
557.23737	1.1
571.25488	4.3
574.78760	0.5
581.23981	6.3
599.24927	100.0
600.25323	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.302
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.05464	0.4
50.93583	0.4
53.03918	0.9
55.01848	0.6
55.05239	0.6
55.05501	11.2
57.03430	6.3
57.07057	1.5
65.03913	1.0
67.05489	23.1
69.07051	12.5
70.51224	1.3
70.65854	0.4
71.04971	0.6
71.08614	0.5
79.05477	6.2
81.03404	2.3
81.07037	23.4
83.04959	0.8
83.08158	0.5
83.08606	6.8
85.02891	0.5
85.06509	0.9
87.08023	0.4
91.05456	4.7
93.07027	6.2
95.04927	0.5
95.08588	17.7
97.06497	1.4
97.10136	3.0
98.98441	7.5
99.08053	0.4
105.07003	3.2
107.08573	4.0
109.02863	2.1
109.10133	6.3
111.08080	0.7
111.33699	0.4
115.90080	0.4
119.08558	2.2
121.10118	3.4
123.11671	2.3
125.09652	0.6
133.10101	2.5
135.11655	1.6
137.13229	1.1
146.91159	0.4
147.11647	1.8
149.13272	0.7
151.14839	0.4
155.01004	1.7
161.13187	1.3
163.05971	0.5
163.14813	0.9
175.14796	0.6
199.80719	0.5
245.22604	1.1
261.03659	1.7
261.74619	0.4
263.23648	1.8
317.06165	0.8
335.07294	1.4
337.27295	100.0
338.27679	1.1
425.28629	0.7
597.26709	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	597.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05505	12.9
57.03431	7.3
57.07063	2.8
65.03910	1.0
67.05496	30.8
67.09316	0.7
68.05821	1.5
68.43095	0.8
69.07063	16.9
70.06581	1.0
70.18107	3.3
70.43079	0.8
71.04986	1.0
74.40826	0.7
76.39159	0.8
79.05483	10.2
81.03407	2.9
81.06577	1.7
81.07046	30.3
82.07374	0.8
83.04961	1.0
83.08608	7.8
85.02850	1.2
91.05471	5.7
93.07045	10.9
94.07335	1.2
95.04978	1.0
95.08595	23.5
96.08950	1.4
97.06518	2.1
97.10130	3.9
98.98452	9.2
105.07003	5.3
106.61980	0.7
107.08571	5.7
109.02858	3.4
109.10152	8.4
110.10475	1.2
119.07791	0.8
119.08577	4.8
121.10120	5.4
123.11681	4.1
125.09684	0.9
133.10101	3.5
135.11667	3.0
137.09683	0.9
137.13208	2.4
145.10114	1.6
147.11668	1.9
149.13263	2.3
151.11136	0.9
155.01047	2.3
159.11638	1.3
161.13225	1.2
163.14807	1.5
173.13177	0.9
175.14807	1.3
177.16237	0.9
240.19586	1.3
243.21075	1.8
245.22672	1.0
253.60533	0.7
261.03732	2.4
261.22098	3.9
262.22446	5.5
263.05942	0.8
263.23669	2.3
263.69699	0.8
335.07416	0.9
336.26022	2.0
337.27328	100.0
338.27792	2.5
353.26654	1.3
354.27090	3.3
427.71066	0.9
443.29666	0.8
539.50812	0.9
547.68799	0.8
562.27203	1.2
581.24243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.2
55.01867	0.9
55.05497	11.2
55.89422	0.7
57.03429	5.3
57.07069	1.9
65.03925	1.7
67.05492	39.0
69.03409	1.8
69.07058	9.7
70.06570	1.1
70.12083	2.2
70.12488	1.6
71.04979	3.0
79.05481	25.1
81.03399	6.9
81.07041	34.0
81.07527	1.8
83.04958	1.5
83.08610	5.2
85.02892	1.9
85.06541	1.6
86.37618	0.7
91.05454	12.9
93.07024	28.0
95.04945	2.6
95.08588	25.6
95.09183	1.7
97.06503	1.6
97.10143	1.6
98.98446	40.2
99.04397	0.9
105.07008	10.9
107.08575	16.2
107.09289	0.9
109.02845	5.8
109.06439	1.2
109.10136	9.9
110.43887	0.7
111.08053	1.8
116.99483	1.6
117.07002	3.4
119.08561	9.9
121.10126	12.3
123.08017	0.9
123.11674	3.3
125.09545	0.9
127.03851	1.3
131.08536	5.1
133.10097	7.4
134.71590	0.7
135.11652	9.4
137.13199	0.9
140.01003	0.8
145.10107	5.0
147.11665	4.4
149.09604	0.8
149.13232	5.8
155.01022	20.9
159.11671	3.5
161.13246	2.6
163.14790	3.5
163.81931	0.8
173.02060	2.3
173.13196	3.1
175.14767	1.8
179.14211	1.0
187.14775	2.7
192.74847	0.8
220.16957	0.8
233.22568	1.4
238.18033	3.1
240.19601	3.2
243.02635	1.4
243.21045	8.2
261.03729	3.4
261.22079	17.3
287.05429	9.1
299.23874	0.8
317.06265	5.8
317.24597	4.7
335.07437	3.7
335.25735	100.0
336.26044	1.8
415.22284	2.3
423.27307	2.1
432.95877	0.8
438.22467	0.8
477.36743	6.0
559.26367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	5.3
55.05510	22.9
57.03409	8.1
57.07053	10.8
59.04984	7.1
60.28012	3.8
61.02932	6.6
65.03905	5.2
67.05497	33.7
69.03416	23.2
69.07061	35.5
70.06587	54.3
71.04974	18.4
71.08637	5.6
71.72066	5.3
71.72482	9.3
72.08131	11.8
79.05466	12.2
81.03394	18.6
81.03881	4.1
81.07050	79.9
83.08594	23.9
84.04490	8.0
84.08115	14.7
85.02891	61.2
85.06522	12.6
86.09700	29.1
87.00821	14.9
89.06009	13.6
91.05470	17.0
93.07021	20.1
95.08591	99.7
96.08134	5.2
97.02874	23.1
97.10145	15.7
97.45432	4.2
99.08065	7.5
105.01842	14.4
105.07004	9.3
107.08549	24.5
108.08064	4.8
109.02868	11.9
109.06548	5.5
109.10136	50.6
110.07168	8.2
111.04461	4.1
111.11681	11.8
119.08540	12.2
120.08059	11.8
121.02825	6.5
121.10139	13.4
123.11681	18.0
127.03895	33.8
129.01884	5.4
129.10208	6.7
131.08559	5.8
133.08559	11.7
133.10130	10.9
135.11656	12.4
136.00179	4.6
137.02245	4.0
137.13225	10.8
145.04874	10.4
145.10089	7.1
146.66554	3.9
149.13290	21.8
151.14792	17.2
151.62216	4.6
155.14291	4.2
159.11716	4.7
163.14799	8.7
165.16422	6.4
167.07060	6.6
169.15828	9.7
191.17818	4.3
218.74257	4.2
220.16928	14.6
222.18510	6.8
231.05020	7.7
238.18002	44.4
239.18677	14.1
240.19551	32.8
249.05888	4.9
275.27368	9.7
287.05460	100.0
288.05762	9.4
293.28299	25.8
311.29361	17.3
383.29120	4.9
477.36804	50.3
505.31213	5.7
595.21619	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	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
54.48211	0.4
55.05504	5.7
57.03427	5.8
57.07068	0.5
65.03937	1.2
66.27055	0.5
67.05495	28.5
69.03415	0.7
69.07060	6.9
71.04970	1.1
71.33829	1.3
79.05481	14.0
79.13640	0.5
81.03415	3.4
81.07047	25.7
83.04944	1.0
83.08602	2.4
85.02894	1.0
85.06526	0.6
91.05466	6.6
92.80380	0.4
93.07033	17.0
95.04960	1.5
95.08591	19.2
97.06539	1.4
98.98457	10.0
99.04465	0.5
102.51321	0.4
105.07002	4.5
107.08580	8.8
109.02859	2.8
109.06496	0.7
109.10134	7.1
111.08072	0.7
117.07002	0.8
119.08543	3.0
121.10135	5.5
123.11676	2.0
127.03883	0.7
131.08560	1.9
133.10127	2.5
135.11678	3.4
137.09613	0.6
145.10104	2.0
147.11641	1.8
149.13242	1.9
151.14851	0.5
153.55342	0.5
155.01004	1.9
159.11740	1.2
161.13245	1.3
163.06027	0.8
163.14780	1.1
173.02116	0.7
173.13260	1.2
175.14792	0.9
187.14810	0.4
217.52397	0.5
243.21115	1.2
261.03659	2.5
261.22086	2.9
287.05542	1.3
317.06317	0.9
317.24542	0.8
335.25760	100.0
336.26163	2.0
353.75247	0.5
470.38113	0.4
477.36691	1.1
600.03369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
53.18521	0.4
55.05268	0.6
55.05505	7.2
57.03434	7.0
57.07052	0.6
65.03920	1.0
67.05495	27.9
69.06691	0.5
69.07059	7.3
70.01913	2.6
71.04958	0.6
79.05482	13.8
81.03407	2.8
81.07046	23.0
83.04964	0.9
83.08597	2.2
85.02874	0.7
91.05459	6.5
93.07031	15.0
94.67317	0.5
95.04941	1.3
95.08595	19.9
97.06495	0.6
97.10141	0.9
98.98458	7.7
99.27094	0.5
105.07003	4.6
107.08574	7.3
109.02850	3.1
109.10136	6.7
117.06980	1.5
119.08562	2.9
121.10134	4.9
123.11674	2.0
131.08551	2.1
133.10127	2.5
135.11678	3.5
137.13260	0.6
145.10115	1.3
147.11537	0.9
149.13217	1.1
155.00993	1.7
159.11670	0.8
161.13205	1.6
163.05983	0.6
164.68135	0.5
173.02098	0.7
173.13258	1.0
187.14720	0.6
207.70181	0.4
238.17955	1.0
240.19456	0.6
243.21068	0.9
261.03705	2.4
261.22089	2.1
278.28998	0.5
287.05386	3.0
317.24701	0.9
335.07352	1.1
335.25751	100.0
336.25897	2.1
472.17422	0.6
477.36465	1.3
561.39319	0.5
595.42834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1646
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03938	0.1
55.01860	0.2
57.03429	1.7
61.02918	0.5
65.35144	0.1
68.99799	0.3
69.03418	1.1
69.55886	0.2
69.56319	0.5
70.06577	0.2
71.01355	0.1
71.04982	9.4
73.02893	0.4
75.04447	0.4
79.05492	0.1
81.03409	0.5
83.01337	0.1
83.04982	0.4
84.04458	0.1
85.02892	13.5
86.09678	0.1
87.04439	0.3
91.03951	0.1
95.04999	0.1
97.02870	1.2
99.04456	0.3
105.03381	0.2
107.04942	0.2
109.02872	0.4
111.00804	0.4
111.04438	0.4
120.02206	0.1
121.02846	1.7
121.03738	0.1
127.03900	0.8
129.05463	3.1
133.02852	0.4
135.04358	0.1
137.02357	0.4
145.04958	0.7
145.06537	0.1
147.04443	0.4
147.06520	0.9
153.01804	2.5
157.06520	0.2
161.05965	0.1
162.87741	0.1
165.01797	1.4
171.04459	0.1
175.03905	0.1
177.46687	0.1
183.02853	0.7
185.05989	0.3
189.05602	0.1
203.07025	0.2
213.05441	0.8
220.16966	0.1
231.06494	0.5
238.17949	0.3
239.18730	0.3
240.19556	0.2
241.04915	0.6
243.06436	0.1
255.08852	0.1
258.05240	0.8
259.06000	0.3
269.04303	0.2
287.05453	100.0
288.02805	0.1
288.05737	1.2
329.06290	0.1
431.09479	0.1
449.10687	0.5
477.36737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.1
55.01839	0.2
55.05500	0.2
55.58310	0.2
57.03429	1.9
59.04979	0.2
60.05615	0.1
61.02907	0.6
69.03432	1.0
69.03737	0.2
69.43359	1.0
69.43833	0.8
69.64558	0.2
70.06573	0.5
71.04983	9.1
73.02892	0.4
75.04460	0.5
81.03394	0.5
83.04951	0.5
85.02890	13.2
86.09689	0.3
87.04427	0.3
90.99358	0.2
91.03934	0.3
94.31946	0.2
97.02892	0.9
99.04411	0.3
105.03374	0.2
109.02863	0.4
111.00798	0.5
111.04432	0.5
121.02847	1.6
127.03905	0.7
129.05461	3.1
133.02832	0.3
137.02310	0.3
145.04910	0.7
147.04350	0.5
147.06473	1.0
153.00671	0.2
153.01805	2.1
165.01823	1.3
168.69969	0.1
171.04324	0.2
183.02922	0.6
185.05986	0.3
189.05463	0.2
197.05890	0.2
213.05318	0.7
220.16809	0.2
231.06419	0.5
238.18011	0.4
239.18735	0.4
239.68913	0.4
240.19437	0.4
241.04848	0.5
258.05255	0.6
259.05823	0.2
287.05450	100.0
288.05685	1.1
325.49869	0.2
329.06570	0.3
449.10678	0.6
477.36905	0.9
500.48389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1662
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.50704	0.2
55.01862	0.4
55.05497	1.5
56.05019	0.6
57.03426	3.4
59.04983	0.3
60.04513	0.4
61.01148	0.2
61.02903	0.5
65.03947	0.3
66.35936	0.2
67.05502	1.0
68.99789	0.4
69.03418	1.5
69.07059	0.7
70.06582	10.0
70.14705	0.2
71.01340	0.3
71.04984	21.5
71.06911	0.5
71.70068	0.3
72.08144	4.0
73.02908	1.1
74.06062	0.5
75.04469	1.3
76.02219	0.2
79.05479	0.8
81.03412	0.6
81.07042	1.3
82.06540	0.2
83.04974	3.7
83.06107	0.2
84.04478	1.2
84.08136	4.4
84.46622	0.2
85.02892	28.4
85.06516	0.2
86.06073	0.2
86.09692	6.9
87.04467	0.9
87.10046	0.4
88.04002	0.3
90.05502	0.2
91.05414	1.0
93.03371	0.3
93.07015	1.0
94.06554	0.3
95.04969	1.0
95.06111	0.2
95.08589	1.0
96.08131	0.5
97.02887	0.9
97.06537	0.3
98.09676	0.2
99.04446	0.5
101.05958	0.2
101.07129	0.3
102.05541	0.6
103.05389	0.2
104.05257	0.2
104.07214	0.2
105.01868	0.2
105.07009	0.7
107.04921	0.3
107.08572	0.7
107.55273	0.2
108.08092	0.5
109.02831	0.8
109.06521	0.4
109.10107	0.4
110.07160	1.0
110.09640	0.2
111.00802	0.9
111.04426	3.3
112.08610	0.2
113.06026	0.2
115.08633	0.3
116.07108	0.4
117.05463	0.2
117.06975	0.3
119.04938	0.2
119.08568	0.4
120.08097	3.3
121.02858	1.4
121.06500	0.2
121.10158	0.3
122.09650	0.5
123.04438	0.4
123.08024	0.3
125.09566	0.3
127.03895	1.1
127.07831	0.2
127.08652	0.9
129.05461	7.6
129.10210	2.8
130.06487	0.3
131.08524	0.3
133.02837	0.2
133.10141	0.3
135.04437	0.3
135.08153	0.2
135.11671	0.3
136.07573	1.1
137.02333	2.3
137.06020	0.4
138.09122	0.4
139.11208	0.2
141.10194	0.3
143.08499	0.2
143.11742	0.5
145.04993	0.4
145.06412	0.2
145.10071	0.4
147.04399	0.7
147.06467	1.1
147.11658	0.3
148.06007	0.2
149.02335	0.3
149.09634	0.2
153.01788	3.2
153.05432	0.3
155.08147	1.3
157.06422	0.2
159.09242	0.3
161.06009	0.3
163.03896	0.6
163.11020	0.2
165.01828	1.9
165.05463	0.2
167.08244	0.2
169.13506	0.2
171.06479	0.2
171.11392	0.3
171.14838	0.2
172.68831	0.2
173.05916	0.2
181.04865	0.2
182.08084	0.3
183.02861	0.9
183.11494	0.2
183.14964	0.3
185.09331	0.2
187.14519	0.4
191.03334	0.3
195.02962	0.2
197.12805	0.2
199.10699	0.4
201.05484	0.9
201.12425	0.4
203.06781	0.2
205.05000	0.2
211.14539	0.2
213.05479	0.5
219.06511	0.2
220.16916	1.9
222.07574	0.3
222.18452	0.9
226.15475	0.4
227.10324	0.3
229.04956	2.8
231.06435	0.2
238.17993	4.1
238.68178	0.4
239.09077	0.5
239.18697	1.7
239.68954	0.5
240.19562	3.8
241.04846	0.4
241.19913	0.3
247.06058	0.3
254.14955	0.4
255.11716	0.2
257.04391	1.8
258.05215	1.5
268.16571	0.2
274.04727	0.6
284.12653	0.2
285.03778	1.0
286.04660	2.6
287.05457	51.9
288.05920	0.4
293.20792	0.2
301.07028	9.1
303.04938	100.0
304.05212	0.9
311.22156	0.5
339.23984	0.2
345.06128	0.4
367.23193	0.3
413.08612	0.3
431.09753	0.3
442.75906	0.3
449.10733	2.6
452.32361	0.2
456.77426	0.2
463.12051	0.4
475.34738	0.4
476.35352	0.2
477.36816	3.7
480.31659	0.4
564.90356	0.2
594.37604	0.2
595.24835	0.3
595.38672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1647
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03913	0.2
55.01853	0.1
57.03424	1.6
61.02921	0.7
67.01881	0.1
68.99792	0.2
69.03421	1.2
70.04900	0.9
71.04984	10.0
73.02881	0.4
75.04465	0.2
75.41405	0.1
81.03400	0.4
83.04957	0.4
85.02895	13.5
87.04420	0.3
91.03959	0.2
95.04977	0.2
97.02884	1.0
99.04445	0.4
109.02856	0.5
111.00766	0.4
111.04419	0.3
121.02856	1.6
127.03893	0.9
129.05461	3.2
133.02808	0.4
137.02325	0.4
145.04907	0.9
147.04390	0.2
147.06494	1.0
153.01811	2.2
157.06448	0.3
165.01848	1.1
183.02864	0.6
185.05960	0.3
213.05431	0.9
231.06506	0.4
241.04884	0.6
258.05185	0.6
259.05905	0.3
287.05463	100.0
288.05789	2.7
294.15994	0.1
299.05511	0.2
329.06418	0.3
332.64572	0.2
397.08994	0.2
433.11472	0.2
449.10895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86003	0.4
68.27435	0.4
68.74284	0.4
71.70474	0.7
88.93639	0.6
91.47034	0.4
94.92995	4.3
101.66737	0.5
120.94545	10.1
136.93985	1.0
138.05563	0.8
143.01720	0.5
147.53978	0.5
148.94016	4.9
150.91982	0.5
156.54388	0.4
160.94011	0.7
162.95552	0.6
176.93292	0.4
192.92984	7.4
211.65482	0.4
234.94006	1.2
252.95088	100.0
253.01785	2.6
253.95421	0.8
312.98080	0.7
326.75201	0.4
376.28714	0.6
381.07816	1.7
397.97391	0.4
459.87585	0.6
526.97266	0.6
595.17950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22449	0.9
53.03929	4.0
55.01863	4.7
55.05503	19.0
56.05014	1.8
57.03418	5.3
57.07070	8.4
59.04975	1.9
60.04502	1.3
61.02908	3.2
64.57664	1.0
65.03923	1.7
67.05495	34.3
68.99773	1.2
69.03419	18.9
69.07059	40.9
69.43240	9.9
70.06583	28.1
70.07400	0.9
71.04987	5.7
71.06915	1.3
71.08604	2.9
72.08152	12.2
73.02915	2.1
74.06034	1.0
76.02223	1.5
79.05058	1.5
79.05482	18.4
81.03411	16.0
81.07045	100.0
82.07381	2.4
83.04951	2.5
83.08612	14.7
84.04476	3.0
84.08140	7.7
85.02894	41.6
85.06532	36.9
86.06045	1.2
86.09209	1.6
86.09695	23.1
87.00813	16.0
87.04473	1.5
87.05566	1.3
87.10020	1.7
91.05437	11.1
93.07029	39.4
93.07623	1.9
94.06540	2.2
94.07362	1.2
94.83907	0.9
95.04961	6.0
95.08595	78.8
96.08101	1.6
97.02876	16.4
97.06525	6.5
97.10161	9.3
98.09644	1.7
99.04462	7.1
99.08083	18.0
100.11241	1.1
101.02385	1.1
102.05537	2.0
104.05255	1.4
105.01846	13.1
105.07012	14.2
107.04932	1.9
107.08579	44.9
108.08125	1.8
109.02876	13.0
109.06489	2.7
109.10142	48.3
110.07174	4.5
111.08082	10.2
111.11693	7.3
113.09621	3.6
115.03929	1.4
117.01862	2.4
117.07043	2.0
119.08569	14.0
120.08090	11.0
120.08849	1.8
121.10132	29.7
122.05933	1.3
122.09685	1.9
123.04430	1.1
123.08108	2.4
123.11690	37.9
123.60570	1.0
124.07557	1.1
125.09617	6.2
125.13264	2.7
127.03896	27.5
127.11168	3.8
128.52029	1.1
129.01834	1.6
129.05475	1.2
129.06944	2.1
129.10190	4.9
130.06549	1.0
131.08569	4.5
132.01541	1.1
133.06209	1.3
133.10104	9.1
135.08078	1.5
135.11679	21.3
136.07544	3.3
137.05945	2.6
137.09596	2.1
137.13232	20.4
139.11142	7.0
141.10100	1.0
141.12712	2.2
143.08591	1.8
143.10680	1.6
145.04948	9.1
145.10089	4.1
147.04498	1.0
147.08003	1.4
147.11665	6.7
149.09555	1.5
149.13234	38.7
151.11209	1.3
151.14798	8.8
153.08963	1.0
153.12721	6.8
155.14247	1.2
157.10088	1.4
159.02859	6.6
159.08038	1.3
159.09196	1.8
159.11624	3.3
161.13269	7.3
163.11159	1.6
163.14795	19.0
164.15193	0.9
165.09090	1.1
165.12723	1.8
165.16367	2.0
167.14290	3.9
171.07745	1.3
171.11624	1.2
173.09602	1.4
173.13222	2.9
175.14757	2.8
177.12834	1.2
177.16370	13.7
179.14223	1.3
179.17970	2.0
181.15860	2.4
183.14975	1.1
186.09126	1.0
187.11188	1.8
187.14705	1.8
189.16325	2.0
191.17924	3.9
195.17448	9.6
199.10960	1.2
200.13957	1.5
201.12363	1.8
203.17918	4.7
205.19524	3.1
207.17451	1.0
209.18900	2.2
213.08833	1.1
213.16472	1.6
213.18471	17.0
217.19513	5.1
218.15396	1.3
220.16914	8.5
221.18988	1.5
222.18549	2.5
223.14960	1.0
231.04959	6.7
233.22704	1.1
233.55788	1.0
235.20505	3.3
236.16397	1.4
238.18008	14.8
238.68115	1.8
239.18690	5.8
239.68909	2.5
240.19585	11.3
241.19856	1.8
247.24290	1.5
252.19635	1.2
252.90952	1.0
253.21571	1.6
256.19012	2.0
261.25656	1.7
263.23901	1.1
265.25323	2.2
273.25659	8.5
275.20169	1.8
279.26791	6.9
289.25299	1.1
291.19650	1.2
291.26791	32.9
292.27301	1.6
293.17633	1.0
293.21069	1.3
297.27878	15.8
301.14777	1.4
305.64359	1.0
309.27829	43.2
310.28125	2.7
325.18793	6.2
325.68967	1.6
327.28848	20.7
328.29025	1.4
333.27740	1.1
345.29868	2.9
381.27808	1.1
399.28806	2.2
417.29755	2.2
475.35495	5.8
477.36942	1.2
501.36285	1.1
539.31622	1.4
593.24548	1.5
593.37463	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	593.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.06777	1.2
55.01858	6.0
55.05506	18.5
57.03426	3.2
57.07064	9.4
59.04987	3.3
61.02905	3.1
66.22740	1.3
67.05498	21.8
68.05799	1.6
68.99799	2.0
69.03420	18.4
69.07059	53.3
69.55692	13.5
70.06583	23.1
70.07384	1.7
71.04990	7.2
71.08616	5.1
72.08139	4.6
73.06548	1.6
74.09755	1.2
75.83379	1.5
79.05495	13.5
81.03413	13.4
81.07044	100.0
82.07403	1.8
83.04969	2.9
83.08608	17.1
84.04489	3.4
84.08133	5.4
85.02894	32.6
85.06525	20.8
86.09695	12.6
87.00809	12.8
89.06011	1.9
91.05407	8.0
93.07037	30.7
95.04948	6.1
95.08594	76.9
96.08135	2.4
97.02888	14.6
97.06518	10.1
97.10144	11.2
99.04449	7.1
99.08083	10.8
100.11239	1.7
105.01840	10.6
105.07020	12.5
107.08576	32.3
108.08102	3.3
109.02872	11.1
109.06536	3.3
109.10143	39.7
110.07156	1.9
111.08070	22.4
111.11712	12.8
113.09665	1.9
117.07046	1.7
119.08526	9.0
120.08096	9.0
121.10131	20.5
123.08086	2.8
123.11689	39.9
125.09627	5.2
125.13267	4.2
127.03887	22.1
127.11185	8.1
129.10167	2.0
130.06497	2.2
131.08603	2.5
133.10103	7.1
135.08037	2.4
135.11665	19.2
136.07585	2.5
137.05902	1.6
137.09622	2.1
137.13243	32.3
139.11227	3.4
143.08513	2.5
145.04922	4.0
145.10149	3.1
145.65193	1.3
147.11684	7.4
149.13235	31.5
151.14836	3.7
152.10970	1.4
153.12737	15.6
155.14285	7.3
159.02879	4.3
159.07921	1.9
159.09143	2.0
161.09613	1.7
161.13245	3.6
163.14853	8.7
165.16341	1.5
165.97180	1.3
167.14284	9.3
171.11493	1.7
171.13818	4.8
173.15363	3.4
175.14877	2.4
177.16351	4.3
179.14510	1.5
183.14975	1.6
185.13248	1.8
185.15298	2.0
187.18675	1.5
191.17859	3.7
195.17426	2.9
201.12503	1.8
203.17825	1.5
205.19521	4.8
213.04021	2.2
217.19492	3.1
220.16946	8.8
222.18500	3.1
223.20615	3.1
231.04932	3.4
238.18016	15.1
239.18726	4.7
240.19534	11.4
243.08734	1.4
261.25986	1.7
273.25659	4.1
275.20050	2.9
279.26822	9.9
291.26779	26.9
293.21179	3.9
297.27798	6.3
309.27850	55.7
311.22034	2.0
315.28906	1.9
327.28989	11.6
345.29965	8.8
399.28513	1.7
417.02570	1.4
417.29825	2.2
475.35098	5.3
477.36966	2.1
557.32288	2.0
592.16693	1.7
593.36108	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	593.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21038	1.0
53.03933	3.1
55.01866	5.7
55.05505	19.3
56.05027	1.1
57.03411	4.5
57.03675	1.1
57.07064	11.1
59.04979	4.9
60.04520	1.7
61.02899	3.7
67.05493	33.7
69.03414	15.9
69.07058	41.1
70.06585	20.2
71.04980	5.7
71.08627	5.4
72.08157	6.1
73.02881	1.6
77.67387	0.9
79.05479	19.2
80.05817	1.4
81.03412	10.2
81.07044	100.0
82.07394	1.6
83.04962	3.1
83.08608	22.2
84.04487	2.3
84.08125	6.4
85.02898	31.7
85.06530	47.1
86.09697	12.7
87.00805	10.8
87.04465	2.3
87.10050	1.1
91.05424	10.5
93.07030	35.2
94.06570	1.4
94.07352	2.0
95.04946	3.8
95.08593	78.1
96.08109	2.1
96.08910	2.6
97.02273	1.6
97.02876	12.7
97.06516	9.1
97.10149	13.0
98.09605	1.7
98.21520	2.5
99.04432	4.9
99.08080	12.2
102.05522	1.1
102.20757	1.1
105.01846	9.8
105.07023	13.1
106.07337	1.7
107.04932	1.4
107.07867	2.0
107.08578	39.0
108.08131	2.6
108.08891	3.1
109.02869	10.7
109.06510	2.6
109.10138	55.9
110.07133	2.5
110.09692	1.5
110.10427	1.8
110.31480	1.0
111.04456	1.6
111.08054	8.7
111.11716	11.1
113.09612	3.4
115.03915	2.0
115.07539	4.4
117.06974	1.6
119.08561	11.4
120.08081	7.9
121.10126	21.9
122.09596	1.6
122.10459	1.6
123.08024	3.0
123.11693	37.1
124.12045	1.3
124.99876	1.3
125.09592	8.6
125.13266	3.3
127.03890	14.1
127.11215	2.8
129.10251	2.4
131.08525	4.8
133.06430	1.2
133.10074	8.3
135.08096	1.4
135.11684	18.6
136.07552	1.4
137.06020	1.5
137.09618	1.5
137.13228	16.4
139.11169	5.3
141.12686	1.3
143.08539	2.0
143.10651	14.7
145.04935	4.3
145.10088	3.8
146.10492	1.5
147.10764	0.9
147.11685	8.9
149.13240	20.1
149.66336	1.0
151.07513	1.2
151.11139	2.0
151.14801	9.3
153.12735	7.6
155.14287	1.9
157.10074	2.0
159.02885	3.2
159.09132	1.8
159.11636	3.0
161.09544	1.5
161.13220	5.5
163.14790	15.6
165.12784	3.2
165.16360	3.1
166.38686	1.0
167.14325	4.2
171.11575	1.9
173.13167	1.7
175.11122	1.7
175.14809	1.9
177.16354	7.0
179.10498	1.5
179.17969	2.5
181.15848	1.6
183.13725	1.4
187.11082	1.5
187.14580	1.7
189.16385	2.7
191.17998	7.6
193.19534	1.8
196.07350	2.0
203.17915	4.2
205.19479	4.8
207.21011	2.1
209.18932	1.5
215.56464	1.2
217.19495	4.1
220.16951	7.1
221.18997	2.7
222.18507	2.0
223.20631	1.4
231.05049	2.0
231.21083	1.3
233.22614	3.6
238.18040	10.8
238.68152	1.5
239.18687	5.0
240.19444	8.3
245.22469	1.6
251.27357	1.1
261.25705	4.4
273.18478	1.4
273.25726	8.1
279.26816	11.3
285.07526	10.1
291.19702	1.3
291.26785	26.7
292.13074	1.3
292.19714	1.5
292.27203	1.9
293.21136	1.4
297.27850	47.9
298.28116	2.2
299.06201	1.1
307.26559	1.1
309.27826	44.0
310.27988	1.5
327.28903	11.5
345.29871	1.8
355.11053	1.3
386.45828	1.2
390.05481	1.2
399.28757	1.7
417.29889	1.3
447.12851	1.4
475.35349	6.1
521.30762	1.6
539.31732	1.2
593.24237	3.4
593.34631	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	593.2747
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
64.87997	0.2
66.06670	0.2
70.89278	0.5
78.02020	0.2
92.97292	0.2
95.04732	0.3
97.72586	0.3
97.84344	0.2
97.95551	0.2
182.14229	0.2
190.88257	0.2
209.10838	0.4
211.12315	0.3
221.10776	0.3
252.03563	0.3
388.16949	0.3
389.17557	0.7
401.17664	0.3
402.18234	0.4
403.19281	1.9
404.19852	0.7
405.21033	1.2
417.21326	1.8
418.21756	1.5
419.22272	2.3
420.22977	0.4
430.17661	0.8
431.09381	0.3
431.18149	5.8
432.18692	2.0
433.24234	4.4
434.24954	1.5
445.19809	6.2
446.20587	3.1
447.21671	3.7
448.22574	0.3
449.23431	0.3
459.21378	2.5
460.22546	7.9
461.23172	5.7
462.24017	0.3
463.21164	0.3
473.24191	1.2
474.23947	0.7
476.25967	0.5
477.27185	0.4
487.24872	1.0
491.24512	0.7
492.25183	0.8
493.25900	0.4
505.21869	4.1
518.22821	0.6
519.24060	0.7
533.25446	20.5
534.25818	1.9
564.24066	0.7
565.28174	0.4
578.24268	0.4
586.21252	0.3
593.27515	100.0
594.27765	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	593.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93023	0.2
70.85040	0.6
100.62468	0.3
108.25942	0.3
119.94485	0.2
128.04433	0.3
128.90158	0.3
181.34816	0.2
195.85297	0.3
235.12338	0.3
235.87968	0.2
389.17349	0.8
402.18442	0.8
403.19009	1.8
404.19766	0.9
405.20737	1.4
416.20334	0.4
417.16629	0.9
417.21329	3.2
418.21747	1.5
419.22247	3.2
430.17746	1.0
431.17981	6.5
432.18298	2.0
432.23990	0.6
433.24176	5.9
434.24490	2.0
444.19135	0.5
445.19836	8.2
446.20767	4.5
447.21646	4.5
447.26974	0.4
448.22275	0.7
449.23132	0.4
459.21637	3.4
460.22467	10.8
461.23209	10.8
462.23575	0.8
473.23816	1.9
474.24164	1.1
476.25928	1.3
477.21768	0.4
477.26993	0.6
487.24884	1.6
489.26437	0.8
491.24652	0.4
492.25134	1.0
505.21768	4.1
518.22992	0.7
519.23822	0.8
533.25427	43.2
534.25635	3.8
547.26953	0.4
561.25323	0.4
564.23712	0.6
565.28015	1.1
575.26367	0.5
585.87964	0.3
593.27490	100.0
594.27777	8.7
594.37323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01859	0.5
55.05502	1.2
56.05024	0.7
57.03411	0.4
57.98798	0.2
58.99575	3.6
59.04984	0.3
60.04509	0.5
61.01136	0.3
61.02915	0.2
65.03943	0.2
67.05495	1.5
68.05022	0.2
68.99779	0.3
69.03413	2.5
69.07060	1.3
70.02943	1.5
70.06581	12.0
71.01339	0.6
71.04977	0.8
71.06907	0.5
71.65192	0.2
72.08133	1.8
73.02921	0.3
74.06065	0.7
76.02213	6.2
79.05471	1.8
81.03419	1.0
81.07047	1.5
83.04967	2.4
83.06104	0.6
84.04492	4.1
84.08129	1.7
85.02884	2.2
85.06538	0.4
85.08447	0.2
86.00643	0.8
86.06046	0.4
86.09692	6.1
86.99046	1.9
87.00813	0.6
87.02686	0.3
87.05567	0.4
88.02202	4.8
88.03976	28.2
91.05465	3.2
93.07024	6.1
94.06551	0.4
95.04942	1.1
95.08601	1.6
96.08102	0.4
97.02885	0.5
97.06516	0.5
98.06058	0.4
99.04440	0.8
100.02158	0.2
101.07124	0.8
102.05557	0.4
103.05473	0.9
104.05307	0.3
104.07114	0.2
105.00069	4.2
105.01845	0.5
105.04491	0.2
105.07015	3.2
107.04935	1.1
107.08572	6.0
108.08100	0.4
109.02855	0.8
109.06514	1.3
109.10166	0.4
110.07146	1.7
110.09702	0.3
111.04430	0.4
111.08109	0.2
113.06007	0.2
115.08645	0.3
116.07065	0.2
117.01791	0.2
117.07007	2.1
119.04932	0.7
119.08556	2.4
120.01139	0.5
120.08083	15.2
121.06483	6.9
121.08417	0.3
121.10114	2.2
122.02704	34.4
122.09677	0.3
123.04445	0.2
123.08032	2.2
125.04204	0.2
125.05993	0.2
125.07094	0.3
127.03893	1.2
127.07598	0.2
127.08657	0.3
129.05542	0.2
129.06836	0.6
129.10219	1.0
130.05008	1.0
130.06493	0.2
130.07742	0.2
131.04895	0.4
131.08560	2.5
132.01126	1.6
132.08119	0.3
133.06487	0.3
133.10107	2.8
134.02679	1.9
135.08035	3.0
135.10689	0.4
135.11676	5.9
135.12711	0.3
136.07588	0.9
136.08432	0.2
137.04178	0.6
137.05945	0.6
137.09590	0.8
138.09093	0.2
141.10223	0.2
142.07726	0.2
143.08516	0.4
143.11748	1.6
144.09291	1.3
145.04922	0.3
145.06464	0.8
145.10107	2.3
146.02660	0.4
147.04353	0.6
147.07811	0.9
147.11624	0.5
149.05962	2.2
149.09570	0.9
149.13263	1.8
151.05759	0.3
151.07495	1.3
151.11163	0.4
153.03714	0.7
153.09102	0.2
154.07761	0.2
155.06949	0.4
157.10068	0.6
158.07271	0.2
159.02852	0.3
159.07999	0.5
159.09183	0.4
159.11668	8.3
161.05981	0.9
161.09560	0.8
161.13281	0.3
162.09123	0.2
162.10368	0.4
163.07516	2.0
163.11154	3.7
164.10622	0.2
165.03664	0.9
165.07544	0.2
165.09007	0.4
165.10245	1.1
165.12582	0.2
167.08139	0.2
169.10027	0.6
171.11311	0.6
172.08821	0.9
173.12962	0.4
175.11101	0.8
176.08334	0.2
177.09221	0.4
177.12714	17.9
179.04948	0.2
179.08865	0.6
181.03172	0.2
182.11740	0.5
183.04712	0.9
183.11365	0.2
183.14934	0.7
185.09294	0.4
187.11133	3.6
189.12744	0.2
190.09901	0.4
191.10564	0.3
193.10686	0.2
193.12131	1.1
194.15289	0.3
195.07875	0.3
196.06004	0.4
197.09682	0.3
199.10735	0.2
201.12256	0.4
204.13759	0.2
205.12207	28.4
206.12692	0.3
207.11348	0.2
207.13805	0.5
208.07867	0.2
209.05981	0.2
209.09868	0.3
211.11133	0.8
211.14404	0.4
213.08675	0.5
217.13541	0.3
218.15147	0.2
219.08130	0.3
220.16949	0.7
221.05496	0.4
221.09825	1.3
221.17284	0.3
222.14961	0.2
222.18512	0.4
223.07225	0.2
226.12009	0.2
229.15437	0.4
231.04735	0.2
235.11447	0.4
236.16531	0.2
237.09406	5.4
238.17999	2.8
238.68196	0.4
239.10977	2.9
239.18378	0.5
240.19585	0.6
241.08272	0.5
254.08415	0.2
257.12439	1.1
258.10767	1.3
262.12659	0.8
266.17584	0.2
268.13297	0.8
275.13492	0.9
276.13412	2.0
280.13525	0.3
292.10205	0.5
296.12802	0.4
308.09476	0.4
308.13049	3.2
309.11533	0.4
316.18704	0.2
318.18005	0.7
326.14136	100.0
327.14288	1.1
330.20294	0.2
335.20798	0.4
342.13904	0.2
344.15265	1.8
360.15479	0.6
364.18677	0.3
392.21277	0.2
405.17545	0.5
422.20193	1.0
436.72540	0.2
446.23816	0.5
475.35269	0.7
476.35892	1.1
493.36343	0.3
494.36203	0.6
509.75232	0.4
574.19519	0.5
591.62805	0.2
592.20123	1.8
592.29370	1.1
610.26123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
55.96259	0.5
56.05015	1.0
58.99578	3.5
60.04496	0.6
62.62579	0.5
67.05485	1.2
69.03415	2.2
69.07048	2.1
70.02930	1.7
70.06583	16.8
71.04975	1.0
71.06885	0.6
71.77053	1.1
71.81216	0.5
72.08135	1.2
74.06053	0.7
76.02215	6.9
79.05466	1.2
81.03380	0.9
81.07050	1.2
83.04984	2.4
84.04481	2.5
84.08128	2.4
85.02879	2.1
85.06553	0.7
86.00643	0.6
86.09702	6.2
86.99046	2.4
87.00820	0.8
88.02206	3.8
88.03978	28.6
91.05463	4.0
93.07025	5.8
95.04947	0.9
95.08596	0.9
97.06487	0.5
99.02653	0.5
99.04441	0.9
101.07142	0.6
105.00085	4.1
105.01871	0.8
105.07036	2.9
107.04931	1.1
107.08585	5.8
109.02857	0.9
109.06494	1.0
110.07137	2.3
112.08682	0.7
114.56011	0.4
116.07154	0.5
117.06979	1.8
119.04913	0.9
119.08575	2.4
120.08087	10.3
121.06489	7.2
121.10105	1.8
122.02711	37.4
123.08039	2.0
127.03879	0.7
129.07002	0.8
129.10229	1.9
129.75612	0.5
130.04984	1.2
131.08571	3.1
132.01123	1.8
133.10094	2.5
134.02670	1.5
135.08026	3.2
135.11676	5.4
136.07582	1.4
143.11763	0.7
144.09285	1.5
145.10109	1.7
147.07780	0.9
149.05943	2.3
149.09634	1.5
149.13237	2.1
151.07561	0.9
151.11099	0.7
153.09131	0.7
159.11678	8.9
161.05936	0.7
162.10304	0.8
163.07552	2.3
163.11169	4.1
165.03664	1.5
169.09962	0.7
172.08742	0.6
175.11115	0.9
177.12727	17.2
179.08928	0.6
183.04706	0.6
183.14966	0.7
185.09290	0.6
187.11143	3.1
193.12306	1.6
205.12210	28.3
206.12662	0.5
207.13779	0.7
211.11115	0.7
220.17006	1.0
221.10010	0.6
222.14825	0.9
229.19498	0.6
237.09406	5.0
238.17979	2.8
239.10973	2.6
239.18446	0.6
240.19365	0.5
241.07935	0.6
257.12473	0.6
261.80746	0.6
262.12601	0.8
268.13220	1.1
276.13379	0.8
296.12912	0.5
308.13098	3.4
326.14157	100.0
327.14548	1.4
344.15164	0.7
354.75623	0.5
360.15457	1.6
390.70660	0.6
418.22235	0.8
476.35312	1.4
493.87537	0.5
494.36664	1.0
592.10291	0.5
592.20142	1.1
592.27869	0.9
592.35895	1.0
616.36725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08321	1.4
50.12941	1.1
53.03934	2.4
55.01859	1.9
55.05503	14.7
57.03432	12.1
57.07067	40.9
65.03910	2.5
67.05497	61.5
69.07059	15.0
70.34995	4.8
71.00828	1.3
71.04989	1.7
71.08619	28.0
77.03947	1.4
79.05051	1.8
79.05483	30.0
81.07046	73.5
83.04967	1.3
83.08606	15.0
85.06533	2.1
85.10167	17.7
86.44687	1.3
88.38000	1.3
89.06033	2.4
91.05461	18.7
93.07034	43.0
95.04949	2.6
95.08596	61.2
95.15078	1.2
97.03694	1.3
97.06506	1.9
97.10146	8.5
99.08102	1.3
103.07601	2.0
105.07021	15.1
107.08582	26.3
109.10147	31.5
111.08083	1.8
117.06979	7.9
119.08583	11.8
121.10125	19.2
123.07996	1.4
123.11689	11.8
131.08566	14.1
133.10100	10.0
135.11659	13.6
137.13220	4.9
145.10109	11.3
147.11697	7.0
149.13248	11.0
151.14795	2.1
159.11713	8.2
161.13231	5.1
163.14867	6.6
173.13231	8.4
175.14865	2.3
177.16418	2.6
187.14836	3.7
201.16301	2.6
227.47118	1.3
233.22572	1.9
238.17972	1.6
239.23648	4.8
243.20930	11.5
257.24863	1.6
261.19357	2.9
261.22122	55.2
262.22528	1.9
279.23273	2.0
291.22916	1.6
313.27332	100.0
314.27618	2.4
317.24747	10.9
335.25757	67.2
417.93399	1.5
494.98013	1.7
573.48682	25.8
574.48645	1.4
591.49744	12.0
593.64911	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	591.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45294	1.8
53.03930	5.3
53.30186	1.6
55.01859	7.2
55.05499	23.1
57.03423	3.4
57.07056	7.7
59.04994	3.8
67.05488	23.7
69.03416	15.4
69.07057	100.0
70.06580	23.3
70.68195	1.6
70.78268	6.0
71.04985	4.6
72.08125	2.6
73.02888	4.3
79.05473	12.0
81.03416	10.7
81.07043	75.0
83.04969	4.2
83.08598	16.5
84.08110	7.2
85.02890	26.1
85.06528	19.7
86.09692	21.7
87.00829	11.3
89.05982	1.9
91.05460	9.1
93.07027	27.9
95.04964	9.0
95.08589	55.5
97.02853	10.5
97.06509	7.9
97.10139	7.6
99.04446	5.7
99.08065	13.9
101.05994	5.2
104.54151	1.7
105.01842	10.1
105.07013	14.9
107.08591	26.3
109.02881	12.0
109.06490	7.1
109.10136	54.8
110.07172	2.3
111.08066	10.0
111.11699	25.0
117.01800	2.7
117.06987	2.7
118.17291	2.2
119.08556	13.2
120.08071	5.7
120.49446	1.9
121.10122	22.0
123.08036	4.3
123.11687	35.3
125.09609	9.6
127.03903	17.8
127.11160	7.7
129.10234	5.0
131.08534	4.3
133.10114	8.0
135.11671	13.3
137.09616	4.8
137.13188	9.0
139.11153	22.9
145.04924	5.1
145.10097	6.2
147.11676	11.2
149.13242	14.2
151.11156	2.7
151.14859	8.7
153.12726	4.0
155.10634	5.1
157.12216	6.0
159.02866	5.1
159.11624	8.7
161.09613	1.9
161.13274	7.7
163.14833	5.1
165.12784	5.5
167.14296	2.1
171.11708	2.1
173.13016	5.2
175.14766	2.4
177.16397	3.3
179.14297	5.0
183.13760	2.4
185.09331	2.6
185.13231	2.0
187.14781	3.8
189.16348	2.7
191.17932	17.9
197.13239	2.1
201.16455	2.4
215.17912	3.4
219.17372	5.4
220.16942	4.1
222.18573	2.9
231.05069	2.6
231.21123	2.3
237.18515	5.3
238.17998	9.7
240.19699	4.5
251.20221	2.8
256.18909	1.9
271.24176	4.9
277.25256	9.5
289.25223	19.4
295.26266	67.7
307.26257	89.4
325.27356	30.7
415.28802	2.9
452.36234	1.9
475.35422	2.2
490.83557	2.6
499.36166	2.0
502.05148	2.0
513.29913	1.8
540.81396	2.0
591.36530	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	590.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20483	0.1
55.05500	0.1
56.05023	0.5
58.06615	0.4
59.07367	0.1
60.08154	5.7
67.05488	0.1
69.07054	0.1
69.36821	0.5
69.37252	0.3
70.06586	0.1
71.07362	2.9
79.05475	0.1
81.07046	0.2
85.77171	0.1
86.09691	28.6
87.10040	0.1
91.05439	0.1
93.07024	0.1
95.08591	0.2
98.21524	0.1
98.98444	2.8
104.10726	3.0
107.08604	0.1
109.10144	0.1
123.08056	0.2
124.99979	19.7
126.00325	0.1
135.08029	0.1
143.01047	0.3
166.02618	0.2
179.14304	0.3
184.07309	100.0
185.07672	0.5
251.20255	0.1
258.11020	0.2
333.27792	0.2
407.31451	0.1
572.37134	1.1
590.38086	4.6
591.38434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49251	0.5
55.68976	0.5
56.05006	1.0
57.07065	1.2
58.06586	1.1
60.08154	16.7
61.97769	0.5
62.07765	0.5
67.05503	0.9
69.07050	0.9
69.18715	0.5
70.79243	1.1
70.79585	0.8
71.07360	7.5
71.08609	1.9
77.18026	0.4
81.07028	1.1
84.09653	0.4
86.09690	52.3
89.06008	2.1
91.05459	1.2
93.07018	1.0
95.08594	0.8
96.71819	0.6
98.98456	3.2
104.10725	95.3
105.11057	1.1
107.08564	1.0
109.10178	0.6
117.11845	0.5
119.08555	0.6
121.10154	0.5
123.07990	0.9
124.99980	27.6
133.08600	2.2
143.00980	0.5
165.09175	0.6
177.11243	1.3
179.14288	2.1
184.07310	100.0
197.15408	0.5
223.28426	0.5
258.10947	0.9
275.61591	0.5
291.23334	0.6
333.27759	0.8
407.31348	0.6
447.25958	0.6
572.37061	8.0
590.38068	51.7
591.38214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01867	5.3
55.05506	19.0
57.03409	3.6
57.07061	8.9
58.89317	3.2
60.04487	3.5
61.02918	3.8
67.05499	24.7
67.60272	3.1
68.05013	3.7
69.03413	17.5
69.07059	46.1
70.06583	42.2
70.77647	4.7
70.78012	10.2
71.04969	4.1
72.08141	11.0
79.05489	14.0
81.03415	14.1
81.06571	4.4
81.07046	87.9
83.08616	19.0
84.04486	7.1
84.08122	9.0
85.02901	24.4
85.06528	8.8
86.09692	25.6
87.00801	8.3
87.38036	3.5
89.06020	9.1
91.05459	11.0
93.07024	27.0
95.04958	12.1
95.08590	100.0
97.02869	10.2
97.06507	3.6
97.10156	17.6
98.09692	5.5
99.04444	7.1
99.08088	7.6
105.01852	10.1
105.07049	12.8
107.04987	3.9
107.08593	22.7
108.08098	6.3
109.02855	9.4
109.06501	4.3
109.10137	51.1
109.10819	4.9
110.07138	3.5
111.08074	7.2
111.11710	8.8
117.06987	5.3
119.08531	18.3
120.08086	13.0
121.06612	3.5
121.10123	20.8
122.09650	5.2
123.08108	4.9
123.11673	26.8
125.09590	5.9
125.13305	5.0
127.03925	18.1
129.10202	7.1
131.08575	7.3
133.08589	6.1
133.10109	9.5
135.11635	18.3
137.09656	3.7
137.13240	9.7
139.11156	6.5
143.08572	3.1
143.10664	4.0
145.10107	9.4
147.11685	7.7
149.13235	13.0
151.11203	5.3
151.14793	24.4
156.38399	3.3
159.03018	4.2
159.11719	3.4
161.13254	10.4
163.14806	7.6
165.12717	4.4
165.16350	5.3
173.13206	3.7
177.16420	7.1
179.14252	4.5
196.07303	4.4
197.15346	4.0
203.17966	5.4
207.17453	3.5
214.76395	3.9
220.16963	14.7
222.18484	5.1
237.18578	5.9
238.17961	42.3
238.68182	6.4
239.18729	13.6
239.68991	8.0
240.19577	23.4
251.20119	4.5
262.91528	3.5
271.24213	8.2
289.25275	18.7
295.26346	6.3
307.26230	53.8
325.27353	13.1
397.27057	3.6
415.28073	8.2
475.35480	5.3
477.36758	18.8
493.35754	4.2
494.21536	4.4
591.39441	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	590.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78714	0.2
56.05025	0.7
59.08755	0.2
60.04487	0.2
68.05027	0.2
70.06580	72.5
71.06908	0.6
71.51818	0.2
71.52146	0.4
72.08150	0.9
74.06061	0.4
83.06141	0.3
84.04492	9.2
84.08125	1.0
85.02905	0.5
86.09699	1.5
91.05479	0.9
93.07051	0.4
98.06025	0.5
101.07114	3.3
102.05545	0.7
103.05438	1.4
104.05322	0.4
110.06030	0.5
110.07146	0.7
115.08680	1.6
116.07103	0.6
119.88206	0.3
120.08086	70.1
121.08433	0.6
127.08638	0.5
129.06607	0.8
129.10222	0.6
130.04985	15.6
131.04913	1.8
132.59845	0.2
136.07565	0.3
141.10188	4.7
147.07623	29.3
154.09782	0.7
155.08162	1.3
165.10213	12.8
168.08086	0.5
169.09715	3.7
170.09686	0.7
172.10789	0.3
180.06541	0.6
182.09332	0.3
185.09229	0.3
186.09105	2.4
193.06017	0.3
198.12445	0.5
200.10251	0.3
201.08644	0.3
214.08575	1.2
226.11853	0.8
227.10213	4.7
227.12292	0.4
231.11349	0.3
242.08087	3.9
244.12895	100.0
245.13200	1.2
248.13892	0.3
259.10767	3.7
276.13385	10.7
276.16428	0.5
284.13916	0.4
285.12082	0.3
289.22684	0.3
297.15494	0.5
312.13287	0.4
315.16568	28.9
316.16907	0.3
325.14902	0.7
330.14716	0.4
347.17108	8.3
359.25916	0.3
427.19684	0.7
443.22168	0.3
444.22409	0.6
555.25250	0.6
573.26294	0.6
590.29333	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	589.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01864	6.3
55.05503	4.8
56.05038	0.8
57.03428	2.9
57.07070	3.3
58.06598	0.4
59.04987	2.4
60.04513	1.1
61.01108	0.5
61.02920	1.4
65.03918	1.1
67.05495	11.5
68.99785	1.4
69.03419	16.7
69.07053	7.2
69.71803	3.0
70.06583	19.2
71.01354	1.3
71.04983	7.1
71.06925	0.9
72.08141	6.1
73.02908	2.1
73.08486	0.7
74.06071	0.6
75.35696	0.4
79.05486	6.4
81.03412	3.8
81.07046	19.3
82.06582	0.5
83.04967	2.4
83.06123	0.7
83.08629	2.6
84.04489	3.1
84.08134	4.0
85.02894	20.1
85.06530	10.0
85.07021	0.8
86.06045	0.6
86.09694	10.6
87.00814	11.7
87.04479	2.4
87.05573	0.9
87.10023	0.9
89.06022	0.6
91.05461	6.0
93.07034	12.9
94.06542	0.6
95.04955	8.2
95.08593	15.9
97.02874	21.1
97.06506	4.1
97.10143	1.2
99.04440	2.5
99.08085	2.2
101.06017	0.7
101.07102	0.9
102.05544	1.1
103.03905	0.5
103.05449	0.8
104.05367	0.8
105.01846	6.0
105.07018	8.7
107.04924	1.1
107.08572	14.6
108.08115	1.6
109.02865	3.0
109.06501	100.0
109.10143	33.4
110.07098	2.0
111.08074	7.1
111.11721	0.7
113.05979	0.6
115.03914	20.3
115.05421	1.0
117.07022	2.1
119.04914	0.9
119.08569	5.7
120.08079	4.7
121.06499	1.9
121.10128	9.7
121.10940	0.9
122.05981	0.7
122.09756	0.5
123.04443	0.6
123.08052	11.2
123.11687	10.9
125.06052	0.5
125.07095	0.6
125.09607	11.1
126.05426	0.6
127.03912	6.8
127.11176	0.9
129.06989	1.3
129.10220	2.7
130.04999	1.0
131.08545	9.9
133.10114	8.3
135.08038	38.1
135.11653	4.8
136.07544	1.9
136.08418	0.5
137.05948	3.1
137.09622	2.0
137.13249	1.6
139.07509	1.0
139.11188	3.9
142.07716	0.5
143.08537	1.5
143.10739	0.5
144.08113	0.6
144.09259	0.8
145.04944	1.5
145.06415	0.8
145.10089	4.3
147.04373	0.6
147.07867	1.1
147.11679	4.7
149.09616	3.0
149.13225	4.3
151.11160	3.4
153.09105	4.5
153.12718	3.2
155.08315	0.6
155.10654	1.1
155.11806	0.8
157.10057	1.1
157.12230	1.0
158.10901	2.0
159.02872	1.4
159.11621	2.8
161.05998	0.8
161.09651	0.8
161.13194	2.4
163.11142	1.5
163.14809	1.4
165.12773	2.9
167.14357	0.8
167.39624	0.5
169.12236	1.9
171.02837	1.0
171.11603	1.1
171.13773	1.4
173.09612	0.8
173.13237	14.6
175.14815	1.1
176.11902	0.8
177.12668	1.0
177.16420	0.7
179.14246	0.9
181.12115	0.5
183.14963	0.7
185.13263	0.6
187.07422	0.7
187.11047	0.9
187.14677	1.4
189.16374	2.0
191.14282	65.3
192.14656	0.8
197.13057	0.6
200.13904	0.6
201.03917	10.7
201.16382	1.1
203.17958	0.9
205.15977	0.6
207.17426	0.6
209.15340	60.7
213.03789	0.6
213.16304	0.7
215.10599	0.6
217.15904	0.5
217.19476	0.5
219.04961	9.6
220.16930	3.0
222.18510	1.6
228.13300	0.7
231.04945	0.6
233.11427	0.5
237.18414	0.6
238.17995	6.9
238.68105	1.5
239.18587	2.6
239.68939	0.7
240.19553	5.6
241.19800	1.3
246.17761	0.6
256.19052	0.9
260.34235	0.5
269.22604	0.8
272.14984	0.6
275.23715	1.4
287.23712	3.7
293.24719	3.6
299.13797	1.0
300.14786	0.7
305.24698	11.2
311.12735	0.6
311.25787	1.4
323.12875	0.6
323.25760	8.2
341.26794	3.1
342.13379	0.5
477.36496	1.9
491.34598	0.8
520.65656	0.5
571.23364	0.5
589.25275	1.9
589.32861	0.9
589.34674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01874	7.8
55.05505	6.9
56.05033	1.5
57.03417	4.4
57.07064	4.8
59.04997	1.9
60.04518	1.7
67.05489	12.9
68.99788	1.3
69.03423	17.0
69.07060	14.0
70.06589	16.9
71.04995	7.3
72.08141	3.1
72.82996	1.2
73.02895	3.4
78.91810	1.0
79.05480	8.1
81.03411	5.3
81.07049	24.5
82.06570	1.6
83.04974	2.5
83.08605	4.3
84.04472	1.8
84.08134	5.1
85.02894	20.4
85.06525	7.5
86.09698	10.0
87.00823	12.1
87.04451	1.9
88.03969	1.7
89.05999	2.6
91.05471	9.4
93.07036	13.5
94.06535	1.6
95.04964	10.9
95.08592	16.4
96.08102	1.4
97.02885	24.0
97.06518	5.0
99.04430	3.5
99.08080	2.7
102.23208	1.2
105.01871	7.4
105.07009	14.7
105.41666	1.2
106.61355	1.4
107.08583	18.8
108.08112	2.8
109.02867	4.6
109.06503	100.0
109.10143	32.0
110.06053	1.5
110.07125	1.4
110.64823	1.2
111.08059	6.9
115.03931	16.8
115.05459	1.3
117.07059	2.6
119.08559	7.8
120.08072	6.2
121.06487	2.8
121.10130	10.9
123.08046	13.6
123.11689	5.4
125.09619	8.8
127.03881	7.4
129.10225	2.5
130.04933	1.5
131.08551	19.0
133.08553	3.1
133.10120	46.4
134.56773	1.3
135.08037	36.0
135.11621	6.1
136.07524	1.8
137.09604	1.9
137.13171	1.4
139.11188	3.3
143.08559	3.8
145.04974	1.9
145.10101	8.1
147.11665	5.4
149.09598	5.0
149.13210	7.3
151.11205	5.5
153.09088	3.5
153.12770	2.6
157.10101	3.3
158.10927	2.6
159.02866	2.8
159.09154	1.8
159.11694	3.4
161.13211	1.7
162.05475	1.4
163.11182	1.5
165.12711	1.7
169.12225	2.6
171.11684	2.3
173.13254	32.5
175.11198	4.3
176.11537	1.7
185.13181	2.0
187.07124	1.4
189.16403	2.4
191.14287	75.9
192.14619	1.8
197.13193	1.5
199.14931	1.4
201.03946	8.6
201.16248	1.7
209.15355	61.4
209.17360	3.0
217.19591	1.4
217.28397	1.3
219.04936	7.9
220.16966	4.9
222.18417	1.7
229.88751	1.6
237.18486	1.5
238.17981	17.2
239.18665	3.1
239.68970	2.2
240.19536	7.4
287.23557	2.4
297.86795	1.3
305.24646	11.1
305.67233	1.3
314.17557	1.6
323.25769	8.8
341.27124	2.4
475.35062	12.5
477.36768	1.5
491.34503	2.5
574.22150	2.0
589.24329	1.7
589.37830	5.0
593.36359	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	588.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05025	1.9
57.03435	0.3
57.05808	0.2
57.07112	0.1
58.06601	0.2
59.05001	0.2
60.04506	0.3
61.01122	0.2
66.30358	0.1
67.05490	0.7
69.03409	0.5
69.07059	6.3
70.06583	6.8
71.04980	0.8
71.06908	0.4
71.65290	0.1
71.65733	0.2
72.08141	1.7
74.06069	3.0
77.08150	0.2
79.05477	0.6
81.03397	0.5
81.07042	1.6
82.06577	0.3
84.04496	1.8
84.08128	1.3
85.02889	1.1
85.06544	0.2
86.09694	100.0
87.10014	0.9
87.75990	0.2
88.03994	0.5
89.06049	0.2
91.05462	0.8
93.07026	0.7
94.06546	0.2
95.04956	0.4
95.08593	0.8
96.08114	0.4
97.02887	0.4
97.06495	0.3
97.07643	0.2
98.06026	0.8
99.04446	0.2
99.05531	0.2
99.08154	0.1
99.76657	0.1
101.07140	0.4
102.05530	0.9
104.05329	0.5
105.01820	0.2
105.07021	0.6
107.08569	0.3
108.08099	0.3
109.02849	0.3
109.06498	0.3
109.10130	0.4
110.06059	0.2
110.07163	0.7
114.09161	0.2
115.08659	0.2
116.07057	0.8
119.08579	0.3
120.08083	1.5
121.10155	0.3
123.04378	0.2
123.11732	0.3
126.05498	7.5
127.03941	0.3
127.08656	0.3
129.06808	0.1
129.10246	0.8
130.04993	0.7
131.08563	0.3
132.08043	0.2
133.10130	0.4
136.07565	0.5
137.05963	0.4
139.07599	0.2
140.10583	0.2
141.10211	0.4
141.12703	0.5
142.03204	0.1
144.06546	0.5
145.09933	0.3
147.04352	0.3
148.06020	3.0
149.09644	0.2
153.06577	1.2
154.08615	0.2
155.14273	0.3
156.10211	0.2
157.10231	0.2
157.13341	4.2
159.09174	0.5
159.11681	0.2
162.05540	0.2
163.03827	0.2
169.09650	0.9
175.07564	0.2
181.06084	0.2
183.14873	0.3
185.09219	0.3
185.12796	0.9
187.10823	0.2
187.14438	0.3
196.06038	0.3
197.09189	14.9
198.09473	0.2
199.18071	1.0
201.12267	0.9
201.16504	0.2
208.06033	0.2
213.08691	0.1
213.15944	0.2
215.10251	5.2
215.12151	0.3
215.13860	0.5
217.08258	0.2
220.16905	0.7
221.17308	0.2
222.18513	1.0
227.17473	1.6
229.11743	0.5
229.15700	0.2
238.15518	0.4
238.18015	1.3
239.18613	0.6
239.68948	0.2
240.19582	3.2
241.19917	0.7
243.13481	0.5
245.07651	0.3
256.19067	0.3
261.14426	8.0
262.14822	0.2
266.14917	0.2
282.18140	0.8
298.21252	0.5
300.19141	13.7
301.19373	0.2
305.23428	0.3
310.17499	0.5
313.11749	0.2
323.24368	0.3
328.18625	32.4
329.19052	0.5
342.11871	0.2
344.14569	0.2
356.21902	0.2
357.77313	0.2
358.15997	0.5
373.13907	1.0
374.14343	0.4
374.22891	0.8
441.27063	4.0
445.26398	0.3
475.35043	0.2
477.36533	0.3
479.38324	0.6
480.38733	0.6
552.35345	0.2
588.25769	0.3
588.35754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.4
57.07066	75.7
59.04718	1.3
59.04995	17.1
67.05487	1.2
68.13761	1.1
69.03414	2.7
69.07041	3.2
71.08622	70.3
71.40962	1.3
71.41275	2.0
73.06542	2.9
77.13764	1.2
81.07066	2.0
83.08597	3.0
85.10172	64.4
86.06059	7.8
86.09693	1.9
87.04457	33.4
89.06017	100.0
97.10133	1.3
99.11727	6.2
103.07545	6.6
104.07091	42.0
107.07066	3.5
111.11662	1.1
117.09101	4.4
117.96667	1.0
121.10178	1.1
130.08624	4.8
131.07025	4.3
133.08583	79.9
141.16354	6.7
175.09631	4.5
177.11198	44.7
179.12718	1.1
179.98312	1.2
184.07307	4.3
199.20515	10.4
221.13850	9.4
239.14882	3.6
243.23218	6.6
264.91898	1.0
265.16577	1.8
283.17499	6.5
311.25842	5.4
327.19958	5.7
353.21619	2.8
371.22684	31.0
410.58047	1.2
411.25821	3.8
415.25320	3.8
569.42511	6.4
585.69122	1.1
586.45282	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	587.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71382	1.1
53.03938	2.7
55.01864	4.0
55.05502	13.3
56.05033	1.6
57.03411	3.5
57.07069	7.9
59.04989	2.9
61.02915	1.2
65.64101	1.3
67.05495	41.3
69.03421	25.5
69.07059	25.0
70.06584	25.0
71.04983	8.8
72.08158	6.5
73.02904	2.8
79.05475	13.8
81.03403	11.6
81.07046	87.4
82.07375	1.6
83.04964	7.3
83.08613	9.1
84.04492	3.9
84.08139	9.7
85.02894	20.7
85.06527	18.4
86.09705	15.5
87.00813	8.1
89.06026	1.6
91.05465	9.9
93.07030	21.7
94.06536	2.4
95.04971	6.3
95.08597	35.0
96.08113	1.8
97.02878	6.7
97.06530	10.5
97.10162	6.4
99.04427	9.4
99.08092	7.1
102.05548	1.3
104.05300	1.4
105.01860	4.8
105.07016	14.9
106.06521	1.0
107.08578	23.0
108.08127	1.8
109.02870	10.0
109.06503	10.4
109.10142	74.3
110.07160	2.0
110.09666	2.1
111.08073	7.1
111.11687	1.8
113.05981	1.6
113.09645	2.6
115.07501	1.3
117.07020	3.1
119.08581	15.3
120.08104	7.1
121.06504	3.0
121.10135	20.3
122.09660	2.0
123.08067	9.3
123.11691	100.0
125.06008	1.5
125.07101	1.5
125.09595	12.8
127.03915	13.9
127.07555	1.4
127.11173	4.4
129.10219	5.2
131.08571	6.0
133.10115	11.8
135.08073	2.6
135.11671	6.1
136.07553	3.4
137.05952	2.2
137.09598	14.2
137.13240	5.5
138.05435	1.6
138.09117	1.6
139.11165	8.6
141.05461	3.3
141.10225	1.2
141.12686	1.5
143.08600	3.3
143.10658	7.6
145.04955	3.7
145.10089	9.0
147.08012	1.7
147.11696	9.6
149.09595	5.4
149.13269	9.7
151.11162	5.5
153.09070	1.8
153.12733	3.8
155.08517	1.9
155.10654	9.0
157.10095	3.6
159.02904	3.4
159.09152	1.7
159.11661	7.6
161.09604	3.8
161.13232	5.6
163.11162	5.1
163.14842	2.7
165.09120	4.3
165.12730	6.1
167.10579	1.8
169.10068	2.3
169.12149	2.1
171.11638	3.6
173.09572	1.8
173.11743	2.8
173.13191	5.4
175.11169	2.5
175.14775	4.2
177.12738	4.4
177.16411	3.5
179.10634	1.5
181.12215	1.5
183.10185	14.3
183.11633	2.3
183.13727	1.7
185.13231	3.0
187.14691	5.8
189.12744	3.3
189.16383	3.0
191.14291	3.0
193.15851	1.6
195.11722	1.8
195.13727	1.4
199.10982	1.2
199.14879	2.4
201.11147	7.0
201.12779	2.3
201.16368	5.9
203.14282	8.3
203.17851	1.7
205.15839	5.4
207.17432	1.3
208.07561	1.3
209.15335	3.3
211.14798	3.9
213.12631	2.9
213.16269	2.5
214.12242	1.6
215.14209	2.4
215.17992	3.1
217.15842	2.3
217.19547	2.1
219.17424	5.0
220.16943	4.1
221.15414	1.9
223.16884	6.5
225.16570	1.3
229.15805	1.7
231.13956	1.3
233.18980	2.5
235.16978	2.8
237.18469	11.5
238.17992	8.4
239.18684	3.8
240.19545	5.7
241.19839	1.4
243.17148	1.5
245.18828	1.3
247.16719	1.6
251.16443	2.0
251.20024	12.9
255.20793	1.6
263.19913	1.6
267.21149	2.3
272.11591	1.7
273.22061	6.2
278.83862	1.3
285.12347	2.9
285.22086	9.2
291.23163	12.9
303.13351	4.0
303.23141	33.8
305.24673	1.2
309.24158	17.0
321.24231	35.8
339.25311	15.0
429.26334	2.2
491.33789	1.4
533.26947	1.5
569.35687	3.0
587.23779	7.2
587.37585	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	586.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
55.05497	1.0
56.05040	0.3
67.05495	0.7
69.03410	0.4
69.07057	0.6
70.06582	4.9
71.04981	0.3
72.08145	9.3
79.05475	0.3
81.03401	0.4
81.07036	1.3
82.06568	0.2
83.08606	0.2
84.04494	1.0
84.08137	0.9
85.02898	0.7
86.06049	1.7
86.09695	100.0
87.10014	0.4
91.05466	0.6
93.07043	0.7
95.04946	0.4
95.08590	0.8
97.02863	0.3
97.06534	0.2
102.05529	0.6
105.07027	0.5
107.08584	0.7
108.08092	0.2
109.02859	0.5
109.10164	0.5
110.07126	0.4
112.69490	0.2
114.05498	1.5
119.08562	0.4
120.08095	0.7
121.10116	0.2
123.11775	0.2
125.09619	0.3
127.03896	0.4
127.08680	0.5
129.10255	0.6
130.05000	0.6
133.10104	0.4
136.07544	0.4
137.05949	0.3
137.09555	0.2
143.08565	0.2
143.10680	0.3
144.11017	0.2
145.10092	0.3
148.06017	2.7
151.11086	0.2
155.08122	0.3
159.11644	0.3
185.16458	2.2
199.14435	0.8
199.18040	1.3
211.14429	0.3
213.15945	2.3
215.13968	0.2
217.13304	0.4
220.17012	0.4
222.18509	0.3
227.13869	20.8
227.17581	1.2
228.14153	0.2
229.11708	0.3
229.90582	0.2
238.18040	1.3
239.18565	0.4
240.19550	1.0
241.19572	0.2
245.12863	0.3
247.12883	4.5
258.03119	0.2
263.13809	0.3
312.22772	5.2
321.23801	0.3
326.24295	0.5
340.22275	30.4
341.22623	0.6
342.20563	0.3
360.21042	0.7
439.29147	5.1
473.29639	0.5
493.36276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01826	1.8
55.05504	37.2
56.05011	1.5
57.03411	2.9
57.07065	19.4
59.04985	11.2
67.05495	8.6
69.03406	5.7
69.07056	67.1
70.06577	16.9
70.88010	2.4
70.88367	3.6
71.04980	4.6
71.08609	2.9
72.08141	35.2
73.02897	2.0
73.08463	4.9
79.05480	3.5
81.03398	7.7
81.07042	17.3
83.04995	1.5
83.08607	100.0
84.04487	3.4
84.08142	7.4
85.02893	19.2
85.06525	3.4
86.09691	39.6
87.00817	8.4
87.10025	5.1
89.06011	17.6
91.05455	5.5
93.07021	4.6
95.04951	2.1
95.08594	12.3
96.08150	1.5
97.02882	6.0
97.10149	28.0
98.98439	3.3
99.04427	2.9
99.08068	2.1
99.90123	1.3
103.07562	3.4
105.01846	5.5
105.07018	5.2
107.07061	13.5
107.08579	4.9
109.02867	7.9
109.10142	7.8
110.07106	2.4
117.09119	1.7
119.08588	2.2
120.08082	13.1
121.06488	1.6
121.08481	1.8
121.10130	3.5
123.11719	3.6
125.13242	4.1
127.03914	11.2
129.10229	5.0
131.08562	2.5
133.10152	2.1
135.11731	1.5
136.07553	2.2
137.05942	1.6
137.13240	1.6
145.05031	2.1
145.10089	1.7
146.11739	3.1
147.10153	5.6
147.11598	1.4
157.10144	2.3
159.11746	1.7
161.11717	3.0
165.11217	20.5
179.12776	3.5
179.17860	2.3
180.10248	1.8
183.11287	2.3
183.17538	1.5
197.18976	4.6
201.12335	2.0
207.14105	1.6
214.11850	7.2
215.12183	4.1
220.16933	2.3
227.17635	1.5
228.13298	1.6
229.11777	2.6
231.04962	2.1
238.18025	6.8
239.18648	3.9
239.68843	1.6
240.19481	7.0
261.03571	2.3
285.12500	1.6
299.20746	2.2
300.20856	2.0
303.25266	89.6
321.26334	38.4
327.20193	5.9
328.20392	5.4
342.20264	1.7
396.26730	2.5
412.29105	2.3
413.29187	3.8
441.28714	5.8
550.32507	1.4
586.35846	1.9
586.86536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
56.05026	7.4
56.05286	0.6
57.03450	0.4
57.05814	0.4
59.44606	0.2
60.04511	3.6
60.08682	0.3
61.01145	3.2
67.05502	0.6
68.05022	0.5
69.03419	0.6
69.07056	8.3
70.02939	0.5
70.06581	56.1
71.04977	0.5
71.06920	1.3
71.71859	0.6
71.85728	0.3
72.08144	13.6
73.02914	0.7
73.03963	0.3
73.08475	0.4
74.02467	0.3
74.06071	1.0
75.05577	2.2
79.05500	0.4
81.03424	0.6
81.04523	0.6
81.07076	0.4
82.05309	0.7
82.06563	0.4
83.04966	4.4
83.06089	5.2
84.04487	6.7
84.08131	11.6
84.41282	0.3
85.02888	1.5
86.09692	100.0
87.05578	2.1
87.10028	1.0
88.04003	0.5
91.05474	1.9
93.04511	2.9
93.07058	0.5
94.06583	0.4
95.04961	0.4
95.06077	4.7
97.02865	0.8
98.09678	0.6
99.05592	0.4
101.07125	1.3
102.05527	2.1
103.05489	0.4
104.05314	6.0
105.07074	0.3
109.02857	0.4
109.10162	0.5
110.07149	74.7
111.05578	0.3
111.07500	0.7
112.03946	12.4
112.08708	0.9
113.10759	0.3
114.05487	0.4
114.09144	0.7
115.08664	0.8
116.07078	1.7
117.03697	0.5
119.04914	0.9
120.06621	0.3
120.08083	4.8
121.06483	0.4
121.08439	0.4
124.07580	0.5
127.03952	0.4
127.05006	0.8
127.08659	15.7
128.07056	0.6
128.10680	1.5
129.06566	0.6
129.10219	9.6
130.05028	1.5
130.08603	0.5
130.10568	0.4
131.04898	0.7
135.06781	0.4
136.07570	6.7
137.05975	0.7
137.07927	0.4
138.06555	0.5
138.09116	0.4
139.05008	1.0
139.08636	0.8
141.06549	1.1
141.10188	0.6
142.08669	0.4
143.11777	8.6
145.02855	0.7
145.06099	0.4
146.06024	0.4
147.04347	0.6
147.07617	1.2
148.06059	0.5
148.08672	1.1
150.05756	0.4
153.10109	0.7
153.12724	14.7
155.08130	19.0
155.11781	0.7
156.07661	74.7
157.07991	0.7
157.09680	1.9
159.09138	0.7
159.11311	0.3
163.07416	0.3
166.06073	1.6
166.08562	0.4
167.08118	0.7
169.06082	5.3
169.09692	0.4
169.13379	1.8
170.13634	0.6
171.11247	0.9
171.13687	0.4
172.10828	1.2
173.09149	0.8
173.12828	6.5
175.10762	0.9
177.05373	0.6
177.11388	0.6
181.09648	1.5
181.13358	0.6
183.11206	0.4
183.14946	0.8
184.10677	0.4
185.05530	0.4
185.09145	0.6
186.12346	0.4
187.07169	0.9
187.10760	0.7
193.10760	0.7
194.09138	0.8
195.07478	0.4
195.14897	0.6
196.09010	0.9
196.10707	0.4
197.12785	0.9
199.10686	0.7
199.18007	0.4
201.12238	1.0
209.12875	0.3
211.14346	0.4
212.10280	7.7
214.11836	0.6
215.13846	0.4
221.10220	0.9
222.12317	0.4
223.10706	1.2
224.10274	0.5
224.13940	0.6
226.15497	1.6
227.17378	0.4
228.13431	0.4
230.11282	0.3
231.11404	0.6
232.12785	0.4
235.11818	0.9
236.10616	0.3
236.13814	0.7
240.13304	1.1
241.11127	1.2
244.12839	1.1
245.13245	0.6
248.13908	0.5
252.07880	0.7
253.12874	0.8
254.14949	3.8
262.08514	0.7
265.16470	2.6
266.15015	0.7
269.10587	5.0
270.08676	0.4
272.16000	6.0
279.13330	0.4
280.16525	0.4
281.12177	0.4
282.14374	0.4
283.14655	0.4
283.17603	5.1
285.12161	0.4
286.17502	1.1
287.11673	19.3
287.17807	0.9
293.11404	0.4
299.13583	0.4
300.15509	14.9
311.17145	3.4
320.16486	0.3
329.18161	8.4
340.19653	0.4
341.10965	0.3
344.18207	0.5
351.16565	0.4
358.19501	0.4
368.19162	1.1
377.18036	1.4
386.20282	13.1
394.20514	0.8
400.19977	0.7
412.21634	0.7
413.17749	0.4
431.19400	1.7
448.25510	1.5
450.18732	0.4
454.20380	0.7
457.22119	1.6
465.27737	0.7
476.24612	0.7
483.28864	1.2
493.27640	2.8
494.65747	0.3
511.28632	7.0
540.25757	0.6
550.23456	0.5
568.24420	3.2
569.21539	1.3
586.25793	46.4
587.26520	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	585.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86336	0.3
55.05497	1.1
57.03434	0.4
57.07051	0.4
58.06585	0.8
65.03945	0.3
66.57182	0.3
67.05164	0.3
67.05498	4.2
69.03409	0.7
69.07050	1.5
70.06582	8.7
71.02143	0.7
71.02510	0.3
71.04965	0.8
71.37149	0.3
72.08144	1.7
79.05483	2.3
80.04996	0.6
81.03410	0.5
81.07034	3.3
82.06555	1.1
83.04958	0.6
83.08595	0.7
84.04495	0.7
84.08134	1.7
85.02879	1.1
85.06519	0.6
86.09692	3.3
91.05454	2.0
93.07047	1.9
93.27752	0.3
94.06553	2.5
95.04972	0.5
95.08590	4.4
96.08104	0.7
98.09686	0.4
105.07014	2.0
106.06531	0.4
107.07311	1.0
107.08569	1.3
108.08102	2.1
109.06491	0.5
109.10130	1.3
110.07156	0.7
110.09667	0.5
117.06985	0.5
119.08560	1.6
120.08096	3.0
121.08868	2.9
121.10113	0.8
122.09664	4.7
122.33696	0.4
124.11230	1.1
127.03921	0.5
129.10202	0.6
131.08537	0.7
133.08830	0.3
133.10097	1.0
134.09622	3.3
135.10410	1.1
136.07600	0.6
136.10229	0.6
136.11198	7.4
141.12691	0.5
143.08563	0.3
145.10109	0.9
146.09566	0.4
147.04404	0.4
147.11665	0.6
148.11226	1.4
155.14240	0.6
157.99631	0.3
159.09186	0.4
162.12794	0.5
176.14250	0.4
218.19083	0.9
220.16994	1.3
222.18484	6.3
236.16435	0.6
238.17995	3.8
239.18605	0.6
240.19553	21.6
241.09648	1.2
241.20024	0.4
244.16811	0.4
246.18507	7.7
248.20146	0.9
256.19131	0.4
262.18045	0.5
264.19556	33.3
265.19891	0.7
266.21109	6.1
268.22647	0.4
276.16052	0.3
282.20667	1.6
299.10275	1.4
300.11127	1.9
434.08640	0.3
475.35492	0.6
477.36957	0.5
485.37460	0.5
503.38373	100.0
504.38702	5.0
585.22821	0.7
585.36957	0.6
586.24768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67566	0.2
55.05503	2.2
56.05031	1.3
57.05806	0.3
60.04520	1.1
61.01147	0.4
67.05495	0.7
68.05023	0.4
69.03430	0.7
69.07051	0.7
69.78539	1.6
70.02948	0.3
70.06583	100.0
71.04968	0.6
71.06920	0.9
72.04517	0.5
72.08146	26.7
74.06055	1.2
78.03781	1.0
79.05484	0.5
81.03405	0.4
81.07030	0.6
82.06567	0.6
83.04967	0.5
83.06101	0.7
84.04495	5.5
84.08137	5.7
85.02898	1.6
85.06554	0.8
85.08477	0.3
86.06055	0.4
86.09692	7.4
87.05586	0.7
87.10038	0.6
88.02222	0.4
88.03996	0.4
91.05480	1.2
93.07043	0.3
95.04952	0.4
95.08622	0.4
97.02891	0.4
97.07652	0.3
98.06046	1.1
98.21450	0.3
99.04478	0.6
100.07616	0.7
101.07121	0.5
102.03764	1.2
102.05535	7.6
103.03941	0.6
105.07034	0.4
107.08573	0.5
109.02831	0.3
110.06021	1.0
110.07147	2.8
112.08739	0.9
114.05497	0.2
115.08678	0.8
116.07088	2.5
119.04939	0.5
119.08496	0.4
120.04771	0.4
120.08095	2.3
121.10077	0.4
124.07623	0.3
126.05501	1.3
127.03892	0.5
127.08662	1.3
128.07085	1.2
129.05481	0.5
129.06535	0.2
129.10213	3.8
130.04980	0.6
130.08606	0.4
131.06383	0.3
132.04770	0.5
136.07573	2.3
137.06020	0.4
139.08604	0.3
141.06644	0.4
141.10214	0.5
143.07040	0.3
143.11810	0.4
145.02873	0.3
145.04959	0.4
145.10016	0.3
146.05984	0.3
147.04424	0.5
147.07643	0.5
147.11255	0.3
149.07422	2.5
153.10187	0.5
154.08614	0.6
155.08147	6.3
156.07629	0.4
157.09738	0.7
157.13397	0.3
163.03870	1.5
167.06905	0.3
167.08185	0.3
169.13341	37.9
171.11241	0.5
173.09200	9.6
180.06534	0.6
183.07657	3.0
183.14923	1.8
184.15309	0.3
185.09174	0.6
189.12325	3.9
193.12189	0.3
197.12836	21.8
199.10736	0.5
201.06822	0.4
201.08673	7.9
201.12326	0.6
203.10210	0.8
211.14418	0.7
215.13968	0.5
225.17091	0.3
227.10318	0.6
228.13361	0.2
241.13339	0.3
244.09940	0.2
244.12761	0.7
245.18599	0.4
253.16518	0.6
254.14915	1.1
268.16489	0.4
272.16013	0.3
282.14362	1.3
283.18982	0.7
286.17578	71.8
287.17789	0.4
293.11636	5.6
296.15979	0.4
298.13849	0.4
300.15652	1.9
301.20053	0.8
303.09705	1.0
316.13928	1.0
319.21194	0.4
326.17053	0.5
354.20093	0.3
357.21432	0.3
358.19693	0.5
379.19827	0.3
384.26013	0.3
385.24438	1.9
387.22659	0.5
397.20081	1.3
397.24545	0.8
405.16870	0.9
413.23956	0.3
423.13950	0.9
450.26984	1.0
455.17221	0.4
471.81958	0.2
478.26575	1.1
496.17969	0.3
496.27240	1.6
506.17810	0.3
567.29779	0.7
584.79352	0.3
585.21802	0.5
585.29871	2.9
585.36835	0.9
585.81305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20919	0.3
66.90788	0.3
69.50165	2.6
70.06567	0.7
74.96349	0.2
83.08626	0.3
86.09699	0.3
93.07053	0.3
94.06551	0.3
95.04945	0.4
99.74363	0.3
108.08092	0.7
114.36645	0.3
120.08060	0.5
121.08825	0.4
122.05967	0.3
122.09654	0.4
124.07603	0.3
126.12357	0.3
131.08502	0.4
132.07991	0.4
134.06004	0.5
134.09639	0.4
136.07545	0.6
144.08017	0.3
145.07643	0.3
146.05971	0.3
146.09668	0.4
149.02333	0.9
156.08076	0.4
158.09613	0.3
159.09167	0.4
160.07504	0.5
164.07040	0.3
166.08711	0.4
168.08017	0.3
172.11263	0.4
174.09140	0.3
180.07973	0.3
182.09663	0.7
183.09167	1.1
184.09819	0.4
184.11270	0.8
185.10638	0.3
189.10197	0.9
190.10942	0.5
193.04956	0.9
195.09146	1.1
196.07446	0.3
196.09909	1.1
197.10646	2.3
198.11436	0.6
199.08473	0.3
199.12305	0.8
204.08932	0.4
207.09106	0.3
208.11267	0.4
209.10722	5.7
209.12553	0.5
210.11418	3.4
210.12886	0.3
211.08690	1.2
211.12253	4.2
212.09183	0.5
212.12997	1.6
213.10187	1.1
214.10823	0.5
215.11736	0.3
221.10605	0.4
223.08595	0.5
223.12163	1.4
224.09453	0.8
224.12926	0.6
225.10161	4.6
225.13760	0.7
226.11008	1.2
227.11703	3.4
228.12505	0.5
228.23251	0.5
229.13344	1.0
231.11269	0.3
236.10915	0.4
237.10188	4.7
238.10904	3.4
239.11745	4.6
240.12534	3.3
241.09726	0.6
241.13208	1.4
242.10213	1.5
243.09129	0.3
243.11246	1.4
243.14735	0.3
251.11798	2.1
252.12512	0.7
252.81491	0.3
253.09650	0.6
253.13321	2.1
254.14081	0.6
255.11293	1.1
255.14941	1.0
256.11896	1.8
257.12857	0.9
263.11673	0.3
267.11279	0.8
269.12827	3.8
270.09924	0.6
270.13306	0.4
271.10800	2.8
271.14423	7.4
272.11414	0.8
272.14563	0.4
273.12372	0.8
276.12219	0.4
279.11148	1.3
281.12900	1.8
283.10767	1.2
283.14188	0.6
284.11426	1.7
285.12222	2.1
286.13007	2.7
287.13882	1.0
288.14523	0.4
295.10803	0.6
297.12283	33.8
298.12631	1.9
299.13843	33.5
300.14297	1.1
301.12082	1.3
301.15604	1.8
302.12967	0.7
302.16357	0.4
314.12854	0.7
315.13693	0.6
316.14365	4.0
316.17822	0.6
317.15170	1.2
318.15994	0.5
328.14456	1.8
329.15228	1.1
330.15964	4.4
331.16779	3.9
332.17413	1.4
342.16226	0.4
343.16873	0.5
344.17490	11.6
345.18201	1.3
346.19125	2.8
351.16907	0.4
356.13739	0.5
360.20676	4.1
370.15439	0.4
372.17007	0.5
376.16495	0.9
384.17267	0.4
385.09161	0.7
386.18829	0.4
388.16544	0.5
390.18008	3.2
394.18405	0.4
402.18103	0.7
403.18942	1.3
404.19537	5.6
405.20087	0.5
409.16064	0.3
418.21167	0.6
419.21957	0.9
421.16968	0.5
423.18204	0.6
430.16956	0.4
435.17972	0.4
436.19376	0.5
437.19556	1.8
438.20578	0.6
445.19946	0.6
448.18866	0.6
449.19971	0.5
450.20474	0.6
451.21426	0.8
452.21921	0.8
453.23090	0.7
462.20187	11.6
462.26590	0.6
463.20865	7.3
464.21558	1.1
467.24442	1.2
497.21872	0.7
498.22153	0.4
511.23389	0.6
512.23615	0.3
525.25201	0.7
526.25183	0.5
541.27777	0.4
567.25946	1.2
570.24567	0.5
585.26959	100.0
586.27441	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	585.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17990	0.7
67.05506	0.7
70.06571	1.1
70.68293	1.7
70.68660	1.1
79.05493	0.7
94.06570	0.8
120.08133	0.8
145.07663	0.9
159.09189	1.1
160.02437	0.8
160.07545	0.8
172.11221	0.7
182.09726	0.8
183.09186	1.9
185.10664	1.1
189.10303	0.8
196.09894	0.8
197.10710	3.4
209.10724	6.3
210.09653	0.8
210.11540	2.9
211.08556	1.0
211.12297	3.8
212.13130	1.1
213.10030	0.8
223.12415	0.9
224.09361	0.8
225.10170	4.7
225.13756	1.2
226.10942	0.9
227.11783	2.4
229.13393	0.9
237.10161	4.2
238.10912	4.1
238.17909	0.9
239.11795	5.4
240.12573	2.6
241.13222	1.7
242.10591	1.4
243.11432	1.1
251.11879	1.0
253.13458	1.9
255.11296	1.5
255.15031	1.0
256.11972	1.6
267.11417	0.8
269.12881	4.6
271.10757	2.5
271.14468	7.8
273.12094	1.0
279.11615	0.8
281.12930	2.3
283.10681	1.1
284.11560	2.1
285.12375	2.4
286.13318	1.3
287.14063	0.8
297.12292	33.8
298.12918	1.1
299.13858	35.0
301.12201	1.6
301.15332	1.0
302.16501	0.8
314.12842	1.7
316.14435	4.2
317.15350	1.3
328.14554	1.5
330.15939	4.8
331.16861	5.1
344.17545	13.1
345.18491	1.0
346.19104	2.8
360.20670	4.1
376.16382	0.9
389.17468	1.1
390.18027	3.9
404.19647	5.5
433.22064	0.7
437.19458	1.4
448.18704	1.0
452.22272	1.2
453.22549	1.5
462.20193	13.9
463.21008	8.7
464.21738	1.2
497.21844	1.7
525.24884	0.9
567.25598	1.3
585.27020	100.0
586.27368	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	585.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01856	6.1
55.05497	6.9
56.05013	3.0
57.03413	3.7
65.02619	1.5
65.03916	2.4
67.01842	2.1
67.05493	12.3
69.03416	10.4
69.07054	16.7
69.82446	2.8
69.82853	6.8
70.06584	47.4
71.04961	2.3
72.08140	10.0
73.02908	1.7
74.06068	2.1
79.05481	32.5
81.03423	6.4
81.07040	55.5
83.01277	1.5
83.04961	9.7
84.04496	6.9
84.08125	11.3
85.02897	15.1
85.06522	4.4
86.09693	27.9
87.00785	2.3
87.10033	1.6
91.05463	17.9
93.06483	1.9
93.07031	25.2
94.06524	1.9
95.01316	29.5
95.04949	18.4
95.08595	11.6
96.08111	2.3
97.02869	4.0
97.06517	28.7
97.10136	1.4
98.21629	1.4
99.04417	1.5
99.08027	1.5
99.88599	1.3
102.05534	1.7
103.05447	3.0
104.05300	1.3
105.01826	1.4
105.07015	35.7
107.04938	13.3
107.08572	23.4
108.08092	2.9
109.02894	2.1
109.06504	52.6
109.10145	3.6
110.07120	2.5
111.04423	1.7
111.08067	3.2
112.08699	1.4
113.02336	6.4
113.05981	1.7
115.05429	1.9
115.07543	2.5
117.07011	13.7
119.04937	4.9
119.08575	14.2
120.08107	12.1
121.06487	25.7
121.10114	14.2
122.09624	2.5
123.04413	2.4
123.08109	2.0
123.11683	2.5
125.05970	12.1
125.09608	3.2
127.03887	3.5
127.07523	11.5
127.08626	6.0
129.01814	6.0
129.06993	7.0
129.10236	6.7
130.07724	5.6
131.08543	17.8
133.06480	12.1
133.10086	6.9
134.05861	1.2
135.04378	3.5
135.08052	6.8
135.11659	10.5
136.07585	6.2
137.05005	2.0
137.05963	19.3
137.09625	2.4
139.07518	2.0
139.11142	1.6
141.01811	30.2
141.05424	2.1
141.06927	4.0
143.08530	11.2
143.10629	2.2
143.11684	1.4
144.05615	1.6
144.09303	6.2
145.06480	9.9
145.10103	67.2
146.07249	1.5
147.04370	1.7
147.07993	2.7
147.11699	6.7
149.09608	3.9
151.11162	2.3
154.07745	4.5
155.06973	4.2
155.08272	6.5
156.09377	2.3
157.06458	2.3
157.10043	3.8
158.07233	6.6
159.02913	2.3
159.08031	11.1
159.09142	1.8
159.11668	42.4
161.09554	2.2
161.13214	2.7
163.11153	100.0
165.09018	1.6
169.10115	12.3
171.08017	3.0
171.11636	5.9
172.08789	4.2
173.09592	59.3
177.03932	15.6
183.14874	1.9
185.09503	1.9
187.11150	81.4
188.11456	2.3
189.12688	8.9
191.10645	31.1
197.09598	9.6
197.13029	1.5
198.07684	1.9
201.03889	7.1
201.12419	2.0
205.12202	12.3
209.11642	2.8
211.14496	1.4
213.03831	1.9
213.10263	3.5
215.10637	79.9
216.11076	2.7
217.08879	1.3
220.16893	8.7
221.17252	1.8
222.18555	3.4
227.08119	1.9
229.11958	1.5
230.16408	1.9
233.11679	59.9
238.17996	17.6
238.68050	4.6
239.08011	2.4
239.18658	6.6
239.68771	1.7
240.08940	4.0
240.19565	12.2
241.09689	23.4
251.12759	4.8
255.08620	1.9
256.19116	2.0
267.08597	2.4
269.13757	5.3
283.08182	3.3
285.09531	2.6
295.08041	4.3
299.06903	1.6
299.10233	28.5
300.11008	35.8
301.21597	2.7
313.09000	2.1
316.18304	2.1
318.76898	1.3
319.22565	4.6
325.18732	6.8
325.68887	5.9
337.23685	1.8
339.14117	3.8
349.12744	7.2
363.14249	8.0
367.13565	1.5
373.12787	13.9
391.13818	31.5
409.14771	14.7
475.35236	2.0
477.36700	2.9
539.22815	2.0
567.16791	5.6
585.23767	16.6
585.38110	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	585.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12497	0.6
53.03933	1.6
55.01875	3.6
55.05491	2.9
56.05011	1.1
57.03419	1.6
57.07057	0.7
65.03924	1.4
67.01851	0.9
67.05489	5.4
69.03418	6.2
69.07056	8.7
70.06583	15.6
71.04973	2.7
72.08154	4.4
76.84955	0.7
77.03904	1.2
77.91067	0.6
79.05053	1.2
79.05482	15.5
81.03381	1.8
81.07046	21.9
83.04969	5.7
84.04460	1.5
84.08127	4.3
85.02898	7.4
85.06526	1.8
86.09693	22.5
87.00790	0.9
87.04465	0.8
87.10057	0.7
91.05464	9.6
93.07030	14.2
94.06513	0.7
95.00747	1.3
95.01317	15.0
95.04955	10.0
95.08591	4.4
95.70316	0.7
97.02872	2.3
97.06518	14.0
99.04433	2.1
101.05986	0.7
101.07146	1.6
103.05462	1.1
105.07018	23.9
107.04932	9.5
107.08575	16.0
108.08112	1.3
109.02850	1.7
109.06500	18.0
109.10141	2.5
110.07115	1.6
110.09698	0.8
111.00783	0.6
111.04414	1.1
111.08051	1.6
113.02368	2.9
115.05503	1.1
115.07547	1.2
117.06992	9.0
119.04906	3.2
119.08559	7.9
120.08060	3.3
121.06483	16.9
121.10130	6.1
122.09729	0.7
123.04424	2.1
123.08019	1.0
125.05957	6.5
125.09659	1.3
127.03883	1.6
127.07552	4.4
128.06203	2.5
129.01796	2.4
129.06973	3.8
129.10252	1.4
130.07776	3.7
131.08556	9.2
132.10185	0.7
133.06479	13.7
133.10115	4.0
135.04416	1.9
135.08015	1.7
135.11673	5.0
135.21643	0.6
136.07532	2.4
137.05971	7.4
137.09659	1.6
138.09125	1.8
139.07521	1.7
141.01814	14.8
141.06946	2.4
143.08563	4.7
144.09309	3.3
145.06477	3.9
145.10101	44.9
147.07988	1.5
147.11670	5.2
148.08772	1.0
149.05937	1.2
149.09518	1.3
154.07739	1.9
155.07025	1.7
155.08482	2.4
155.11810	1.1
155.14314	0.7
157.10057	2.5
158.07213	4.3
159.02899	1.1
159.08017	7.4
159.09093	0.8
159.11668	23.0
161.09599	1.2
161.13275	1.6
163.11156	100.0
164.11432	0.8
169.10110	7.7
169.13338	1.9
171.08089	1.6
171.11641	4.1
172.08798	2.9
173.09599	36.2
175.07571	0.7
177.03926	5.4
177.12735	1.4
179.08505	1.2
182.07208	1.0
183.11488	1.2
185.13158	0.9
185.16498	0.7
187.02391	0.8
187.11157	45.5
189.09006	0.8
189.12718	3.9
191.10645	24.8
197.09625	4.5
197.12918	1.8
200.14088	0.9
201.03928	10.1
205.12224	8.6
207.13754	0.7
209.11714	2.9
213.04036	0.8
215.10646	45.2
216.10968	0.9
220.16949	1.7
221.02727	0.7
222.18454	1.6
223.96956	0.7
227.01981	0.7
228.13409	1.3
233.11687	50.9
237.10173	0.8
238.17952	5.0
238.68073	1.0
239.18665	2.0
240.19574	4.9
241.19743	0.7
242.15009	2.0
251.12727	6.1
269.13824	6.1
279.11206	1.2
283.07953	1.1
295.08127	1.7
297.09439	0.8
297.12372	1.0
301.09189	1.2
301.21509	0.8
319.22565	1.9
326.12033	0.9
337.23660	1.0
341.21826	2.1
342.23895	1.6
344.13498	1.1
345.13406	1.3
349.12723	2.2
355.23163	2.3
363.14398	4.9
367.13727	2.3
373.12799	7.9
391.13818	17.1
409.14868	6.4
426.30884	0.8
448.18622	1.2
454.30295	1.5
460.18512	1.8
477.36353	0.9
523.51654	0.8
549.16028	0.8
567.16833	2.3
585.17859	1.7
585.26190	1.3
585.35291	0.8
586.32257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.6
57.07067	31.3
67.05477	2.5
69.07056	4.5
69.58602	12.2
70.06561	3.6
71.08620	31.4
73.06557	7.2
79.05466	3.2
81.07035	6.5
83.08601	5.5
85.10170	15.3
87.04465	6.3
88.07604	2.5
89.06017	100.0
91.05460	3.1
93.07027	4.9
95.05007	1.5
95.08575	4.4
97.10128	5.0
99.11708	3.1
105.07031	7.9
107.06998	2.6
107.08564	5.7
109.06468	1.5
109.10154	1.9
111.11691	3.6
113.13277	1.5
117.06970	1.9
117.09112	6.4
119.08561	9.7
121.10123	4.1
123.08005	2.3
123.11697	1.3
125.13208	1.7
127.14808	1.7
128.02151	1.3
129.06956	1.9
130.08601	5.4
131.07036	1.8
131.08507	4.2
133.08582	55.9
133.10139	4.1
135.11649	1.4
137.09662	1.3
141.14676	1.2
143.08508	5.1
145.10091	5.5
147.11668	1.8
155.08537	1.7
156.09277	1.3
157.10146	2.8
159.08041	2.4
159.11635	4.9
162.25790	1.4
165.06964	1.4
169.10135	3.5
171.11624	2.5
173.13287	2.2
175.14842	1.7
177.11197	24.7
183.11679	1.8
185.13298	1.8
193.10011	2.0
195.11734	2.0
197.13272	1.9
199.14900	1.4
209.13197	2.4
221.13739	6.0
235.14731	1.6
239.14748	2.3
241.25250	2.2
255.17279	1.6
256.26297	2.8
283.17532	4.3
283.26190	3.1
285.27829	10.7
300.28891	6.4
311.29337	6.3
321.22214	1.3
327.20029	1.9
328.32373	1.6
329.30505	5.2
371.22684	15.9
382.14883	1.4
492.34775	1.8
523.41656	2.0
567.44812	16.5
584.41156	4.1
584.48102	1.3
584.55847	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	584.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	2.9
53.03933	4.5
54.75987	2.5
55.05486	13.3
57.07065	15.2
59.04988	3.1
65.03907	4.1
67.05490	25.9
69.03409	5.7
69.07053	17.6
69.53004	2.4
69.53323	22.4
71.04982	3.7
71.08616	4.3
79.05127	2.7
79.05488	24.3
81.07040	35.6
83.04960	9.8
83.08595	12.4
85.06548	4.9
87.04430	7.1
88.07603	5.2
89.06007	15.1
91.05452	50.6
93.07032	58.1
95.04934	15.1
95.08594	36.9
97.06509	10.2
97.10108	4.1
102.09152	3.7
103.05443	5.5
105.07014	83.7
107.08573	54.6
109.06484	12.0
109.10126	26.7
111.07960	2.8
115.05424	5.3
117.06997	25.9
119.08556	100.0
119.30775	3.0
120.09376	2.8
121.06507	8.3
121.10117	43.2
123.08044	9.0
123.11703	8.5
125.09579	4.0
128.06186	9.3
129.06956	19.7
130.07741	6.4
131.08549	48.2
132.09276	3.7
133.06483	4.3
133.08556	12.4
133.10101	67.6
135.08032	15.8
135.11668	24.4
137.09570	6.8
139.11133	6.9
141.06953	9.1
142.07729	23.7
143.08524	45.6
144.09306	14.8
145.06522	3.6
145.10103	70.4
146.10793	3.4
147.08012	6.5
147.11647	18.6
149.09561	13.9
149.13226	5.6
153.06941	4.0
154.07782	4.1
155.08517	19.0
156.09319	20.7
157.10095	60.1
158.10844	8.7
159.08023	25.7
159.11662	44.6
161.09569	11.8
161.13229	5.8
163.11214	3.1
165.06966	5.6
166.07797	4.9
166.70161	3.3
167.08525	10.5
167.10674	12.2
168.09247	8.2
169.10091	31.1
170.10878	5.5
171.07988	3.4
171.11671	39.3
172.12358	4.9
173.09599	7.3
173.13216	32.0
174.13667	3.5
175.11186	10.3
175.14781	25.1
177.11150	6.8
177.12654	5.8
179.08461	15.1
180.09296	8.3
181.10074	15.9
181.11853	2.5
182.10866	9.9
183.11659	29.6
184.12479	5.8
185.09613	4.1
185.13199	23.0
186.13956	4.3
187.11224	4.3
187.14790	17.4
189.16426	2.9
191.14287	5.1
192.09309	4.2
193.10149	13.9
194.10889	10.3
195.11676	26.4
196.12398	10.6
197.13234	26.8
198.13828	3.9
199.11150	5.4
199.14787	19.8
201.12749	7.3
201.16309	7.7
203.14297	4.9
206.10789	5.8
207.11731	14.1
208.12366	10.6
209.13191	22.7
210.13861	7.9
211.14738	19.6
212.15613	3.2
213.12741	4.5
213.16315	5.7
214.21292	2.9
215.14336	6.3
217.15829	7.0
218.16658	7.5
219.11665	7.8
220.12459	5.7
221.13248	14.5
221.15279	4.7
223.14751	13.7
225.12787	5.3
225.16335	8.7
227.14238	7.6
231.11528	4.0
233.13200	8.3
233.15326	17.8
235.14767	12.3
237.16330	15.0
239.14270	5.0
239.17914	7.3
241.19403	5.0
245.13205	3.7
246.14017	4.2
247.14803	6.9
249.12766	3.1
249.16386	8.4
251.17984	7.5
253.15837	7.1
253.19423	4.0
255.17377	46.3
257.19067	6.9
259.14774	3.7
261.16357	6.8
263.17947	5.0
265.19473	5.9
267.21140	3.6
268.18347	4.0
269.18967	5.2
270.19720	7.9
271.14597	4.6
271.20535	4.0
273.18552	5.4
275.17609	3.8
275.20230	6.4
277.19348	3.6
279.17444	5.3
281.18823	8.7
285.22070	4.9
294.19751	3.7
297.22025	6.7
300.28580	3.2
301.19452	3.9
311.29477	5.7
345.21979	3.2
347.23715	3.4
349.25183	3.1
360.24423	6.6
367.26169	7.7
371.22781	13.5
413.28061	3.1
441.31213	3.5
492.35782	8.0
551.38940	3.8
566.40826	8.2
567.20490	2.9
584.41888	34.5
584.55670	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	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64124	1.6
53.67419	1.7
55.05493	6.0
57.07060	11.4
59.04974	2.2
60.48396	1.6
63.13932	1.5
66.29107	1.7
67.05492	11.2
69.03410	2.6
69.07043	8.1
70.06564	2.4
71.05732	2.1
71.06068	3.6
71.08633	2.8
79.05482	12.8
81.07047	17.2
83.04963	3.1
83.08617	4.0
85.06516	2.9
88.91640	2.0
89.06031	11.8
91.05475	24.0
93.07035	26.0
94.00638	1.6
95.04963	5.5
95.08585	20.5
97.06525	3.3
101.38840	1.7
105.07014	41.3
107.08575	22.3
109.06510	7.0
109.10151	10.3
115.05447	3.1
117.06986	10.8
119.08562	51.8
120.09366	2.6
121.06487	5.6
121.10140	19.4
123.08070	7.8
123.11684	2.1
125.05949	3.3
125.09573	2.8
128.06206	6.3
129.07016	9.7
130.07751	3.3
131.08556	27.9
132.09343	2.9
133.06482	2.8
133.08595	9.1
133.10110	23.4
135.08029	8.2
135.11673	9.9
137.05986	2.8
137.09584	6.0
141.06932	3.4
142.07751	8.9
143.08539	24.6
144.09311	7.2
145.10103	40.4
146.10851	3.1
147.08055	15.5
147.11646	12.2
149.09605	5.9
151.07538	4.4
152.42860	1.7
153.06882	2.4
155.08514	9.8
156.09325	9.6
157.10109	35.1
158.10860	5.8
159.08043	3.7
159.11674	24.9
161.09625	8.0
161.13219	5.5
163.11191	9.9
165.06992	2.3
165.09091	17.8
166.07829	2.2
167.08438	4.5
168.09271	3.1
169.10092	13.7
170.10872	6.2
171.11688	21.1
172.12390	5.4
173.09570	5.3
173.13243	13.9
175.11177	9.9
175.14777	5.6
177.11305	3.5
177.12691	4.0
179.08536	3.7
180.09294	3.8
181.10147	8.1
181.12199	6.3
182.10956	4.9
183.11635	17.9
184.12466	2.5
185.09648	2.1
185.13234	14.1
186.13857	2.6
187.11215	3.4
187.14807	5.5
189.12674	6.8
190.13576	4.4
192.11540	2.1
193.10092	5.6
193.12231	7.5
194.10860	3.9
195.11667	12.3
195.13441	2.2
197.09602	2.3
197.13272	11.3
199.11163	3.1
199.14809	6.2
201.12782	5.4
203.14301	10.4
207.11684	7.1
207.13773	6.7
208.12444	4.1
208.14574	4.9
209.13269	11.7
210.13908	4.0
211.14780	7.8
213.12682	2.4
213.16377	2.7
217.10109	1.8
219.11658	2.6
219.13698	3.5
220.12369	2.4
221.13251	6.6
221.15295	43.0
222.15894	2.4
223.14801	8.6
224.15598	2.4
225.12701	2.1
225.16324	2.8
229.12125	2.4
233.13237	3.3
234.16127	6.9
235.14703	4.8
235.16957	2.4
237.12735	4.7
237.16354	4.7
239.18002	3.1
246.13940	2.5
247.16937	7.4
249.16263	2.8
251.14182	2.3
251.18059	2.8
253.15846	2.3
253.19342	2.1
261.16272	2.6
263.17984	3.9
265.19711	1.8
267.17450	2.2
271.17062	2.5
271.20435	3.4
275.17352	2.0
281.19128	4.6
283.20718	2.1
286.19205	2.6
287.19998	1.9
291.17715	2.2
296.21255	4.1
297.18588	2.5
297.22049	2.5
299.20050	10.2
300.28787	2.2
311.29443	3.9
312.20563	2.6
325.21429	8.4
335.19620	2.0
337.21622	5.6
352.23935	62.2
353.24139	2.1
365.24710	9.2
371.22690	6.7
383.26385	1.7
391.26205	2.3
397.27133	3.8
398.28201	5.1
404.30640	5.4
412.29526	13.3
425.30200	2.9
438.31290	15.2
477.33392	2.2
489.33514	4.4
491.35059	10.9
492.35489	5.7
504.35904	100.0
505.36011	2.5
569.39362	2.7
584.42065	24.2
584.56006	14.7
588.81268	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	584.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03936	4.7
55.05499	16.3
57.07065	10.9
59.04984	3.7
61.41023	1.5
65.03927	1.9
67.05494	21.6
69.03412	7.0
69.07056	21.7
69.34171	4.2
69.34576	15.7
70.06586	1.9
71.04971	2.0
71.08633	2.2
79.05477	25.9
80.06245	1.6
81.06577	3.0
81.07042	39.4
83.04961	7.1
83.08612	6.7
85.06526	6.9
85.10146	2.8
91.04897	2.8
91.05467	48.0
93.07030	59.4
95.04946	13.5
95.08595	37.5
96.08905	1.8
97.06499	6.3
97.10159	1.6
103.05452	4.8
105.07018	79.1
107.07870	3.6
107.08578	54.2
107.09299	3.1
109.06511	9.0
109.10133	25.3
111.08076	4.6
115.05447	5.2
116.06197	2.0
117.07005	21.5
119.08563	100.0
120.09364	5.1
121.06503	7.8
121.10123	43.4
121.10765	1.3
123.08038	7.0
123.11680	9.4
125.09589	4.1
128.06189	11.7
129.06989	16.3
130.07782	8.0
131.08557	50.7
132.09352	3.9
133.06508	1.9
133.10109	63.1
134.10898	1.8
135.08044	13.1
135.11685	20.2
137.09610	7.5
139.11142	2.8
141.06918	8.0
142.07759	18.8
143.08545	42.5
144.09346	9.9
145.06499	1.9
145.10100	75.1
146.80058	1.8
147.08075	9.5
147.11690	19.6
149.09587	13.1
149.13225	4.7
151.07516	2.4
152.07785	1.8
153.06967	2.4
154.07744	3.0
155.08530	17.9
156.09311	17.7
157.10109	57.8
158.10912	10.7
159.08034	27.6
159.11674	42.2
160.08788	4.3
160.12192	2.3
161.09595	14.2
161.13260	9.5
163.11153	6.7
165.06932	4.3
165.09070	3.5
166.07843	3.6
167.08537	13.8
167.10637	8.9
168.09293	6.5
169.10114	33.3
170.10867	13.0
171.07941	2.0
171.11668	32.0
172.12384	5.5
173.09589	6.4
173.13249	31.2
174.13863	2.5
175.11142	9.6
175.14799	18.7
177.12737	3.8
178.07758	2.3
179.08569	13.5
180.09309	6.5
181.10123	20.9
182.10857	11.5
183.11676	32.8
184.12367	5.1
185.09631	3.5
185.13229	24.5
186.13960	5.0
187.11168	5.1
187.14789	17.1
189.12723	6.0
189.16386	2.9
190.13510	5.2
191.08435	1.8
191.14316	5.6
192.09306	4.2
193.10063	14.8
194.10875	9.0
195.11671	24.2
196.12369	8.6
197.09526	3.5
197.13242	28.2
198.13966	3.6
199.11124	6.6
199.14824	15.9
200.15500	2.0
201.12741	5.3
201.16400	6.4
203.14279	7.3
204.70871	1.7
205.10057	2.7
206.10834	6.3
207.11668	14.6
208.12424	6.3
209.09660	2.2
209.13203	27.0
209.15089	3.0
210.13977	6.3
211.11142	3.6
211.14761	16.9
212.15488	2.9
213.12756	7.2
213.16306	5.4
215.14279	5.2
217.15819	4.4
218.10928	3.2
218.16623	5.3
219.11691	6.3
219.17651	2.3
220.12460	8.9
221.13228	12.6
221.15337	8.4
222.13786	4.1
222.31699	1.7
223.11217	3.5
223.14796	16.7
224.15529	2.0
225.12689	4.3
225.16394	9.0
227.14310	5.5
230.10757	2.5
231.11653	4.1
233.13148	7.3
233.15338	20.8
234.14034	2.7
235.14732	12.4
237.12723	2.6
237.16336	12.4
238.13466	2.2
239.14227	3.0
239.17928	9.0
241.15916	5.8
241.19473	3.2
243.17282	1.9
244.12469	1.8
245.13161	5.5
246.13950	2.4
247.14819	7.0
249.16298	7.6
250.16920	2.5
251.17886	6.1
253.15817	5.1
253.19508	2.8
255.17413	41.0
257.18839	8.3
259.14780	5.4
260.15399	2.6
261.16394	6.7
261.71494	1.8
262.16968	2.2
263.17874	6.4
265.19434	8.7
268.18216	4.2
269.18903	5.8
270.19781	10.0
271.20529	4.3
273.18643	2.9
274.17276	2.2
275.17712	4.1
275.20319	4.2
277.19479	4.1
279.17389	4.3
279.21085	2.4
281.18930	4.5
282.19763	2.6
283.20337	2.6
285.18848	2.2
285.22116	4.7
289.19394	3.6
293.18777	2.4
295.20538	4.2
297.21970	9.5
299.20154	3.2
301.19342	2.3
319.20694	3.7
321.22055	3.8
327.20755	2.2
329.22531	3.4
331.24075	2.8
333.22012	2.0
335.23492	2.2
337.25150	2.4
345.22089	5.4
347.23703	3.6
349.25131	5.8
350.25784	2.2
360.24307	6.0
367.26337	8.3
373.25494	3.0
399.26825	2.0
459.32480	2.4
474.35141	2.5
477.32962	2.4
492.35696	7.7
566.40857	12.9
584.41980	50.8
584.51923	2.5
584.56183	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.8
55.05500	12.5
57.07075	10.0
59.04973	3.0
65.03925	3.0
67.05494	15.1
68.65028	1.7
69.03427	4.9
69.06744	1.8
69.07048	11.2
76.92851	1.8
79.05482	15.8
81.07048	23.0
83.04985	4.2
83.08630	10.0
85.06537	6.0
85.42673	1.9
85.75397	2.1
91.05466	25.1
93.07040	35.5
95.04971	6.4
95.08588	27.0
97.06525	9.3
103.05448	2.5
105.07022	46.6
107.08578	34.9
109.06518	5.1
109.10132	17.0
111.08078	4.4
113.09568	2.8
117.07037	10.8
119.08571	60.4
121.06474	3.6
121.10116	36.9
123.08069	10.8
123.11679	7.4
125.09679	2.8
128.06238	5.5
129.07013	6.8
130.07759	5.2
131.08539	23.4
131.09364	2.4
133.10115	31.0
135.08054	5.2
135.11700	13.4
137.09593	9.6
139.11209	3.8
141.06975	3.7
142.07764	13.2
143.08551	26.5
144.09314	2.7
145.10107	41.0
147.08055	8.9
147.11661	12.7
149.09637	6.6
151.07532	7.4
155.08537	11.3
155.10623	5.0
156.09323	11.3
157.10104	31.7
158.10948	4.5
159.08003	2.5
159.11679	23.3
161.09628	6.3
161.13269	8.7
163.11206	5.9
165.07031	2.5
165.09099	13.7
166.07762	2.6
167.08606	5.9
167.10698	4.7
168.09344	7.3
169.10121	16.6
170.10866	4.8
171.11659	19.8
173.09654	2.2
173.13242	16.8
175.11075	3.6
175.14806	10.1
179.08589	6.1
179.14171	2.8
180.09323	4.3
181.10091	11.6
181.12204	10.3
182.10948	7.4
183.11671	21.5
184.12451	3.3
185.13222	15.4
187.14792	6.1
189.12730	5.1
191.14311	6.1
192.09470	3.4
193.10110	9.8
194.10965	7.4
195.11673	16.2
195.13326	2.6
196.12425	5.3
197.13239	20.5
199.14835	9.9
201.12740	2.3
201.16440	2.9
203.14278	4.6
206.10924	3.7
207.11720	11.5
207.13818	7.3
208.12425	5.7
209.13313	20.4
211.14891	9.1
213.16414	3.5
217.15880	4.2
219.11607	4.7
220.12431	3.6
221.13246	11.7
221.15392	25.8
222.13927	4.7
223.14757	9.8
225.12860	2.5
225.14647	4.1
225.16470	5.7
229.15948	3.0
231.11795	3.4
232.12483	2.7
233.13354	3.5
233.15405	14.4
235.14832	7.9
237.16371	6.2
239.17976	5.0
245.13281	3.9
246.13867	2.8
247.14857	6.1
247.17046	3.4
249.16463	6.6
251.17952	4.6
257.18842	3.3
259.14981	3.6
261.16422	3.6
263.18057	6.2
265.19669	5.7
273.16232	2.6
275.17874	4.9
277.19455	3.5
279.21085	3.1
283.20621	6.4
289.19586	3.1
291.21170	2.5
293.18973	2.4
295.20593	3.3
297.22137	3.7
307.20575	4.1
315.21118	2.5
331.24213	3.2
335.23804	3.4
345.26077	2.7
349.25525	3.4
361.25284	4.6
363.26865	3.4
365.24594	3.4
375.26892	2.9
397.28976	3.6
415.30234	2.7
425.30823	2.3
441.71027	2.1
451.64340	2.0
465.14426	2.0
491.35120	50.1
503.34866	3.3
525.36987	2.3
526.40479	2.1
547.39709	3.3
565.40405	19.1
565.74561	2.1
583.41388	100.0
584.41980	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05499	10.0
57.07059	6.5
58.87487	1.0
59.04984	2.9
62.14923	0.9
65.03929	1.6
65.31464	0.9
67.05493	15.7
69.03411	4.9
69.07060	11.8
70.09771	5.3
71.04980	2.1
71.67493	1.0
79.05486	13.3
81.07043	20.5
83.04969	4.3
83.08611	9.8
84.08923	0.9
85.06530	4.1
91.05468	27.7
93.07030	34.1
94.07339	1.5
95.04958	8.9
95.08595	24.1
97.06503	5.9
97.10179	1.8
103.05474	1.4
105.07021	42.6
107.05022	1.0
107.08576	30.2
108.08910	1.5
109.06504	7.2
109.10137	17.0
111.08061	2.4
111.11733	1.6
113.09625	2.2
115.05441	3.2
117.06998	9.7
119.04896	1.0
119.08565	48.3
120.08872	1.5
121.06491	3.8
121.10124	35.9
122.10450	1.8
123.08054	10.2
123.10931	0.9
123.11714	4.4
125.05957	1.8
125.09615	4.3
128.06221	6.0
129.07002	9.3
130.07779	2.2
131.08554	20.6
133.06439	1.8
133.07504	1.1
133.10115	25.5
135.08060	4.4
135.11682	10.9
137.09605	6.5
139.11163	3.3
141.07008	5.0
142.07782	11.9
143.08543	22.2
144.09274	4.5
145.06490	1.5
145.10103	28.7
147.08052	7.6
147.11659	12.0
149.09619	6.4
149.13271	2.6
151.07539	8.7
151.11177	1.8
153.07019	1.8
154.07768	2.5
155.08559	9.6
155.10631	3.6
156.09343	11.9
157.10120	32.2
158.10884	4.7
159.08064	4.6
159.11684	19.8
161.09589	5.4
161.13214	4.8
163.11189	4.2
165.07028	4.4
165.09105	9.2
166.07753	2.2
167.08559	6.1
167.10663	21.7
168.09421	4.7
168.10800	1.2
169.10136	16.2
170.10901	5.3
171.11678	20.8
172.12390	1.9
173.09595	2.9
173.13237	14.8
173.14648	1.0
175.11166	2.7
175.14807	8.6
177.09171	1.0
177.12720	1.6
178.07703	1.1
179.08562	7.0
180.09288	4.2
181.10106	10.7
181.12105	5.8
182.10921	5.9
183.11676	17.1
184.12396	4.0
185.09622	2.0
185.13200	13.1
187.11203	2.3
187.14824	5.0
189.12744	4.5
191.08499	1.6
191.14354	3.5
192.09351	2.3
193.10114	8.4
194.10861	5.8
195.11682	17.4
195.13475	1.8
196.12413	4.7
197.09566	1.0
197.13223	16.8
198.13957	1.3
199.11256	1.3
199.14807	9.9
201.16399	3.1
203.14255	5.6
205.10175	2.4
206.10922	4.8
207.11714	12.4
207.13791	4.0
208.12408	4.8
209.13272	15.3
209.15199	1.6
210.13983	4.0
211.11368	1.2
211.14807	11.4
212.15353	1.3
213.12816	2.2
213.16374	4.1
215.14355	2.4
217.10156	2.0
217.15767	4.7
218.10939	1.7
219.11714	4.4
219.17497	1.3
220.12471	3.2
221.13240	11.4
221.15411	19.0
222.13962	3.4
223.14761	8.5
225.12962	1.9
225.16360	4.9
227.14381	2.8
227.18028	1.3
230.10992	1.0
231.11664	4.2
231.17383	2.4
232.12497	2.8
233.13174	5.5
233.15425	6.0
234.13988	2.6
235.14752	7.2
236.15526	1.7
237.16331	7.7
239.18016	2.0
241.15863	1.8
241.19527	1.3
243.11647	1.8
243.17383	1.4
243.23167	1.2
244.12448	2.1
245.13164	5.0
246.13934	2.0
247.14763	5.5
247.17021	1.5
248.15558	2.8
249.16310	5.4
250.17082	1.7
251.14296	1.7
251.18034	5.4
253.19534	2.1
255.17360	2.2
257.13248	2.0
257.19028	3.7
258.14026	2.1
259.14761	2.8
260.15488	2.2
261.16367	5.5
262.16980	1.2
263.17950	3.6
265.16489	0.9
265.19492	4.4
267.17499	1.6
269.19016	3.7
271.14749	1.7
271.20581	2.7
273.16159	2.5
274.16943	1.4
275.17804	5.8
277.19556	3.6
279.21027	2.6
281.19025	2.9
283.20538	7.3
285.16107	1.8
287.20316	1.6
289.19464	2.7
290.19962	1.4
291.20944	1.6
293.18967	2.2
295.20621	4.1
297.22263	3.2
299.20364	1.4
305.22528	1.3
307.20673	1.7
309.22064	1.8
313.19565	1.4
317.22668	1.4
329.22705	1.7
331.24048	1.5
333.22168	2.0
335.23694	2.4
343.24301	1.3
345.26450	1.1
347.23746	2.7
349.25363	3.6
361.25348	2.4
373.25168	1.4
375.26779	3.1
403.29947	3.6
409.28488	1.2
415.29691	1.3
491.35074	2.9
498.57361	1.1
509.33582	1.4
547.39429	3.1
565.40295	20.1
566.40509	2.3
583.41351	100.0
584.41724	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	583.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
54.11467	2.8
55.05504	22.4
57.07066	16.4
59.04982	5.2
62.86847	2.2
65.03923	4.6
67.05485	22.3
69.03413	7.7
69.07049	26.0
69.46638	28.8
71.04969	2.7
71.08617	5.2
75.87819	2.2
79.05471	27.7
81.07050	33.4
83.04969	7.9
83.08592	13.5
85.06515	6.6
85.10214	2.9
89.06025	5.5
91.05466	49.8
93.07027	61.8
94.07331	3.7
95.04955	11.8
95.08595	32.7
96.35171	2.4
97.06526	10.0
103.05476	4.4
104.24147	2.6
105.07011	65.8
105.07677	5.1
107.08572	52.4
109.06504	9.0
109.10126	24.7
111.08044	3.9
111.11727	3.8
113.09637	6.5
115.05408	3.9
116.06264	3.0
117.06980	18.2
119.08560	75.3
121.06515	4.7
121.10125	59.1
123.08059	11.5
123.11701	7.4
125.09595	6.3
128.06206	7.9
129.06976	17.4
130.07739	7.7
131.08534	31.4
133.06512	4.7
133.08621	3.8
133.10115	49.9
135.08040	9.2
135.11665	14.8
136.01927	2.8
137.09630	7.1
139.11179	6.2
141.06989	6.5
142.07758	23.7
143.08536	41.4
144.09303	8.1
145.10095	49.8
147.08049	11.7
147.11679	15.2
149.09558	12.3
149.13231	2.8
151.07547	8.0
154.07729	3.6
155.08559	13.9
155.10597	3.7
156.09290	20.4
157.10123	48.2
158.10851	10.1
159.08063	4.9
159.11656	29.2
161.09613	7.6
161.13228	7.1
163.11156	7.0
165.06938	6.4
165.09081	16.2
166.07721	3.9
167.08540	11.3
167.10643	43.7
168.09399	7.5
169.10104	23.7
170.10841	9.7
171.11676	26.1
173.09648	5.1
173.13261	28.2
175.11177	5.2
175.14836	9.6
178.07672	4.6
179.08548	11.0
180.09290	6.4
181.10088	15.0
181.12184	3.5
182.10886	10.3
183.11639	25.8
184.12502	4.7
185.13249	13.9
187.14769	6.4
189.12717	4.3
191.14336	6.6
192.09479	4.3
193.10155	13.3
194.10931	7.2
195.11685	16.6
196.12384	6.2
197.13220	19.3
199.14833	12.1
201.16402	6.4
203.08459	2.9
203.14307	5.2
205.10175	4.3
206.10907	9.1
207.11696	16.0
207.13531	3.6
208.12404	13.7
209.13235	29.3
209.15172	3.9
210.13745	3.7
211.14793	11.4
213.12677	3.7
215.14397	5.1
217.10072	3.0
217.15904	8.9
218.10876	4.7
219.11752	7.7
220.12407	6.9
221.13248	15.1
221.15396	20.6
222.13896	4.7
223.14894	16.4
225.16412	7.1
231.11768	8.0
233.13120	8.7
233.15395	14.7
234.13950	3.5
235.14717	14.4
236.15547	3.4
237.16365	5.0
239.17935	6.1
243.11598	5.4
245.13278	5.2
246.14052	4.5
247.14825	11.3
248.15314	2.9
249.16339	7.8
251.17943	6.2
255.17314	4.5
257.13382	4.4
257.19034	7.1
259.14871	8.8
260.15555	4.1
261.16388	11.4
263.17880	3.6
265.19547	10.3
269.19046	4.6
271.14832	3.3
272.15659	3.4
273.16171	4.3
275.17938	9.7
276.18625	3.4
283.20416	12.8
283.75159	2.8
285.18631	5.6
287.17810	3.1
289.19485	7.7
295.06662	2.7
301.19125	3.6
311.20129	3.8
349.25290	5.9
361.25116	3.6
365.24835	2.7
371.23187	2.9
409.28476	3.3
491.35120	6.1
547.39441	3.1
565.40198	17.5
566.76917	2.9
583.41248	100.0
584.41022	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.05505	7.8
57.07066	8.0
59.04994	2.6
65.03925	2.2
67.05495	9.7
69.03432	4.6
69.07056	9.4
69.84797	7.6
79.05482	13.3
81.07043	15.5
83.04971	4.5
83.08595	3.6
85.06531	4.3
91.05464	20.8
93.07034	31.5
95.04964	6.5
95.08598	22.8
95.09175	0.6
97.06503	3.3
98.21448	1.9
103.05455	1.7
105.07016	33.3
107.08573	20.4
107.69023	0.9
109.06495	6.0
109.10149	9.7
111.08050	2.1
115.05434	2.2
117.06992	8.1
119.08565	41.4
121.06495	3.7
121.10119	24.1
123.08054	11.6
123.11681	2.1
125.05977	1.4
125.09601	1.2
128.06207	4.3
129.06993	8.4
130.07762	3.0
131.08551	18.3
133.10109	18.9
135.08014	6.3
135.11661	7.4
137.09599	7.5
139.11128	2.6
141.07002	3.3
142.07759	9.8
143.08543	19.4
144.09300	3.7
145.10104	26.2
147.08017	12.0
147.10672	1.2
147.11674	8.1
149.09622	4.2
149.13281	1.5
151.07532	13.5
153.06996	2.4
153.09053	1.0
154.07770	1.6
155.08545	8.4
156.09357	8.9
157.10110	28.8
158.10873	4.5
158.20981	1.1
159.08026	3.4
159.11671	16.0
161.09581	2.9
161.13213	5.2
163.11122	5.8
165.06973	4.1
165.09082	28.6
167.08559	4.5
167.10619	6.0
168.09366	3.9
169.10112	12.9
170.10893	4.1
171.11665	18.9
172.12424	1.5
173.09566	2.4
173.13248	12.7
175.11234	2.5
175.14856	3.9
177.12784	1.6
178.07745	1.2
179.08510	6.1
180.09297	3.1
181.10112	8.5
181.12230	3.9
182.10895	4.5
183.11667	14.5
184.08861	1.2
184.12451	2.4
185.13243	11.7
187.11185	1.7
187.14803	4.4
189.12791	4.9
191.14305	4.4
192.09355	3.7
193.10089	8.5
194.10883	5.8
195.11670	14.5
196.12476	4.2
197.13235	14.0
198.13976	1.3
199.11163	1.1
199.14798	7.4
201.16327	1.1
203.14305	10.6
204.09357	1.0
205.10103	1.3
206.10893	3.5
207.11687	10.6
207.13812	4.0
208.12518	3.3
209.13266	14.2
210.14012	2.7
211.11235	1.5
211.14841	8.3
213.12747	1.6
213.16400	3.7
215.14334	2.0
217.10077	1.4
217.15799	4.7
218.10913	1.7
219.11729	4.3
220.12479	4.0
221.13246	10.5
221.15379	41.1
222.13966	2.4
223.14815	9.9
224.15529	1.7
225.12752	1.6
225.16379	3.3
231.11725	2.8
231.17371	1.6
232.12471	1.7
233.13246	5.6
233.15297	1.7
234.13992	2.5
235.14757	7.8
236.15508	1.6
237.16364	4.1
238.17378	1.1
239.14247	1.2
239.17953	3.4
244.12410	1.3
245.13211	4.4
246.14006	3.6
247.14783	6.2
247.16978	1.8
248.15588	2.3
249.16351	5.8
250.17136	1.3
251.18015	3.7
253.19489	1.6
255.17392	0.9
257.13211	1.9
257.19095	3.6
258.14020	1.9
259.14862	4.3
260.15485	2.3
261.16348	3.1
262.17050	1.3
263.17914	2.9
265.19589	3.7
269.19080	2.3
271.14835	1.6
273.16205	2.0
274.17126	1.2
275.17773	5.6
276.18811	1.0
277.19467	3.7
279.21179	1.9
281.19116	2.0
283.20587	7.1
285.16193	1.6
286.19397	1.4
287.20331	2.0
289.19458	2.5
291.21243	1.5
295.20596	2.6
297.22147	2.8
303.21005	1.4
307.20450	1.9
309.22137	1.3
331.24158	2.9
333.22134	2.2
347.23618	2.6
349.25201	4.2
357.25943	1.9
365.24786	1.2
375.26624	5.1
403.29962	7.6
491.34747	1.4
503.35364	3.3
509.34348	2.2
529.73560	1.4
547.39362	3.4
565.40302	23.9
583.41382	100.0
584.42041	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05498	9.0
57.04051	0.9
57.07073	4.4
59.04988	2.1
65.03928	1.9
67.05496	13.3
69.03411	4.0
69.07062	9.9
69.74249	3.2
69.74672	3.0
79.05481	14.9
81.07043	20.4
83.04953	6.3
83.08613	5.0
85.06546	5.3
86.09716	0.9
91.05466	25.0
93.07028	32.2
95.04948	6.7
95.08591	20.6
97.06512	3.3
97.10175	0.9
103.05457	1.9
103.77583	0.8
105.06293	2.0
105.07013	39.0
107.08574	29.7
109.06510	5.2
109.10142	13.7
110.10436	1.0
111.08072	1.4
111.11725	1.1
113.09635	1.4
113.21086	0.8
115.05447	2.1
117.07005	9.3
119.08563	40.3
121.06500	3.9
121.10123	33.7
123.08041	11.6
123.11695	4.2
125.05982	1.9
125.09621	2.5
128.06187	5.4
129.06990	9.5
130.07790	4.0
131.08543	17.8
133.06487	1.8
133.10103	24.6
135.08040	4.9
135.11673	9.8
137.09569	4.5
139.11179	2.5
141.06993	3.2
142.07753	10.9
143.08548	20.9
144.09312	3.6
145.10104	29.5
147.08015	6.9
147.11671	10.0
149.09584	5.7
149.13228	2.4
151.07513	8.8
151.09593	0.8
151.11115	1.1
153.06978	2.2
153.12595	0.9
154.07771	1.8
155.05980	1.2
155.08521	7.8
155.10614	1.7
156.09320	9.2
157.10104	27.7
158.10876	4.0
159.08047	3.0
159.11670	16.7
161.09622	4.3
161.13257	5.1
163.11147	4.7
165.06973	2.9
165.09088	11.5
166.07777	2.1
167.08556	4.0
167.10641	19.9
168.09361	4.6
168.10727	0.8
169.10104	15.5
170.10849	6.5
171.08127	1.1
171.11662	18.9
172.12360	1.7
173.09633	3.0
173.13222	11.2
175.11220	2.5
175.14848	6.0
177.09073	1.3
177.12671	1.2
178.07625	1.0
179.08548	7.8
180.09293	2.9
181.10100	10.4
181.12146	4.2
182.10876	5.2
183.11688	14.9
184.12386	2.8
185.09637	1.5
185.13245	12.0
187.11201	1.8
187.14748	4.3
189.12717	3.9
191.08516	1.2
191.14215	4.7
192.09410	2.8
193.10092	7.3
194.10843	6.1
195.11681	13.4
196.12428	4.9
197.13197	14.8
198.13916	1.0
199.14798	7.2
201.12762	2.1
201.16354	3.6
203.14275	5.0
205.10069	1.8
205.15857	1.6
206.10892	4.0
207.11690	11.7
207.13786	6.2
208.12421	4.5
209.13214	15.9
209.15094	1.4
210.13986	2.6
211.11229	1.6
211.14819	7.2
213.12761	0.9
213.16391	2.1
215.12408	0.9
215.14377	3.8
217.10220	1.2
217.15817	5.3
218.10895	3.4
219.11789	4.4
219.17403	1.2
220.12419	3.6
221.13229	9.3
221.15388	19.4
222.13898	2.8
223.14758	8.9
224.15594	2.1
225.12727	1.9
225.16304	4.8
227.14313	1.5
227.17899	1.4
229.10205	1.5
229.15865	1.8
231.11696	2.9
231.17497	1.4
232.12489	2.8
233.13210	4.9
233.15384	8.1
234.13945	3.1
235.14735	6.6
235.16765	1.1
236.15398	2.2
237.16327	6.8
237.26628	0.9
239.17976	2.3
241.15929	2.2
241.19551	1.0
243.11768	1.9
244.12395	1.0
245.13156	4.8
246.14066	3.0
247.14793	5.1
247.16986	1.5
248.15594	2.0
249.16299	5.6
250.17142	0.9
251.17923	3.7
253.19603	2.0
255.17555	2.2
257.13239	1.8
257.19037	4.0
258.14069	1.9
259.14868	4.1
259.20636	1.1
260.15598	2.6
261.16275	5.8
261.18640	1.0
263.17975	4.8
265.16000	1.1
265.19522	4.4
267.17365	1.4
269.19055	4.0
271.14587	1.5
271.20535	1.7
273.16440	2.3
275.17868	5.1
276.18509	1.1
277.19598	2.7
279.17407	0.9
279.21124	1.4
281.18985	1.9
283.20520	7.6
285.16226	1.2
287.20236	1.5
289.19498	3.0
291.20981	1.4
293.18759	1.1
295.20505	2.4
297.22211	1.0
299.17505	1.5
299.20364	1.2
301.19327	1.0
303.20987	1.4
305.18930	1.1
307.20700	2.2
309.22171	1.0
311.17264	1.1
315.21014	1.8
317.22778	1.7
319.20444	1.4
319.24005	1.0
329.22824	2.5
331.24173	3.1
333.22244	1.6
335.23727	1.3
341.22607	1.4
347.23672	1.9
348.24402	1.1
349.19559	1.0
349.25079	5.6
355.24225	1.3
357.25845	2.0
359.23767	1.4
360.24542	1.0
361.25305	3.3
363.26871	1.5
375.26834	3.0
385.28821	1.5
403.29910	4.6
425.28784	1.1
427.30005	1.4
433.87454	1.0
443.29196	1.3
491.34698	2.2
503.35199	1.9
509.34225	1.9
547.39001	4.8
565.40399	20.2
583.41351	100.0
584.41510	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
55.01865	1.6
55.05499	13.4
57.07078	10.0
58.30639	1.4
59.04983	3.3
65.03938	4.4
67.05495	18.4
69.03420	5.4
69.07061	15.8
70.38621	7.3
74.06126	1.4
79.05482	22.2
81.07041	27.8
83.04954	7.5
83.08601	6.5
85.06533	6.0
91.05469	40.7
93.06451	2.6
93.07037	50.8
95.04940	10.8
95.08592	32.4
97.00043	1.5
97.06517	4.6
103.05450	4.6
105.07012	62.1
107.08586	42.2
109.06512	8.8
109.10146	20.5
109.94368	1.6
111.08063	2.7
115.05437	5.9
116.06236	1.8
117.07010	15.3
119.08563	76.0
121.06490	5.0
121.10130	43.0
123.08044	14.2
123.11705	6.8
125.05986	4.0
125.09591	3.0
128.06226	10.6
129.06981	16.1
130.07774	6.9
131.08560	30.9
133.06517	2.9
133.10115	33.3
135.08005	9.3
135.11688	12.8
137.09616	10.6
139.11139	1.8
141.06999	6.9
142.07753	24.9
143.08551	40.3
144.09291	6.4
145.10110	47.8
147.08026	15.8
147.11659	16.6
147.55176	1.6
149.09625	5.9
149.13261	3.5
151.07513	12.3
151.11185	2.0
153.06989	5.0
154.07787	5.0
155.08557	17.5
156.09335	19.5
157.10107	50.6
158.10918	8.7
159.08028	4.2
159.11656	21.1
161.09610	5.5
161.13261	7.7
163.11183	6.5
165.06941	7.2
165.09094	30.8
166.07768	3.1
167.08531	6.6
167.10637	10.0
168.09320	7.8
169.10095	26.4
170.10889	8.8
171.11668	27.8
173.09578	3.3
173.13272	23.6
175.11192	3.8
175.14774	7.8
177.09190	2.1
179.08521	11.0
180.09325	7.4
181.10104	16.5
181.12134	7.5
182.10910	6.5
183.11673	26.8
184.12469	4.0
185.09636	2.2
185.13246	18.4
187.11157	2.6
187.14799	7.0
189.12769	4.7
191.08626	2.4
191.14301	9.8
192.09309	4.9
193.10100	13.7
194.10838	13.3
195.11682	22.8
196.12425	6.6
197.09477	1.7
197.13246	21.0
199.11171	2.8
199.14830	14.3
201.12675	3.5
201.16327	2.3
203.14284	13.5
205.10144	4.4
205.15904	2.1
206.10864	9.4
207.11702	20.5
207.13797	4.6
208.12407	5.8
209.13258	23.8
209.15158	2.7
210.13953	2.5
211.14771	12.5
213.12802	2.9
213.16385	3.2
215.14267	3.3
217.10158	3.9
217.15831	13.4
218.10768	3.9
219.11667	9.3
220.12497	9.9
221.13237	19.0
221.15379	60.7
222.14076	4.2
223.14822	15.1
224.15617	3.4
225.12762	2.3
225.16368	6.9
227.14417	3.8
231.11725	7.4
231.17413	4.0
232.12482	5.4
233.13220	9.2
233.15230	2.9
234.14003	5.6
235.14801	13.8
235.16983	2.2
236.15573	3.7
237.16304	8.9
239.17975	3.4
241.15825	1.9
243.11687	2.3
244.12491	2.9
245.13129	7.8
246.13995	4.9
247.14784	9.8
247.17017	1.8
248.15530	1.7
249.16397	10.0
250.17088	2.0
251.17993	4.9
255.17381	1.6
257.13342	2.4
257.19037	6.8
259.14825	4.7
260.15598	5.0
261.16342	8.2
262.17099	2.4
263.17950	6.2
265.19485	11.0
267.17291	1.8
269.18875	4.3
271.14688	2.4
271.20621	3.1
273.16373	6.8
274.17279	3.1
275.17810	13.2
276.18826	2.0
277.19550	4.2
279.17548	1.8
279.20963	2.4
283.20538	18.2
287.20132	5.2
289.19525	6.4
291.20975	2.6
293.18951	2.6
295.20624	3.8
297.22107	4.6
307.20465	2.8
327.21030	1.8
331.24152	8.8
333.22028	3.0
349.25247	8.4
365.24640	2.4
375.26648	7.7
403.29810	5.4
427.29434	2.0
491.35117	5.6
503.35291	5.5
509.34305	2.2
547.39722	2.7
565.40326	20.2
583.41345	100.0
584.41504	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81363	0.2
54.32843	0.2
55.05500	1.8
56.05009	0.6
58.06578	0.4
61.45314	0.2
65.03923	0.2
67.05492	3.1
68.04989	0.3
69.03415	0.4
69.07054	2.2
70.06580	6.9
71.04964	0.4
71.72269	0.3
72.08147	1.8
79.05478	2.0
80.04995	0.7
81.07042	2.7
82.06567	1.4
83.04955	0.2
83.08617	0.6
84.04493	1.0
84.08122	1.4
85.02875	0.6
85.06531	0.3
86.09697	2.1
88.97514	0.2
91.05460	1.1
93.07031	2.1
94.06557	3.1
95.04958	0.4
95.07333	0.2
95.08593	3.1
96.08117	2.0
97.02885	0.3
97.10146	0.7
98.09710	0.2
105.06999	1.8
106.06527	0.6
107.07353	1.0
107.08553	1.5
108.08102	4.5
109.02858	0.2
109.06495	0.4
109.08894	0.5
109.10078	0.5
110.07134	0.6
110.09665	1.2
117.06989	0.5
119.04818	0.2
119.08566	1.1
120.08080	2.6
121.08870	2.0
121.10128	0.6
122.09649	4.5
123.10419	0.6
124.07549	0.3
124.11210	2.0
127.03918	0.2
129.10211	1.0
131.08540	0.5
131.12912	0.2
132.08072	0.5
133.06490	0.3
133.10095	0.7
134.09625	2.7
135.08043	0.3
135.10385	0.8
135.11598	0.3
136.07547	0.6
136.11203	4.5
137.01175	0.2
137.05930	0.2
138.09100	0.2
138.12752	0.3
141.10222	0.3
143.08530	0.3
145.10123	0.4
146.09578	0.4
147.04437	0.3
147.10390	0.4
147.11632	0.4
148.11154	1.2
149.05910	0.2
149.11954	0.2
150.12730	0.3
152.07053	0.2
153.01817	0.2
155.08315	0.2
157.10039	0.2
159.11488	0.2
160.11220	0.4
162.12782	0.5
163.11156	0.2
164.10722	0.3
169.09775	0.4
170.11711	0.3
174.12798	0.3
176.14317	0.2
183.14874	0.4
190.15918	0.5
192.17461	0.4
200.13966	0.2
202.15891	0.5
204.13788	0.2
211.14429	0.2
218.15407	1.6
218.18980	0.8
220.16936	11.0
221.17325	0.6
222.15057	0.2
222.18596	0.9
228.17560	0.2
229.15608	0.2
230.18253	0.4
236.16393	2.9
238.17979	22.1
239.18704	6.2
239.68921	4.1
240.19420	5.3
240.69232	0.9
241.19882	1.1
243.20200	0.2
244.16963	0.4
246.18507	6.3
247.18565	0.9
248.20087	1.9
250.18123	0.2
256.18985	1.3
262.18054	0.5
264.19543	20.9
265.19934	0.6
266.21109	12.2
267.21591	0.4
282.20609	1.7
283.18912	0.2
284.22189	0.4
287.05460	1.2
288.05981	0.5
289.05972	0.6
300.15698	0.2
314.20706	0.5
343.19739	0.3
395.30844	0.2
421.23575	0.3
429.19839	0.2
445.89334	0.2
467.45593	0.2
477.36786	1.6
478.37097	0.5
483.35172	0.3
501.36786	100.0
502.37094	7.5
583.28162	1.4
584.30304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01848	3.5
55.05503	16.1
56.05008	3.1
57.03425	6.6
57.07074	9.5
61.02903	2.6
67.05495	27.8
69.03418	13.3
69.07054	25.6
70.06577	44.7
71.04980	8.0
71.65359	2.2
71.65768	3.3
72.08140	11.5
73.02915	2.2
74.06075	1.7
79.05472	12.1
81.03401	9.0
81.07043	86.2
83.04927	2.8
83.08602	13.8
84.04491	6.7
84.08132	10.5
85.02883	22.6
85.06530	67.9
86.09688	23.7
87.00803	10.3
91.05481	9.4
93.07024	26.2
95.04948	6.0
95.08593	73.4
97.02856	9.6
97.06511	5.9
97.10147	10.1
99.04432	4.3
99.08082	6.4
101.07153	1.9
102.05463	1.9
105.01842	7.3
105.07030	11.7
107.04937	3.5
107.08574	25.8
108.08099	4.2
109.02871	7.3
109.10139	57.2
110.07162	3.3
111.08073	7.3
111.11697	6.9
113.09609	8.9
115.08645	1.9
119.08545	9.9
120.08096	14.6
121.06499	2.8
121.10114	23.4
122.09644	2.1
123.08067	1.9
123.11693	32.5
125.09613	5.6
127.03902	10.5
127.11131	1.8
129.09116	5.9
129.10217	5.7
133.10114	10.8
135.08090	1.9
135.11681	20.6
136.07584	3.0
137.05922	2.5
137.09584	3.0
137.13235	17.0
139.11147	7.0
141.16779	1.9
143.10614	2.5
145.04942	4.6
145.10085	7.2
147.11627	8.4
149.13222	19.3
151.14778	4.1
153.12689	3.7
157.13393	2.1
159.02899	2.1
159.09190	2.8
159.11673	3.2
161.13261	6.4
163.11145	4.4
163.14743	11.5
173.09529	4.0
175.14781	4.6
177.16347	7.3
179.17863	2.8
181.15773	1.9
183.14989	2.3
183.68353	1.7
189.16373	7.7
191.17867	2.0
203.17964	2.6
205.19518	3.4
211.14548	3.1
220.16905	6.8
222.18523	3.7
229.15594	4.4
233.22501	3.1
238.17999	16.3
238.68129	4.3
239.18587	5.9
239.68964	4.0
240.19569	11.5
242.15048	3.0
245.22595	18.7
247.16859	2.7
249.06287	2.3
263.23691	28.1
265.17981	2.7
269.24625	4.5
281.24722	41.6
283.19086	4.3
299.25766	26.6
301.20273	1.9
312.62469	1.9
317.26804	100.0
333.18622	3.1
335.27802	5.8
342.01828	2.1
346.20074	2.6
511.28876	2.9
529.30438	2.0
583.28302	2.0
583.38232	9.0
583.76141	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	583.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	45.4
57.03421	4.7
57.07069	21.0
59.04739	3.6
59.04991	32.4
61.02877	4.0
62.13538	2.5
63.18787	2.9
67.05478	10.4
69.03426	7.8
69.07054	75.8
70.00413	2.7
70.06586	27.3
71.08598	3.5
71.20381	8.9
72.08138	6.2
79.05453	5.5
81.03376	6.0
81.07043	26.8
83.04975	3.6
83.08607	100.0
84.08145	5.6
84.98184	2.7
85.02902	14.6
86.09684	9.4
87.00818	8.1
89.06020	5.3
91.05446	5.9
93.07024	7.2
95.08575	10.2
97.02859	6.4
97.10156	39.3
103.07564	3.6
105.07012	9.0
107.08556	4.0
109.02885	5.6
109.10148	14.9
111.11721	3.9
117.09087	6.9
119.08556	4.6
120.08076	5.6
122.09653	3.0
123.11665	4.8
125.13256	7.9
127.03894	9.7
133.10077	4.2
136.07588	4.5
139.14803	4.2
143.14252	3.3
161.11813	3.5
174.96185	2.8
179.12724	7.7
197.19035	3.2
220.16870	4.4
221.17281	4.2
222.18558	5.5
230.58096	2.6
238.17981	25.5
239.18448	8.0
240.19659	14.9
246.17941	3.4
257.18466	3.1
317.26883	55.6
335.27893	12.9
583.37067	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	583.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59411	0.7
66.71443	0.8
69.07054	0.9
70.06575	1.5
81.07042	1.0
88.94072	0.7
91.05429	1.1
93.07036	1.0
105.07016	1.1
107.08562	1.0
114.00018	0.8
119.02995	0.8
119.08529	1.0
129.32486	0.8
134.25737	0.8
136.07600	1.0
182.09648	1.4
195.09189	2.2
196.09944	1.1
197.10851	1.3
209.10681	12.1
209.12451	1.0
210.11479	6.4
211.08659	1.8
223.12227	1.8
225.10275	2.7
226.11066	1.3
227.11821	2.3
237.10275	7.3
238.10971	7.7
239.11797	2.7
240.12553	0.9
251.11855	2.7
253.09564	1.0
253.13501	2.1
255.11020	1.1
269.12860	8.4
271.10846	2.1
271.14554	1.4
279.11349	2.4
283.10779	1.1
285.12393	1.1
297.12305	83.8
298.12689	0.8
299.13913	5.8
307.02530	0.9
330.16168	1.8
421.16455	1.0
435.18140	2.3
444.90298	0.8
449.19525	1.3
450.21030	1.1
451.21362	1.5
465.23022	1.8
513.27594	0.9
523.22919	1.0
565.24890	1.2
583.25470	100.0
584.25781	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	583.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15335	0.5
69.00661	0.5
70.06571	1.1
70.77962	1.2
70.78317	0.8
79.05470	0.7
81.07053	0.8
85.38411	0.6
86.09701	0.5
91.05454	0.6
95.08581	0.7
114.60779	0.5
144.08101	0.9
197.10718	0.9
203.09419	0.9
204.10197	1.2
207.09166	0.5
209.10896	0.6
214.11168	0.7
216.10263	2.3
217.10968	0.8
220.09911	0.7
223.12247	1.2
225.10359	0.8
230.11798	2.9
232.09641	0.7
235.12338	1.1
242.10434	1.0
245.10495	2.5
246.11253	0.9
250.09720	0.9
250.13562	0.8
251.11858	4.7
252.14975	0.8
258.11209	1.3
259.11234	0.5
263.11557	0.7
264.11398	0.8
265.12207	1.6
276.12039	0.6
278.12885	0.9
280.14444	6.6
290.13025	0.7
292.14386	0.8
296.13892	0.9
300.15335	0.7
301.11978	1.7
304.11722	12.9
306.15915	3.8
307.16833	1.0
314.12900	1.2
315.13617	1.1
319.12839	3.4
326.13089	0.9
327.13638	1.0
328.14352	1.4
329.15540	0.6
330.15915	1.3
332.17804	0.5
341.15143	0.7
342.16113	3.1
343.12906	2.6
343.16812	1.6
344.17526	0.8
355.50528	0.5
356.17596	4.3
358.19455	0.7
364.41455	0.5
373.14261	1.2
374.14874	4.7
374.18826	0.6
386.15073	1.2
387.15594	3.2
400.16486	0.6
402.18137	7.3
407.18701	0.9
421.16364	0.8
435.18024	1.3
436.18964	2.2
449.19394	1.0
451.21628	0.8
467.20700	0.6
481.22452	2.9
495.20358	1.6
506.21136	0.8
507.20728	0.8
509.21869	2.0
511.26974	0.7
523.23395	1.0
553.20770	0.9
565.24377	1.6
567.22510	0.7
568.22784	2.8
583.25446	100.0
584.25696	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	581.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01860	3.3
55.05505	17.1
57.07064	4.5
57.72660	1.2
67.05482	11.4
69.03426	8.5
69.07060	8.9
70.36022	6.1
71.04975	4.1
71.08623	2.0
77.67359	1.3
79.05485	9.9
81.07050	12.9
83.04980	8.0
83.08607	22.2
85.06545	2.7
87.04456	2.2
89.06018	2.3
91.05465	17.5
93.07030	18.1
95.04958	10.1
95.08585	21.1
97.06515	28.0
97.10138	1.7
99.08102	1.3
103.05466	1.3
105.07020	33.3
107.08578	32.8
109.06504	5.2
109.10145	11.7
111.08089	5.7
113.09638	12.2
113.21954	1.3
115.05436	3.4
116.06264	1.5
117.07003	5.4
119.08569	25.7
121.06480	7.2
121.10134	22.5
123.08111	6.9
125.09607	9.6
127.11176	1.3
128.06195	6.7
129.06998	15.6
130.07811	4.1
131.08557	18.0
133.10109	16.1
135.07977	2.6
135.11693	4.1
137.09613	3.5
139.11160	11.0
141.06987	4.9
142.07719	11.1
143.08542	24.8
143.09657	1.4
144.09320	15.9
145.06454	1.6
145.10107	27.5
147.08015	2.3
147.11667	5.2
149.09625	3.6
153.06984	3.1
153.12727	4.6
154.07751	2.2
155.08554	10.1
155.10612	12.1
156.09319	11.4
157.10109	40.6
158.10902	2.6
159.08083	4.1
159.11699	13.1
161.09618	1.6
161.13278	3.1
163.11160	1.8
165.07005	7.3
166.07773	2.8
167.08585	5.8
168.09335	4.4
169.10103	19.3
169.12265	2.0
170.10957	5.0
171.07977	1.5
171.11652	20.5
172.12314	1.3
173.09595	3.3
173.13293	9.7
175.11191	2.6
175.14886	1.6
178.07877	2.0
179.08571	9.8
179.14290	4.9
180.09381	5.6
181.10103	13.5
181.12178	15.9
182.10905	6.7
183.11694	11.8
184.12465	1.7
185.09665	3.1
185.13237	12.4
187.11176	1.9
187.14865	1.8
189.12738	2.5
191.14366	1.3
192.09344	4.5
193.10126	11.6
194.10887	9.6
195.11722	23.6
195.13799	6.5
196.12518	4.6
197.09557	1.9
197.13216	16.1
198.14034	2.4
199.14825	5.1
201.12785	1.7
203.14325	2.0
205.10121	4.3
205.15874	3.1
206.10899	4.0
207.11699	12.7
208.12437	4.8
209.13206	25.5
209.15056	2.0
210.14105	3.2
211.11296	1.8
211.14775	11.1
213.12798	2.9
213.16397	3.1
217.10106	3.1
217.15932	3.1
218.10873	3.0
219.11777	5.5
220.12488	2.9
221.13266	11.1
221.15413	11.0
222.13988	3.8
223.11125	1.4
223.14830	9.0
225.12889	2.0
225.16399	3.6
227.14381	2.9
229.15793	2.1
230.10843	2.4
231.11679	3.8
232.12628	1.6
233.13274	7.4
234.14091	3.4
235.14812	8.6
236.15639	3.9
237.16594	6.8
239.14301	1.7
239.18021	2.4
243.11682	2.4
243.17563	1.7
245.13228	5.5
245.15491	2.6
246.14018	3.3
247.14767	6.7
247.16994	8.9
248.15649	1.7
249.16458	5.5
251.17921	16.5
255.17523	3.1
257.13306	2.4
257.19012	3.0
258.14063	2.1
259.14825	3.7
260.15594	1.8
261.16376	5.3
263.17929	5.7
265.19537	3.3
267.17456	1.5
269.18994	20.5
271.14703	1.4
273.16168	3.1
273.18600	3.6
275.17969	4.2
277.19604	4.1
279.17639	1.4
281.19031	3.9
283.20517	2.0
285.18713	1.8
287.17841	2.7
289.19485	1.5
295.14944	3.0
295.20703	2.0
299.20261	14.4
301.19470	2.3
303.20984	1.4
307.20569	2.7
309.22144	1.9
311.20239	9.2
312.20819	12.2
313.19443	1.9
315.20914	1.6
317.22623	2.8
321.22269	1.9
329.22626	1.9
333.22070	2.1
335.23755	5.0
339.21445	1.5
347.23615	1.5
355.24133	3.1
363.23251	3.2
373.25098	6.4
395.27435	5.3
413.28391	13.7
427.29697	1.9
505.34427	2.4
523.35895	1.6
563.38751	19.6
581.39856	100.0
584.40265	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	581.1488
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
52.96517	0.1
53.03924	0.1
55.01853	0.3
55.05507	0.6
56.05017	0.1
57.03139	0.1
57.03426	2.9
58.06594	0.2
59.04977	0.1
61.02912	0.9
65.03924	0.2
67.01841	0.1
67.05495	0.6
68.05006	0.1
68.99780	0.4
69.03066	0.2
69.03418	2.7
69.07042	0.4
69.45531	1.1
70.06578	2.6
71.01330	0.4
71.04980	7.0
71.06898	0.1
72.08128	0.3
73.02905	5.0
75.04462	0.6
79.05455	0.4
81.03411	0.6
81.07020	0.5
82.06547	0.2
83.04966	1.6
84.04483	0.3
84.08124	0.5
85.02891	9.3
85.61482	0.1
86.09690	0.9
87.04442	0.4
91.05452	0.3
93.03368	0.2
93.07014	0.2
94.06522	0.2
94.90521	0.1
95.04948	0.6
95.08588	0.3
95.51009	0.1
96.08107	0.3
97.02266	0.2
97.02876	3.1
97.06519	0.2
99.04418	0.2
99.08035	0.1
102.05451	0.1
105.07014	0.2
107.04950	0.2
107.08571	0.2
108.08115	0.3
109.02858	0.5
110.07136	0.3
110.09667	0.1
111.00803	0.7
111.04443	1.0
113.02338	0.3
113.06009	0.3
115.03909	1.7
119.04939	0.1
120.08092	0.7
121.02853	0.7
121.10174	0.1
122.09698	0.3
123.04409	0.3
127.03895	0.4
129.05458	2.1
129.10201	0.3
133.04984	0.1
135.04373	0.4
136.07625	0.2
137.02318	2.6
137.03372	0.1
139.03850	0.2
141.10088	0.1
145.06422	0.2
147.04398	0.2
147.06508	0.7
149.02351	0.2
153.01802	2.7
155.04872	0.2
157.04927	0.3
161.05933	0.2
163.03902	0.5
165.01801	1.5
166.02611	0.2
167.07045	0.2
169.09746	0.2
171.06488	0.3
173.05991	0.3
177.05460	0.2
183.02957	0.6
183.04327	0.1
183.06390	0.1
187.03922	0.2
195.02875	0.2
201.05440	1.3
205.04965	0.2
207.02849	0.1
209.07970	0.1
219.06490	0.2
220.16895	1.0
221.17381	0.1
222.18629	0.6
223.18788	0.2
225.07571	1.2
228.04141	0.2
229.04933	3.7
230.18376	0.3
238.17982	1.7
238.68053	0.1
239.18748	7.4
239.68918	2.1
240.19540	3.0
241.19753	0.5
243.08519	0.2
246.05350	0.1
247.06039	0.6
247.18504	0.3
247.68675	0.2
257.04401	2.3
274.04675	0.5
275.05396	0.2
285.03928	1.0
287.05490	0.8
303.04941	100.0
304.05283	2.4
315.04745	0.7
329.06631	0.2
333.14288	0.2
341.06683	0.1
345.05957	0.5
369.06140	0.3
399.07208	0.5
417.08237	0.4
435.09265	1.4
477.36679	0.5
478.36966	0.2
493.36063	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	580.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05497	4.7
57.07065	2.1
57.88271	0.6
58.99281	0.9
58.99575	17.1
65.03919	0.8
67.05493	12.1
69.07056	19.4
69.94630	2.1
69.95055	1.4
71.08621	1.0
73.01135	0.7
76.02215	93.9
76.03966	3.4
79.05477	11.2
80.05004	1.0
81.07043	90.4
82.07365	1.0
83.06116	0.5
83.08611	3.7
84.04491	15.5
85.10144	0.6
86.99017	4.7
86.99412	0.4
88.02190	1.9
91.05454	4.0
93.07030	15.5
95.04954	1.9
95.08590	32.9
97.10146	2.7
98.98446	0.9
101.04214	0.9
105.07005	4.4
107.08582	13.3
109.10136	13.8
111.11690	1.5
113.04171	0.7
114.03721	1.1
116.01659	23.4
116.02483	1.1
119.08572	3.1
121.10118	17.3
123.11669	8.1
130.04982	10.1
133.10074	2.3
135.11670	9.3
137.13229	7.5
137.43686	0.5
141.04791	0.8
142.03217	9.1
143.08432	0.6
144.01122	13.4
145.06023	2.6
147.11644	2.4
149.13232	10.8
152.24254	0.6
155.00990	1.8
161.13237	2.6
162.02177	50.7
163.14812	3.3
163.86835	0.6
167.08894	0.9
169.10388	0.7
170.02687	3.8
175.14742	1.0
177.16338	2.0
179.04825	100.0
187.05318	2.7
189.16336	1.7
191.17880	1.4
203.17958	1.2
204.88123	0.5
205.19443	1.1
215.04837	2.5
216.03232	0.8
217.19426	1.8
233.05875	21.7
238.17986	0.6
245.05930	4.2
273.05087	0.7
273.25732	2.4
290.07916	1.6
291.06381	2.5
305.22845	1.1
308.09058	42.6
338.27582	1.7
348.27161	3.8
451.29626	2.0
477.31332	0.8
505.30557	1.8
580.33960	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	580.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.7
55.01834	0.5
55.05457	1.7
55.05701	0.7
56.04986	1.1
57.03378	1.0
58.06501	0.3
60.04465	0.4
60.29054	0.4
61.01087	0.5
61.02887	0.6
67.05487	1.7
68.04993	0.5
69.03419	3.2
69.07060	2.2
70.06581	11.0
71.01311	0.5
71.04951	0.4
71.60741	0.8
72.08153	2.6
73.02866	0.5
74.06037	0.7
79.05491	1.7
81.03398	2.3
81.06998	1.5
82.06528	1.1
83.07281	0.4
83.08575	0.4
84.04496	2.1
84.08124	4.0
85.02895	3.9
86.09689	2.2
87.04420	0.6
87.05527	0.5
88.03950	0.5
91.05473	1.7
93.06966	1.2
94.06558	2.7
95.04891	0.5
95.08575	0.8
96.08106	2.5
97.02880	6.1
98.09656	0.6
99.04411	0.5
100.00977	0.3
102.05473	0.7
104.05272	1.5
105.06961	1.1
107.07257	1.5
107.08506	1.0
108.08091	3.3
109.02869	7.5
109.06462	0.6
109.08832	1.2
109.44044	0.4
110.07088	1.3
110.09621	1.6
110.25179	0.3
112.07541	0.6
112.08649	0.4
113.07062	0.9
119.04878	0.9
119.08543	0.8
120.08099	2.9
121.08807	0.5
122.09657	3.5
123.10349	0.4
124.11150	1.0
127.03834	1.3
127.09917	6.4
129.10205	2.6
133.10069	0.7
135.11607	0.4
136.07536	1.8
136.11157	1.0
137.71098	0.3
140.10686	2.7
141.11472	0.4
147.04364	3.3
148.04689	1.0
148.11197	0.5
149.04993	0.5
154.12180	0.4
155.08240	0.4
156.66011	0.4
163.11093	0.7
167.08044	0.4
173.12811	0.4
177.05414	0.5
190.15781	0.5
192.13780	0.6
192.17397	0.9
202.05035	0.4
202.15887	0.8
211.19247	0.4
213.09076	0.4
214.09523	0.4
215.13951	0.8
217.11784	0.6
218.15358	1.1
220.16933	23.8
236.16437	1.1
238.17973	23.4
238.65154	0.4
256.19034	24.2
280.18942	1.6
298.20010	1.3
310.20068	3.3
312.21790	0.4
328.21164	10.4
334.20181	2.7
346.20154	0.7
352.21121	7.1
358.15442	0.8
358.22360	0.9
362.37903	0.4
364.21072	2.8
370.22412	0.4
382.22177	12.2
400.23245	61.3
418.24298	22.3
562.28754	0.8
576.97363	0.4
580.29565	100.0
581.30133	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	580.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01840	0.5
55.05476	1.5
56.05009	0.8
57.03437	2.1
60.04482	1.0
61.02921	2.5
67.05451	1.2
68.05005	0.8
69.03419	9.2
69.07052	1.9
69.88498	2.7
70.06582	16.3
71.01324	0.8
71.04956	1.3
72.08141	3.0
73.02897	2.2
74.06054	0.9
79.05444	1.6
80.04989	0.4
81.03413	2.6
81.07013	1.6
82.06534	1.6
83.06085	1.9
83.80609	0.3
84.04496	3.3
84.08131	3.7
85.02890	14.3
86.09681	2.9
87.04457	2.7
87.05558	0.7
88.03960	0.4
89.02378	0.5
89.60194	0.4
91.05468	2.2
93.07024	2.1
94.06557	2.0
95.04921	0.9
95.08574	0.9
96.04480	0.5
96.08122	3.2
97.02879	7.4
98.06020	0.5
99.04453	1.9
101.02375	0.5
101.07108	1.5
102.05468	0.6
105.07018	0.8
106.55891	0.4
107.04900	0.6
107.07304	0.8
107.08553	1.3
108.08091	3.2
109.02872	2.7
109.06490	0.4
110.06006	0.8
110.07148	8.5
110.09669	0.9
111.07437	0.6
112.07555	0.5
112.08672	0.4
115.03912	0.5
115.08662	0.7
119.04902	1.5
119.08543	0.8
120.08097	3.2
121.08396	0.7
122.09661	1.8
124.11226	0.9
127.03885	4.5
127.08660	0.6
127.09879	0.5
129.06631	0.5
129.10219	1.8
130.04965	0.7
134.09599	0.5
136.07570	3.4
137.06003	0.5
139.58720	0.4
146.02635	0.6
147.04370	4.7
147.07614	0.5
148.04680	1.4
149.04924	0.5
154.09715	1.1
155.06990	0.4
155.08064	1.8
156.07631	0.8
159.07712	0.5
163.03894	1.0
170.11755	0.5
172.10788	1.2
182.09290	0.8
185.09204	0.5
190.15851	0.5
192.13857	0.5
192.17480	0.8
200.10294	0.5
202.15947	0.7
213.08885	0.8
218.15364	1.5
220.16936	21.3
221.17314	0.6
226.11827	0.7
236.16351	0.5
238.17989	34.6
239.18369	0.6
253.11929	0.5
256.19046	84.0
257.19373	1.5
263.05505	0.5
273.13425	0.5
280.19141	0.6
298.19995	2.0
328.20996	0.8
354.15588	0.4
368.46106	0.4
380.54022	0.4
382.22171	2.7
390.34967	0.4
400.23270	9.0
408.72806	0.4
418.24313	40.3
419.24625	0.8
480.21494	1.5
480.71466	0.9
562.28430	1.1
580.29578	100.0
581.30566	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	579.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01852	2.8
55.05503	11.3
57.03436	6.3
57.07055	2.9
65.03923	2.4
67.05493	63.6
69.03403	3.0
69.07049	10.5
69.52508	2.4
69.52915	8.9
71.04966	2.4
71.08597	1.1
73.02898	4.4
75.04448	1.5
79.05477	28.8
81.03407	5.3
81.07040	73.4
83.04964	1.9
83.08617	6.7
85.02878	4.6
85.06525	3.1
91.05469	15.5
93.07028	40.5
95.04956	3.2
95.08590	56.1
97.02868	2.0
97.06523	2.3
97.10162	3.1
98.20745	2.2
98.98453	10.3
99.04430	3.3
99.08108	2.4
105.07018	16.5
107.08579	30.0
109.02866	9.2
109.06467	1.5
109.10141	33.5
110.03645	3.2
111.04410	2.7
111.08047	2.5
117.07013	8.4
119.08554	13.2
121.10125	29.4
123.08072	1.4
123.11684	18.9
125.09602	2.3
127.03881	3.1
131.08546	17.6
132.99545	1.8
133.10106	13.9
135.11667	22.8
137.09586	2.5
137.13205	7.1
139.11101	1.4
143.08571	1.7
145.10100	15.0
147.11673	12.0
149.13237	14.9
150.12294	0.9
150.41087	0.9
151.11176	1.6
151.14789	2.6
153.12764	2.1
155.01025	9.8
157.10146	2.6
159.11684	15.2
161.13271	9.5
163.14764	10.3
165.12775	3.0
165.16391	1.4
172.95215	1.7
173.13219	14.4
175.14796	2.6
177.12650	1.4
177.16362	4.0
179.14293	4.1
187.14787	9.0
189.16518	1.7
190.96219	1.4
191.00061	3.8
193.15923	1.0
201.16373	2.1
205.15874	1.2
219.17633	1.0
228.97778	1.3
233.22566	3.8
243.21056	29.5
245.22615	1.9
251.65154	1.0
261.22098	100.0
263.23581	4.7
279.23083	4.2
303.09946	1.0
303.23102	1.7
310.34479	1.2
335.25748	21.8
337.27325	6.7
353.26822	88.0
369.24075	1.8
377.26804	1.8
389.26599	1.2
433.20370	2.1
443.27728	1.8
451.21298	2.6
469.22482	2.1
473.19745	5.9
487.23404	1.5
543.25684	1.4
552.60718	0.9
561.27277	6.8
579.27972	2.1
587.34918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01853	2.7
55.05505	10.7
57.03426	4.7
57.07053	3.8
59.04987	1.0
64.27946	1.0
65.03918	1.7
67.05498	65.4
69.03405	4.3
69.07060	11.5
71.04972	2.9
71.08615	1.7
71.23627	2.7
73.02890	3.1
79.05486	32.6
81.03423	6.0
81.07047	73.6
83.04971	2.3
83.08602	8.4
84.90295	0.9
85.02893	2.7
85.06513	2.3
87.53963	1.0
91.05470	18.1
93.07030	43.9
95.04966	3.1
95.08595	60.1
97.02895	1.1
97.06523	2.3
97.10145	4.7
98.98455	25.3
99.04430	3.0
99.08083	2.4
105.07027	16.0
107.08585	32.4
109.02872	10.0
109.06451	1.3
109.10144	33.0
110.03630	3.7
111.04431	2.9
111.08087	1.7
113.09607	1.7
117.07005	8.6
119.08562	15.2
119.24066	0.9
121.10122	28.2
123.08037	1.3
123.11681	15.5
125.09608	1.2
127.03891	3.9
127.11219	0.9
129.06999	1.4
131.08562	16.5
133.10109	15.3
135.11678	27.4
137.09598	1.5
137.13240	6.1
140.01077	1.1
143.08583	1.9
145.10101	14.3
146.08128	1.4
147.11665	12.8
149.13231	18.4
151.11172	1.9
151.14821	2.3
153.12788	1.6
155.01018	26.5
159.11681	14.1
161.13251	11.3
163.11136	1.7
163.14795	14.8
165.12744	2.3
165.16437	1.0
171.11693	1.6
171.43558	0.9
172.95219	1.4
173.13274	15.3
175.14838	4.5
177.12672	1.4
177.16371	5.1
179.14282	1.9
179.23369	1.0
185.13370	1.3
187.14818	7.9
189.16414	1.2
191.00101	3.4
191.51057	1.0
201.16374	3.5
205.15910	1.5
209.01151	1.5
219.17436	2.0
228.97632	1.0
233.18871	1.0
233.22624	3.0
243.21056	32.5
245.22766	4.9
259.20724	1.2
261.22116	100.0
262.22348	1.2
263.23715	8.0
279.23148	3.5
282.88422	0.9
303.22900	2.2
317.06329	3.1
317.24625	1.5
335.25790	13.5
337.27350	22.5
353.26837	90.4
369.24222	1.9
371.25403	1.1
377.26736	2.0
425.28351	1.2
433.20328	1.7
443.27997	1.8
451.21646	2.3
469.22360	3.3
473.19672	4.3
487.23190	1.4
517.86084	1.1
561.27173	8.9
567.09991	1.0
579.28131	3.4
579.36377	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	579.1701
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.84801	0.2
53.21309	0.2
53.72478	0.2
55.01842	0.3
55.05505	1.1
56.05011	0.3
56.35041	0.2
57.03434	2.5
57.07038	0.2
59.04987	0.2
60.04518	0.3
60.33908	0.2
61.02908	0.4
63.54505	0.2
65.03947	0.2
67.05486	0.6
69.03409	0.8
69.07046	0.6
69.75624	1.4
70.06231	0.3
70.06583	3.7
71.01344	0.3
71.04983	18.1
72.08132	1.1
73.02904	0.7
75.04462	1.3
79.05463	0.4
81.07021	0.7
82.06555	0.4
83.04970	3.3
83.08593	0.2
84.04478	0.8
84.08131	4.1
85.02892	20.9
86.09698	3.1
87.04440	0.7
87.10021	0.4
91.05457	0.7
93.07039	0.5
95.04961	0.6
95.08580	0.6
96.08118	0.4
97.02859	0.5
97.06537	0.2
98.06065	0.2
99.04408	0.3
101.25675	0.2
102.05560	0.3
103.05453	0.2
104.05277	0.3
105.06997	0.4
107.04939	0.3
107.08575	0.4
108.08100	0.3
109.02818	0.2
109.06506	0.3
109.10139	0.3
110.07143	0.4
111.00751	0.3
111.04436	3.0
117.05486	0.2
118.86554	0.2
119.04932	0.6
120.08093	1.7
120.92461	0.2
121.02821	1.5
121.06515	0.2
121.10091	0.3
123.07976	0.3
127.03873	0.5
129.05457	5.3
129.10214	0.6
130.08611	0.4
133.02878	0.2
133.10097	0.3
136.07516	0.4
137.02309	0.3
137.05911	0.2
138.58502	0.2
141.37131	0.2
143.11774	0.2
147.04382	0.7
147.06448	1.0
148.04692	0.4
153.01825	1.9
159.11589	0.2
163.05861	0.2
164.24794	0.2
165.01834	1.0
167.07056	0.2
173.13066	0.3
183.02910	0.4
185.05832	0.2
213.05385	0.9
220.16982	1.0
222.18494	0.5
231.06519	0.4
238.17944	1.6
239.08948	0.5
239.18611	0.8
239.68941	0.4
240.19582	1.3
241.04987	0.4
241.19818	0.3
258.05130	0.6
259.05966	0.2
268.00012	0.2
269.04272	0.2
287.05457	100.0
288.05746	2.3
307.18713	0.2
318.17700	0.2
322.38699	0.2
329.06564	0.5
351.22723	0.2
381.31116	0.3
386.20572	0.3
397.09192	0.4
399.32092	0.5
417.32977	0.9
433.11234	2.0
477.36603	0.2
561.35156	0.3
570.35675	0.5
578.86133	0.4
579.37177	1.3
579.86639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01851	1.0
55.05493	1.7
56.05030	1.7
57.03413	0.7
58.33603	0.3
59.04993	0.4
60.04510	0.8
61.01118	0.4
65.03919	0.9
67.05482	1.3
68.05006	0.4
69.03423	3.3
69.07058	1.9
70.06583	23.7
71.01346	2.6
71.04987	2.2
71.06903	1.0
71.71865	0.4
72.08143	3.9
73.02890	0.5
73.08471	0.4
73.26920	0.2
74.06054	1.0
75.24452	0.2
76.02219	0.4
78.17805	0.2
79.05486	1.8
80.05000	0.4
81.03403	3.8
81.07043	1.5
82.06553	1.2
83.04967	0.3
83.06084	0.6
83.08629	0.3
84.04491	4.2
84.07623	0.3
84.08131	6.1
85.02895	1.7
85.04790	0.2
85.08445	0.3
86.06080	0.4
86.09694	8.9
87.04451	0.3
87.05571	1.1
87.10014	0.6
88.03966	1.2
89.02379	4.1
91.05464	8.8
92.05804	0.4
93.05742	0.3
93.07034	1.4
94.06557	2.3
95.04948	0.9
95.08582	0.7
96.04494	0.4
96.08120	2.0
97.02876	1.2
98.02377	0.3
98.06020	0.7
98.57335	0.2
99.00797	0.9
99.04462	1.5
100.17208	0.2
100.74688	0.3
101.07114	0.6
102.05534	2.6
104.05295	0.6
105.01903	0.3
105.07009	1.0
106.06528	0.6
107.04935	0.7
107.07336	2.1
107.08559	1.1
108.08106	2.5
109.02821	0.4
109.06495	0.5
110.06003	0.4
110.07148	2.5
110.09660	0.8
112.07577	0.4
112.08727	0.4
113.07133	0.4
115.05025	0.3
115.08623	0.8
116.07069	1.0
117.05457	0.6
117.06969	0.4
119.04925	17.3
119.08540	0.8
120.05286	0.4
120.06680	0.3
120.08084	5.1
120.08915	0.4
121.06513	0.3
121.10117	0.6
122.02708	0.3
122.09658	1.7
124.11220	0.4
126.05505	0.5
126.09082	0.3
127.03897	0.6
127.08716	0.5
129.06621	0.3
129.10233	3.8
129.93875	0.2
130.04994	1.0
130.06450	0.4
130.08607	0.3
131.04871	0.4
131.08493	0.3
132.08031	0.5
133.07562	1.5
133.10049	0.3
134.09622	0.4
135.04430	0.4
135.08023	0.5
135.11659	0.4
136.07579	2.7
138.09203	0.3
141.06538	0.4
141.10201	0.7
143.05951	0.3
143.08453	0.4
145.04979	0.5
145.06068	0.3
145.07646	0.3
145.10091	0.6
147.04387	77.5
147.09142	0.8
148.04750	2.5
148.05878	0.5
155.08134	0.6
156.07700	0.4
158.09201	0.6
159.07732	0.3
159.09142	0.5
161.05763	0.5
161.07083	9.2
161.09250	0.3
162.07802	0.4
163.03915	0.5
163.08652	1.3
163.11145	0.3
165.05461	0.4
167.08350	0.4
169.09769	0.4
169.13390	0.4
170.11821	0.5
171.07637	0.3
173.07071	2.1
173.09232	1.1
173.13046	0.5
175.08636	0.8
175.12048	0.3
177.06651	0.7
181.06381	0.3
181.09979	0.3
183.14941	0.8
185.09480	0.3
186.08864	0.3
187.08714	0.6
187.10689	0.4
189.06567	12.0
190.15833	0.3
191.08144	12.2
191.14290	1.1
192.17458	0.6
194.07173	0.5
195.07959	0.7
197.09642	0.3
199.07246	0.3
199.10684	0.3
201.08650	0.6
201.10286	0.7
201.12370	1.2
202.08125	0.3
202.15898	0.5
203.08286	0.7
207.07625	36.9
209.05936	2.0
209.09515	0.8
209.15331	1.7
213.09006	5.5
213.12271	0.3
214.09657	0.5
215.01913	0.9
215.08261	0.4
217.13506	0.4
218.15401	1.7
219.08034	0.5
219.10043	0.4
220.16931	14.3
223.07510	0.6
225.09140	0.8
226.11998	0.3
229.09756	0.7
229.11772	0.4
236.16460	1.1
237.09084	1.7
238.17984	15.7
239.18468	0.3
241.09750	0.6
245.09311	0.4
245.11328	1.6
247.07660	0.3
247.10846	0.3
254.11928	0.3
255.10191	1.2
256.19046	6.4
257.09213	0.8
259.10806	1.2
263.05447	6.3
263.13849	0.3
265.08597	1.5
269.08417	0.6
277.11826	1.0
283.09537	0.4
284.12433	0.3
287.10303	1.2
293.08057	0.9
295.12820	1.4
305.11282	11.1
307.12845	0.6
311.09152	0.5
312.16190	0.7
316.11441	1.0
323.12329	13.1
325.13956	0.3
350.17245	0.4
353.10129	0.4
358.34937	0.3
381.09360	0.6
409.09134	0.4
427.10370	0.6
444.25113	0.4
448.75577	0.4
463.58292	0.3
485.77017	0.5
486.27155	0.4
491.76575	0.4
560.29688	3.5
578.30670	100.0
579.31006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55923	0.6
56.05029	7.8
58.06598	1.6
60.04522	8.2
69.07053	2.3
69.82939	1.2
69.83359	3.3
70.06577	6.5
71.01341	1.3
72.08154	5.4
74.06069	11.1
80.84098	0.7
83.06088	8.5
84.04492	100.0
84.08130	6.6
85.02905	1.5
85.04829	1.1
86.06049	1.2
86.09694	59.0
87.10056	0.7
88.03985	4.2
89.02370	1.6
91.05812	0.8
96.04481	2.1
99.05595	0.6
101.07127	69.7
101.46532	0.7
102.04856	0.8
102.05533	15.4
104.07108	1.3
106.04301	0.9
106.05014	16.9
110.06065	1.0
110.07121	1.4
112.03946	0.8
112.07609	1.4
113.07118	1.9
114.94157	0.6
119.04935	3.4
120.08157	1.1
121.89265	0.7
122.06030	1.4
129.06577	9.2
129.10217	3.8
130.04994	4.7
131.11792	1.6
132.06573	0.7
136.06219	0.7
136.07587	1.4
139.08678	2.3
140.07043	13.5
140.08072	0.9
141.06540	5.2
145.02844	0.8
147.04388	12.8
147.07640	2.6
150.05479	1.4
152.10699	2.6
157.09750	1.3
163.03871	4.3
166.09793	0.7
167.08134	5.1
168.06558	1.0
169.09770	0.8
170.11765	4.2
171.07655	2.9
175.36835	0.8
176.41599	0.8
179.11772	1.3
180.07677	0.7
184.10814	8.6
185.09204	7.0
187.07204	0.7
189.08667	2.6
194.09285	0.7
195.07623	3.9
197.12823	25.1
202.11934	2.2
207.09744	4.4
207.11455	1.4
208.09663	0.8
212.10249	7.5
213.08722	8.0
215.13889	21.7
224.13989	1.2
225.12317	12.4
225.14363	1.2
230.11337	5.9
231.09845	1.0
242.14946	5.0
243.13338	5.2
254.11371	0.8
255.09753	0.8
260.16052	1.7
272.12451	1.7
281.15140	0.8
282.10855	4.3
299.13477	4.2
300.11792	6.8
317.14508	15.6
318.12964	3.8
325.18826	3.0
335.15533	14.7
343.19492	0.8
353.18158	24.0
354.18060	0.8
371.14651	1.0
371.19247	18.7
383.32681	0.8
409.20840	1.2
410.20441	0.8
418.38885	0.9
419.19376	1.0
426.23270	1.6
427.21536	1.2
430.22913	1.0
436.21863	2.8
454.22891	10.3
463.04019	0.9
472.24057	8.1
481.95337	0.9
523.25183	2.5
524.23621	1.8
541.26184	9.6
542.24603	1.0
559.27069	9.8
577.28461	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	576.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	7.8
53.31937	4.1
55.01860	6.9
55.05501	29.5
67.05496	64.0
69.03441	10.4
69.07063	23.4
70.06570	40.6
71.10646	8.6
71.10982	5.4
72.08145	5.1
79.05477	78.8
81.03412	12.5
81.07041	73.7
82.18675	6.0
83.04971	8.3
83.08598	7.7
84.04491	10.2
84.08108	9.6
85.02901	33.0
85.06501	5.5
86.09690	21.7
87.00827	8.9
91.05460	81.1
93.07035	100.0
94.06531	4.4
95.04967	11.0
95.08587	55.8
96.08093	7.3
96.39249	4.7
97.02924	7.3
97.10172	6.5
99.04430	5.3
105.01846	28.6
105.07013	94.1
105.07695	8.6
107.08575	70.1
109.02872	7.1
109.06502	6.8
109.10136	29.3
117.06274	6.4
117.06982	31.2
119.08562	61.9
120.08083	14.6
121.06442	5.8
121.10130	50.9
123.11684	10.4
124.49574	6.0
125.05965	7.4
127.03903	18.0
129.06995	18.2
131.08542	43.9
133.10098	89.5
135.11674	46.9
137.13213	6.9
141.07014	5.7
142.85616	5.2
143.07019	5.0
143.08495	6.6
145.04932	10.5
145.10124	20.8
147.11667	37.3
149.09665	5.4
149.13266	15.0
151.11127	6.0
155.08527	9.3
157.10153	13.8
159.11703	29.9
161.13240	14.2
163.14821	6.9
169.10094	8.8
171.11688	18.1
173.13252	36.2
175.14803	5.5
177.99101	5.0
183.11714	23.2
185.13248	10.3
197.13307	13.3
211.14839	6.1
215.17953	19.6
220.16876	23.6
221.17360	6.2
222.18533	11.0
228.82506	4.9
231.05023	8.6
231.21103	6.8
238.17966	47.9
239.17993	65.7
240.19621	32.2
241.19949	6.2
257.18982	16.8
275.20053	71.7
293.21103	46.6
374.63870	5.2
475.34985	11.8
476.35599	9.9
477.36679	7.6
478.37015	39.4
493.99359	5.7
509.36462	31.0
509.86661	7.2
576.26691	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	576.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01838	0.3
55.05483	0.8
56.05005	0.9
57.03423	0.5
58.26659	0.2
59.56722	0.2
60.04513	1.1
61.02892	0.9
68.04998	0.2
69.03419	2.6
69.10428	0.2
70.06579	10.5
71.04955	0.3
71.06895	0.8
71.64475	0.4
72.08143	4.8
73.02904	0.5
74.06048	0.9
81.03412	1.1
82.06543	0.2
83.06075	0.4
84.04051	0.2
84.04491	2.6
84.08128	4.0
85.02889	4.5
85.08456	0.3
86.00584	0.2
86.06036	0.9
86.09690	4.6
87.04425	0.7
87.05554	0.6
87.10020	0.2
88.03976	0.6
89.02391	0.4
91.05477	0.5
94.06541	0.7
95.40818	0.2
97.02882	1.8
98.02440	0.2
99.04417	0.4
100.07588	0.4
101.07108	0.7
102.05528	2.0
104.05321	0.3
107.04932	0.2
109.02824	0.9
110.06004	0.4
110.07156	2.3
111.09223	0.2
112.08669	0.4
113.07105	0.2
115.08661	0.5
116.07032	0.4
119.04941	0.3
120.06551	0.2
120.08092	1.3
122.06020	2.4
123.06783	6.9
124.07562	1.1
124.65226	0.2
127.03902	1.1
127.08650	0.5
129.10208	2.5
130.04971	0.8
130.08601	0.3
130.10541	0.3
133.06146	0.3
134.05984	0.4
136.07555	3.3
137.08249	0.3
140.07062	1.8
141.10150	0.3
143.08090	0.3
145.04857	0.4
145.09662	0.4
147.04355	0.9
147.07619	0.7
148.07574	0.5
149.07349	0.3
150.09079	1.2
155.08139	1.0
158.05879	0.2
163.03870	0.4
163.08607	0.2
164.10625	0.2
173.09149	0.5
173.12842	0.6
176.24529	0.2
177.05418	0.4
183.07640	0.2
183.11212	0.3
183.14893	0.3
185.16530	0.2
187.10687	0.3
187.14429	0.4
189.12578	0.3
200.05495	0.3
201.12369	0.7
202.08170	0.3
206.15379	6.1
213.08763	0.3
216.13815	0.6
229.11775	0.3
230.11290	0.4
234.14850	46.2
235.11839	0.5
235.15077	0.2
244.12979	0.4
252.15898	100.0
253.16260	0.7
265.08499	0.2
265.11719	0.2
277.00256	0.2
301.15152	0.4
379.03696	0.3
385.40637	0.2
392.17944	0.4
396.19986	0.3
399.63995	0.2
414.21158	34.5
415.21487	0.3
509.94675	0.2
575.77612	0.3
576.26398	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	576.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40903	0.2
50.78473	0.2
53.03922	0.7
55.01853	0.8
55.05501	13.8
56.05014	0.8
57.03425	0.4
57.87391	0.2
58.99574	0.2
59.04979	0.5
61.02907	0.4
65.03921	0.8
67.05490	0.7
69.03416	1.9
69.07043	0.9
70.06581	9.9
71.04989	0.4
71.75410	0.3
72.08138	1.5
73.02883	0.4
73.06542	6.7
74.06045	0.3
79.05456	0.6
81.03410	2.0
81.07033	0.8
83.04939	0.3
84.04501	0.6
84.08120	0.9
85.02888	3.9
85.06520	0.4
86.09207	0.3
86.09690	4.4
87.00806	1.4
87.05545	0.4
88.03913	0.2
89.06026	0.4
91.03934	0.3
91.05461	1.6
93.03366	0.3
93.07006	0.5
94.06544	0.3
95.08569	0.8
96.08083	0.4
97.02870	1.8
99.04438	0.9
100.11240	0.2
102.05519	0.4
103.05423	0.3
105.01844	0.8
105.06996	0.9
107.08553	0.5
108.08088	0.3
109.02872	1.4
109.06503	0.2
109.10137	0.7
110.07145	0.7
111.04461	0.4
115.03874	0.3
115.08589	0.4
117.07020	0.2
119.04906	0.3
119.08565	0.7
120.08083	2.4
121.02847	2.4
121.03893	0.4
121.06492	0.3
121.10201	0.3
123.08034	0.4
127.03884	1.9
129.01840	0.3
129.06963	0.6
129.10223	0.5
131.06985	0.3
131.08559	1.6
132.08066	0.3
133.10136	0.4
134.09665	0.3
135.11636	0.3
136.07541	0.9
141.10196	0.2
143.04918	0.6
145.04927	1.0
145.10077	0.4
147.08052	0.4
148.07552	0.3
149.02315	100.0
149.13165	0.2
150.02711	0.5
154.97479	0.2
155.43489	0.2
159.02866	1.0
159.09174	0.6
159.11661	1.4
160.11966	0.5
161.05937	3.6
161.09521	0.3
167.03366	1.9
169.13380	0.6
173.12878	0.7
175.07516	13.6
183.14912	0.6
185.06018	0.5
190.04918	0.4
197.12909	0.4
201.12399	0.6
203.07002	15.3
204.13766	0.3
211.14487	0.3
220.16934	1.1
221.08054	8.6
222.18382	0.5
229.15408	1.5
231.04866	0.4
238.18053	2.4
238.68237	0.3
239.18658	2.0
239.68965	0.4
240.19539	1.5
241.19780	0.5
245.12843	0.4
275.12738	6.9
293.13782	56.1
294.14343	0.5
301.66135	0.2
308.13058	1.0
309.13425	0.5
310.12842	2.6
311.14877	0.5
339.19308	0.3
342.23495	0.3
376.22220	0.6
382.00305	0.3
414.18921	0.4
477.36816	0.3
478.36987	1.1
541.18958	0.3
576.25043	0.8
576.34302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63614	0.2
53.03939	0.2
55.01843	0.4
55.05500	1.2
56.05015	0.5
57.03421	0.2
58.06609	0.2
58.99288	0.3
58.99575	3.6
59.04974	0.6
60.04496	0.2
61.01130	0.2
61.02902	0.2
67.05498	1.6
68.05020	0.3
69.03419	1.9
69.07060	1.3
70.06583	8.3
71.04975	0.4
71.65428	0.2
72.07805	0.2
72.08148	2.6
74.00642	0.2
74.06056	0.4
74.09717	0.2
76.02215	1.2
79.05483	1.7
80.05013	0.5
81.03409	0.5
81.07049	1.9
82.06551	0.7
83.04970	1.8
83.08585	0.2
84.04481	0.7
84.08131	1.3
84.70176	0.2
85.01094	0.5
85.02901	1.2
86.00639	5.8
86.06061	2.0
86.09695	4.3
86.10142	0.1
86.99046	2.4
87.00842	0.3
87.04456	5.8
88.02203	6.5
88.03986	0.8
91.05463	1.9
93.07029	1.7
94.06581	0.9
95.04949	0.7
95.08599	1.9
96.04501	0.4
96.08105	0.6
97.02858	0.4
97.06511	0.5
97.10172	0.2
98.06081	0.2
99.02662	0.3
99.04443	0.2
100.02174	0.4
102.03775	0.4
102.05501	0.4
103.05428	0.3
104.07088	9.7
105.00086	1.8
105.07017	20.4
106.06536	0.3
106.07268	0.2
107.04932	0.3
107.07377	0.3
107.08582	2.8
108.04470	0.2
108.08131	1.4
108.08825	0.3
109.02854	0.5
109.06513	1.1
109.10138	2.7
110.07152	0.5
110.09687	0.3
111.08047	0.2
112.02177	2.0
113.06036	0.2
114.03748	0.3
115.08684	0.2
117.07003	0.3
118.06586	0.2
119.04922	0.7
119.08566	3.7
120.08094	1.9
121.06496	0.4
121.08852	0.3
121.10123	2.0
122.02705	1.4
122.06010	0.3
122.09659	2.1
123.08044	1.9
123.11705	0.2
124.11179	0.3
125.09604	0.2
126.03700	0.2
127.03881	0.5
128.05270	0.3
128.06189	0.3
129.10210	0.5
131.08553	0.6
132.01137	6.1
132.08092	0.9
133.06485	1.2
133.08600	0.3
133.10118	1.2
134.02699	1.7
134.09633	0.6
135.08041	1.1
135.11664	0.7
136.07558	0.3
137.04201	1.0
137.05914	0.2
137.09595	2.8
137.13254	0.2
139.05736	0.2
140.01625	0.3
143.08551	1.0
145.10080	0.7
146.09586	0.7
147.08025	1.2
147.11668	2.7
148.04274	0.3
148.07605	0.2
148.11171	1.0
149.09593	0.5
150.09114	2.8
152.10645	0.2
154.03214	0.6
156.09340	0.9
158.02686	3.4
159.11688	0.5
160.04169	0.2
161.09605	0.4
161.13258	2.6
162.09056	0.2
163.05746	0.5
163.11166	0.4
165.03694	0.3
166.08669	0.3
167.05267	0.3
169.06786	0.2
169.09790	0.2
171.11641	1.5
172.04260	0.5
172.11240	0.2
173.09444	0.2
173.13058	0.2
174.05798	1.8
174.10381	0.4
177.12730	1.0
178.12248	0.4
178.15735	0.2
179.14287	0.9
180.08324	1.0
182.06328	0.3
185.16400	0.2
186.02167	0.5
186.05865	0.3
187.11038	0.2
188.07233	0.2
188.14314	0.7
189.12733	4.0
190.12296	0.6
191.14301	0.4
198.04443	1.4
199.10837	0.2
200.03773	0.9
201.12436	0.2
204.13794	0.2
205.14606	2.2
206.15393	3.2
207.13754	0.7
208.07877	2.1
212.07323	0.3
213.06870	0.2
218.15431	0.3
220.16916	1.3
221.09924	0.5
221.17268	0.6
222.18533	0.4
223.18758	0.3
226.08949	1.6
232.77728	0.2
238.12627	0.3
238.17995	3.2
239.06195	0.3
239.18605	3.0
239.68892	0.6
240.19543	2.1
241.19911	1.0
246.13095	0.2
251.07874	0.2
252.10493	0.2
254.08434	11.2
256.18900	0.2
260.93411	0.2
264.14084	1.7
281.93829	0.2
282.10184	0.4
282.15207	0.4
287.05432	0.3
292.13519	0.8
310.14664	100.0
311.14978	2.4
312.13693	0.5
325.18848	0.2
328.15710	0.6
330.14767	0.4
340.19009	0.2
359.99405	0.2
364.18475	0.7
440.45703	0.2
444.15802	0.8
477.36639	0.9
478.37134	5.4
540.19147	0.2
540.31000	0.2
558.20099	0.2
576.20044	0.4
576.31427	0.3
604.31152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73274	0.7
55.01843	1.0
55.05502	4.9
57.03430	2.8
57.07068	47.6
58.96873	0.8
60.71416	0.7
67.05494	10.6
69.07058	7.8
71.08231	1.4
71.08624	27.1
71.21765	1.7
72.18546	0.7
73.02900	1.1
75.04469	3.0
79.05493	1.4
81.03419	1.0
81.06583	1.0
81.07045	14.6
83.08613	11.2
85.02897	0.9
85.10174	17.7
87.04459	99.1
89.06008	3.1
91.05479	1.7
93.07037	2.7
93.26479	0.7
95.07979	1.2
95.08595	26.0
97.10147	5.0
99.04456	1.2
99.11712	1.3
105.07018	0.9
107.08579	0.9
109.02844	2.3
109.10150	10.9
110.03644	2.4
111.11694	1.6
119.08578	1.8
121.06508	4.9
123.11704	5.3
127.03901	1.8
131.07088	1.0
133.08549	1.0
135.11609	0.8
136.00435	0.7
137.13240	1.3
146.76643	0.8
147.08043	2.1
149.09657	1.2
149.13318	0.9
150.06767	1.1
151.14861	0.9
159.11627	1.0
165.09126	1.4
165.16417	0.9
173.69559	0.7
184.07227	0.8
191.00037	2.0
209.01021	0.8
219.12248	1.8
221.22647	1.4
233.18935	3.1
239.23682	27.8
239.26126	1.6
256.26263	1.5
257.24744	4.2
275.32785	0.7
277.18777	0.7
277.21429	3.8
298.27277	1.4
300.29330	0.8
307.03149	0.8
313.27325	100.0
314.27390	1.1
321.24063	1.2
331.28384	26.1
342.65082	0.7
383.13168	0.8
406.17264	0.8
445.24100	0.7
465.25201	1.4
478.37244	0.9
539.28815	3.5
574.39490	16.3
574.48328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73024	1.9
53.03923	5.5
55.01855	8.5
55.05503	24.7
56.05814	2.4
57.03416	7.9
57.07055	6.1
59.04975	3.5
60.04520	1.9
61.02924	3.2
62.10395	2.3
65.03921	2.9
65.25484	1.9
67.05492	22.1
67.67127	1.8
69.03072	2.9
69.03418	34.6
69.07059	100.0
70.06583	34.4
71.04981	8.9
71.72420	2.2
71.72771	3.0
72.08137	9.2
72.31361	2.1
73.02901	4.1
75.09527	2.0
79.05483	18.0
81.03404	23.0
81.06577	3.9
81.07046	69.6
83.04951	7.3
83.08598	15.6
84.04479	8.0
84.08157	10.4
85.02890	57.1
85.06530	15.3
86.09692	24.4
87.00832	14.7
89.06028	4.7
91.05484	13.0
93.07031	31.0
94.06562	3.7
95.04950	6.6
95.08595	58.9
96.08093	5.0
97.02885	19.1
97.06514	13.2
97.10143	8.2
98.06076	2.5
99.04449	12.5
99.08085	8.2
101.06009	11.7
105.01853	14.6
105.07018	20.4
106.06547	2.4
107.08580	25.1
108.04483	3.6
108.08069	7.9
109.02866	23.0
109.06506	7.6
109.10156	37.4
110.07151	4.5
111.04416	2.9
111.08070	10.7
111.11710	27.1
117.01858	2.9
119.08566	18.1
120.08086	14.2
121.10121	21.4
122.09637	3.3
123.08042	4.3
123.11694	22.7
125.09596	11.0
127.03891	35.5
127.11185	3.9
129.01802	4.0
129.06970	2.2
129.10207	6.7
131.08546	7.6
133.10098	12.6
134.05997	11.7
135.06343	7.2
135.08017	3.8
135.11652	16.3
136.07544	6.3
137.05972	3.1
137.09584	5.3
137.13229	5.6
138.05443	4.3
139.11162	27.5
139.81671	2.4
145.04919	10.8
145.10086	7.8
147.04305	3.1
147.08058	2.1
147.11655	10.8
149.13220	8.5
151.11179	5.0
151.14819	9.7
153.12671	4.7
157.10118	5.0
157.12224	15.1
159.02901	13.8
159.11641	8.7
161.09624	4.8
161.13252	7.3
163.11183	2.2
163.14796	6.8
165.12714	2.8
169.15807	2.5
171.11656	3.0
173.13252	6.0
175.14760	6.1
177.16296	2.5
179.14287	2.3
187.11153	2.5
191.17906	6.0
198.09093	2.8
203.17940	4.1
209.18898	2.3
210.11455	5.1
213.04027	2.5
213.77797	2.2
215.17923	4.0
218.15488	3.9
220.16928	27.0
221.19057	3.1
222.18494	8.2
231.05022	5.4
238.17982	63.0
238.68102	3.8
239.18643	8.3
239.68974	4.4
240.19540	27.4
243.11278	2.9
256.18958	4.8
271.10745	3.9
271.24179	3.1
272.11093	6.3
273.11780	3.5
273.18344	3.0
277.25177	7.9
285.12476	3.3
287.12985	2.6
289.25220	14.2
290.24124	6.2
291.19363	2.9
294.20938	2.6
295.26389	14.3
300.10599	2.8
305.13953	2.7
307.22849	4.1
307.26242	27.6
315.13239	5.3
325.23679	2.7
325.27322	42.2
325.87329	2.2
349.27246	2.4
415.28241	4.9
440.20547	2.8
475.35336	49.3
477.36862	18.0
510.29227	2.4
537.27545	8.0
555.31604	3.8
563.86450	4.8
573.25861	41.9
573.34760	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	572.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96698	1.2
55.05499	3.3
56.22300	1.4
57.06788	1.9
57.07069	30.6
59.05001	1.5
65.49935	1.6
69.07078	1.5
69.96472	1.2
70.06580	1.4
70.40159	6.2
71.08622	35.5
73.06538	5.9
81.07027	2.4
83.08606	3.2
85.10173	28.1
87.04456	5.6
89.06018	100.0
93.07023	1.5
95.08611	3.3
97.10164	3.1
98.20899	1.7
98.98489	1.9
99.11743	3.4
107.07064	4.5
109.10129	1.8
117.09112	8.0
130.08629	6.6
130.83128	1.2
131.06993	2.4
133.08586	54.0
135.11696	1.2
141.16377	3.2
145.93524	1.6
155.01050	1.8
161.11716	2.4
164.23062	1.4
175.09641	1.6
177.11206	25.9
185.18993	4.9
219.12177	2.0
221.13869	4.7
229.21620	14.3
238.17982	2.6
239.14749	2.7
245.62939	1.4
273.24149	8.1
283.17456	2.9
313.27344	14.3
327.20093	3.4
371.22745	3.5
415.25366	5.4
475.35641	2.2
477.36557	2.6
482.15173	1.5
555.41003	17.3
566.91125	1.7
572.35291	2.5
572.42969	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	573.3028
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05505	2.6
57.03205	0.4
57.03432	5.1
57.07067	22.4
67.05492	4.5
69.07055	5.0
71.04975	0.6
71.08621	17.9
72.08083	0.4
75.04451	0.6
79.05463	0.7
81.03407	2.9
81.07043	8.1
83.08615	3.9
84.08946	0.4
85.10168	9.3
89.06017	0.8
89.08747	0.4
93.07027	0.9
95.08596	10.4
97.10148	2.4
98.21542	1.0
98.98453	23.7
99.11703	0.5
103.07570	0.6
109.02880	1.9
109.10142	4.8
111.11688	0.6
116.99489	0.6
121.10104	0.7
123.11676	1.3
127.03902	0.5
137.13220	0.8
140.01041	0.5
145.04921	0.6
155.01019	21.5
163.14885	0.4
173.02086	1.6
182.35046	0.4
210.38397	0.4
211.22337	0.4
211.69069	0.4
220.16953	0.9
221.22658	0.5
238.18088	1.0
239.23627	2.9
240.19449	0.4
243.02689	0.6
257.24649	0.4
261.03696	1.3
261.21970	0.5
311.25659	0.7
312.25974	0.4
313.27322	100.0
314.27759	1.3
317.06177	3.3
335.07352	1.9
393.23914	6.2
401.28741	3.3
475.35492	0.5
477.36664	0.7
537.28198	3.8
555.29230	0.7
573.48566	1.1
576.92395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01869	0.8
55.05500	6.1
56.05028	1.0
57.03438	0.6
57.05796	0.5
57.07063	0.3
58.06603	0.4
59.05000	0.4
60.04522	0.6
61.02908	0.5
65.03954	0.4
67.05495	2.7
69.03423	2.5
69.07058	2.9
69.87292	1.4
69.87699	0.5
70.06190	0.5
70.06583	9.9
71.04987	1.3
71.06918	0.4
72.08144	100.0
73.02914	0.9
73.08465	0.4
74.06066	0.3
79.05473	2.0
81.03413	2.0
81.07042	4.9
83.04961	0.8
83.08607	0.7
84.04488	1.4
84.08126	2.7
85.02888	4.2
85.06544	2.1
86.09692	73.4
87.00814	1.0
87.05575	3.8
87.10015	1.0
91.05460	2.2
93.07024	2.8
94.06561	0.6
95.04956	1.0
95.08601	3.7
96.08110	0.9
97.02875	1.4
97.06518	1.1
97.10121	0.5
98.09670	1.0
98.21462	0.7
99.04443	0.8
99.05614	0.4
99.08074	1.0
102.05524	0.3
104.05310	0.4
105.01835	0.5
105.07012	2.8
107.04925	0.7
107.07311	0.6
107.08556	2.6
108.08114	1.1
109.02853	1.3
109.06515	0.9
109.10131	3.0
110.07133	0.9
110.09693	0.6
110.10438	0.3
111.08065	1.0
111.11654	0.3
115.05029	5.0
115.08608	0.3
117.06992	0.3
119.04928	0.6
119.08563	1.7
120.08060	2.9
121.06496	0.6
121.08419	0.3
121.10136	2.0
122.09666	0.7
123.08051	0.7
123.11690	1.2
124.49765	0.3
125.09608	1.0
127.03894	2.4
127.08640	0.4
127.11185	0.3
128.06200	0.3
129.07104	0.3
129.10220	3.5
131.04900	0.3
131.08554	0.8
132.10190	0.9
133.10109	1.1
135.08020	0.5
135.11679	1.3
136.07549	1.1
137.05925	0.6
137.09583	0.5
137.13228	0.5
139.11127	0.4
140.14319	2.5
140.15251	0.4
141.10196	0.7
143.08517	0.5
143.11761	1.0
145.04935	0.7
145.10081	1.1
146.09572	0.4
147.04362	0.4
147.07918	0.3
147.11633	1.0
149.09599	0.7
149.13235	0.7
151.11140	0.8
153.12671	0.6
155.10625	0.6
155.11737	3.2
157.09935	0.6
159.02888	0.8
159.07867	0.4
159.11642	0.7
161.09616	0.4
161.13210	0.4
163.11145	0.6
165.12724	0.5
167.07027	0.4
167.10619	0.4
168.11362	0.4
169.09723	2.7
171.11258	2.5
173.09396	0.5
173.13142	0.6
175.11105	0.4
181.12219	0.4
183.11281	5.0
183.14923	0.4
185.13159	0.4
185.16505	1.6
186.12358	5.7
187.11009	0.5
189.03641	0.3
189.16330	0.4
199.18019	6.3
200.13892	0.6
201.16299	0.4
204.13849	0.4
211.18050	0.4
213.12633	0.4
213.16017	1.4
214.11832	27.6
218.15283	0.4
220.16928	3.5
221.17239	0.5
222.18541	2.0
226.08305	0.3
227.17490	7.3
228.13402	4.0
230.16159	0.3
231.04718	0.3
236.16411	0.5
238.18001	5.3
238.68207	0.5
239.18526	1.6
239.20883	0.5
240.19556	3.8
241.19734	0.6
245.18544	4.3
253.22726	0.8
255.11024	0.6
256.19009	0.6
257.85907	0.3
259.20508	1.5
270.18170	0.4
281.22171	0.7
282.18057	4.0
287.23495	0.8
299.20731	10.9
300.20642	0.3
305.21463	0.4
305.24631	2.2
313.22128	0.6
323.05673	0.3
323.25659	1.1
325.18686	1.3
325.69043	1.5
327.20209	31.6
341.21826	3.2
358.26959	2.5
367.26718	1.0
383.25861	0.3
395.26382	4.7
412.29120	16.0
422.27399	0.6
429.25366	0.3
440.28641	17.3
441.29352	0.3
475.35193	2.7
477.36447	0.7
508.34744	0.4
525.36969	0.9
553.36542	1.2
561.85480	1.7
562.36035	3.6
562.86005	1.9
570.85681	1.3
571.37628	2.4
571.87030	0.5
572.29193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
57.03415	0.5
69.03433	1.7
70.06230	0.6
70.06585	7.3
70.99847	0.3
71.05013	0.5
71.11736	1.0
71.12082	0.4
72.08140	1.0
77.00887	0.6
81.03413	0.6
82.99880	2.0
84.04494	0.8
84.08131	3.9
85.02896	2.7
86.06062	0.5
86.09676	1.1
86.55498	0.3
94.99845	0.8
97.02880	3.3
99.14361	0.3
101.00858	5.3
105.00362	0.8
109.02844	1.4
110.07142	2.5
112.08705	0.6
113.00873	1.0
115.02422	1.0
115.08682	0.6
119.01907	28.0
122.07156	0.5
123.05527	1.5
126.09081	0.5
127.02403	1.8
127.03887	1.5
129.00331	0.7
129.04007	0.5
129.06493	0.3
129.10214	1.4
131.01894	10.6
133.03455	5.5
136.06174	4.2
137.01950	0.6
137.02943	4.3
138.05495	0.5
139.02429	0.9
142.03500	1.1
143.01878	21.5
145.03455	14.1
145.04706	0.7
147.01375	2.2
147.05000	1.4
149.02933	2.8
151.04486	1.0
153.04005	0.5
155.01868	14.6
157.03439	8.3
157.04718	0.5
159.05019	0.6
161.02939	33.1
162.03098	0.5
163.02699	0.5
163.04015	1.8
167.01880	6.8
168.99799	3.6
169.03452	3.5
171.01376	1.9
171.05008	3.7
173.02940	30.0
174.02977	0.5
175.03046	0.6
175.04523	3.7
175.11969	0.4
177.02368	0.8
179.01878	2.7
179.03204	0.3
179.03947	0.4
180.99826	0.4
181.03482	0.5
183.01283	0.8
183.05058	0.8
184.04526	1.2
185.02939	45.6
186.03197	0.4
187.00868	6.3
187.02429	0.6
187.02763	0.4
187.04495	6.0
189.02367	2.1
189.06062	1.1
191.03949	3.4
196.04536	1.3
196.99246	1.3
197.02939	17.6
199.00911	3.1
199.04523	1.6
201.02379	2.2
201.06033	0.8
203.03976	14.6
203.06949	0.5
205.02098	0.5
208.04509	1.4
209.02971	1.7
213.02451	1.3
215.00404	8.1
215.03958	12.5
216.03963	0.5
217.01958	2.9
219.03468	2.7
220.04527	0.4
221.03018	0.7
221.05028	4.9
225.02362	0.5
226.05634	0.5
227.00519	0.5
227.03978	9.6
229.01814	2.9
231.03403	4.0
231.07053	0.6
233.05058	1.0
237.02397	0.5
238.05663	0.5
239.04030	0.8
241.01883	1.7
243.03537	1.0
245.05040	100.0
246.05257	1.9
247.02914	7.9
247.05147	0.6
249.04697	0.5
257.01337	0.4
257.02271	0.5
257.05029	5.4
259.02921	2.6
261.04495	0.9
263.06110	13.0
265.07770	0.4
271.02963	4.1
273.04529	1.0
274.07819	0.5
275.02512	3.2
275.06064	12.0
277.04047	0.9
286.07608	1.1
287.06064	0.8
289.03983	7.7
289.07043	0.9
291.05643	0.9
291.09134	0.8
293.07159	3.6
293.10455	0.6
299.02429	2.6
301.04013	2.5
303.05457	1.5
305.03616	0.6
305.07135	11.0
307.05017	7.9
307.08459	0.6
315.05505	0.7
317.03372	1.0
317.07056	0.9
319.04929	3.2
321.06488	1.1
321.10199	1.1
330.06451	0.5
331.05029	8.6
333.06631	1.9
335.08139	6.3
337.06192	0.9
343.05023	1.1
347.08115	0.6
349.06100	12.6
359.04416	3.2
361.06134	1.7
365.09247	20.0
366.09512	0.4
373.06192	0.5
377.05524	3.6
379.07053	0.7
383.10107	1.1
391.06943	5.1
406.11816	0.5
409.08292	3.0
411.09564	1.5
442.12170	0.6
451.09128	0.5
453.10318	0.4
455.13641	0.5
469.10367	2.7
481.10202	0.8
483.11868	1.8
511.11395	11.5
539.10944	4.3
541.12463	1.0
570.33746	0.7
571.13104	2.8
571.28802	2.0
580.43127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.07069	73.0
59.04992	3.9
67.58546	1.6
69.07053	9.9
71.08624	60.5
71.68113	2.6
71.72665	1.7
73.06548	8.6
79.05469	1.6
83.08621	4.8
85.09658	2.7
85.10173	46.9
86.66963	1.8
87.04464	6.4
89.06020	100.0
97.10149	4.1
99.11722	10.1
101.95079	1.5
103.03958	9.7
105.07018	2.1
107.07066	3.7
111.11684	4.8
113.13274	7.5
117.09116	6.1
125.13208	1.9
127.14847	4.0
130.08647	4.0
131.07036	2.7
133.08588	72.6
135.10114	2.2
150.87917	1.6
161.11848	1.9
167.90047	1.6
177.11194	32.5
183.21100	2.6
199.20453	2.4
202.65559	1.6
216.89255	1.7
221.13847	6.6
239.14908	3.8
271.26361	5.9
283.17462	6.0
298.44998	1.6
315.28894	6.2
315.53397	1.7
327.20178	4.0
362.79102	1.7
371.22681	17.8
553.43073	29.7
565.90808	4.2
570.46167	10.6
571.46863	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	570.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
57.07067	100.0
57.36859	0.8
57.53132	0.8
59.04712	1.2
59.04992	19.4
59.12445	0.8
62.25498	0.8
66.60819	0.8
69.07039	2.3
70.03416	2.1
70.03833	3.3
71.08621	72.6
73.06534	0.9
81.07039	1.2
82.06544	2.1
82.43048	0.9
83.08601	1.6
85.10170	59.8
87.04454	5.2
88.98528	0.8
89.06016	86.7
91.07542	1.0
93.06999	1.3
94.15897	0.8
95.08582	1.1
97.10154	2.9
97.38805	1.1
98.20844	1.2
99.11725	12.7
100.07586	1.3
101.09636	2.1
103.07565	0.8
107.07039	3.9
111.11755	1.0
113.13267	4.6
117.09126	4.7
119.41615	0.9
128.07071	0.9
130.08650	4.5
131.07037	2.5
133.08583	59.8
135.10114	0.9
139.80908	0.9
146.08133	5.8
147.10153	1.5
155.17935	10.0
173.86917	0.8
175.09666	1.0
177.09651	1.7
177.11206	32.1
191.12869	0.8
195.12230	1.5
213.22099	21.5
217.84119	0.9
219.65997	0.9
221.13847	4.9
235.15427	1.1
235.56831	0.9
239.14841	2.7
254.24770	2.1
265.16580	1.4
271.26257	10.9
283.17459	23.1
283.20398	1.7
308.28046	1.0
323.20554	1.3
327.20062	2.6
341.21609	9.8
353.22546	1.1
371.22672	23.9
381.24823	1.4
428.05029	1.1
553.43329	4.0
565.91052	3.0
568.47736	1.0
569.45325	1.0
570.45874	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	568.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05507	9.9
57.07052	5.3
65.03931	3.5
67.05490	13.8
69.03409	1.9
69.06750	1.6
69.07059	13.1
71.68207	2.9
79.05482	23.1
80.06260	3.1
81.06590	2.3
81.07048	33.9
83.04960	2.3
83.08595	4.5
85.06531	3.9
91.05468	38.7
92.06255	2.1
93.07027	50.6
94.07806	1.6
95.04954	45.5
95.08591	25.6
99.55740	1.3
103.05431	2.2
105.07016	74.8
106.07836	2.4
107.08574	46.2
108.09360	2.3
109.06508	5.4
109.10134	18.8
115.05448	4.7
117.07004	26.0
118.07794	3.3
118.46466	1.6
119.08565	100.0
120.09351	7.4
121.06467	2.4
121.10126	31.4
123.08052	15.5
123.11687	6.7
125.09620	2.8
125.41941	1.4
128.06207	8.5
129.06987	18.0
130.07791	8.3
130.08652	1.8
131.08554	49.4
132.09338	10.0
133.06549	2.0
133.10109	53.4
134.10904	7.4
135.08041	4.6
135.11676	16.8
137.09586	6.5
138.10376	8.2
139.11096	2.0
141.06987	7.4
142.07751	17.9
143.08539	40.6
143.09546	1.5
144.09375	11.3
145.06482	1.7
145.10107	87.7
146.10846	3.3
147.08025	3.2
147.11676	28.5
148.08731	1.4
149.09584	5.3
149.13234	4.7
151.11159	3.8
153.06992	2.2
154.07755	3.4
155.07367	2.1
155.08537	16.8
156.09326	15.4
157.10109	49.7
158.10899	11.4
159.11667	37.5
160.12421	4.3
161.09578	4.7
161.13235	7.7
163.11195	3.8
165.06950	4.8
166.07741	3.1
167.08553	6.1
168.09303	5.7
169.10117	25.1
170.10890	7.4
171.11659	31.9
172.12424	8.0
173.13240	28.3
175.14813	19.7
177.12737	4.4
179.08560	8.3
180.09277	3.9
181.10088	14.6
182.10902	9.6
183.11668	23.9
184.12349	5.0
185.13240	24.5
186.14034	6.6
187.14803	14.4
189.12720	5.3
191.14278	10.0
192.09323	3.6
192.15001	3.4
193.10130	8.2
194.10863	8.1
195.11664	16.2
196.12453	7.7
197.13217	28.5
198.13998	4.7
199.14799	13.4
200.15540	2.0
201.12709	5.2
201.16394	5.3
203.14314	3.1
205.10144	1.5
205.15784	2.6
206.10907	4.1
207.11655	8.4
208.12411	4.7
209.13206	26.7
210.14134	3.6
211.14801	16.8
213.16357	6.2
215.17879	1.4
217.15878	4.8
219.11694	2.4
219.17455	2.8
221.13266	7.5
222.13937	3.5
223.14755	9.3
224.15495	6.8
225.16435	7.6
226.17128	2.4
227.17966	2.9
229.15894	2.4
231.11499	2.0
233.13188	4.0
234.13994	2.0
235.14780	7.8
236.15385	2.1
237.16344	8.3
239.17975	5.7
241.19583	3.6
243.17348	1.4
247.14720	3.2
249.16321	4.3
251.17819	2.3
253.19492	3.3
255.17357	2.6
257.19019	1.9
259.20456	2.6
261.16357	3.4
263.17902	5.7
265.19528	3.5
270.19836	1.8
275.17853	3.5
277.19510	2.8
283.20526	4.2
291.21063	1.8
297.21979	3.3
323.23618	6.3
324.24484	1.9
337.25235	4.4
338.25970	55.2
347.27237	2.0
362.25818	1.9
420.30264	2.3
430.32303	15.9
476.30261	2.6
476.36462	26.7
568.42633	44.5
568.56018	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01853	4.9
55.05503	13.5
56.05017	2.5
57.03426	2.1
64.91826	1.0
65.71686	1.2
67.05493	13.8
69.03423	10.9
69.07059	7.8
70.06577	23.7
70.18909	6.0
71.04996	3.3
72.08141	8.0
73.02900	2.4
79.05486	17.5
81.03411	8.2
81.07040	25.4
83.04958	2.7
83.08604	5.9
83.29003	1.1
84.04481	3.4
84.08132	5.4
85.02897	18.7
85.06503	2.7
86.09695	19.1
87.00836	6.5
87.10007	1.2
91.05460	8.0
93.07040	9.7
94.06553	1.5
95.04934	4.1
95.08588	21.2
96.08121	2.5
97.02871	4.9
97.06518	3.4
97.10151	14.2
99.04452	3.7
100.02206	2.1
103.05457	1.7
104.05284	1.3
105.01841	4.0
105.07025	17.5
107.08574	16.6
108.08086	1.8
109.02845	5.7
109.06512	3.4
109.10137	13.3
110.07130	3.4
111.08073	2.3
114.36897	1.3
117.07047	1.2
119.08562	9.7
120.08084	6.4
121.06486	1.2
121.10111	9.6
123.04397	1.4
123.08044	30.1
123.11736	2.3
125.09604	14.2
127.03893	8.9
129.06982	1.8
129.10205	3.5
131.08556	3.6
133.06467	2.3
133.10115	6.6
135.08022	5.3
135.11649	5.3
136.07590	2.7
136.25435	1.3
137.05980	2.2
137.09558	3.8
139.07532	2.9
143.08502	1.4
145.04921	3.1
145.10072	4.6
146.02634	1.3
147.02914	1.3
147.11633	9.8
149.09593	3.8
149.13264	2.0
151.07524	15.3
151.11118	2.0
153.09041	1.9
153.12730	1.4
157.10170	1.4
159.02855	2.7
159.11719	1.4
161.09608	3.6
161.13165	2.3
163.11182	2.1
165.09082	1.7
165.12804	2.7
171.11641	3.9
173.13190	2.8
175.11176	1.8
179.10634	3.5
187.09538	1.2
187.14839	2.3
189.16348	4.9
191.14360	1.6
203.17859	5.0
207.13567	1.4
213.16341	8.9
220.16861	4.9
221.18968	1.5
222.18523	2.7
225.18318	1.2
231.17412	9.7
238.17969	17.9
239.18719	9.1
239.68869	3.5
240.19547	9.8
241.19862	2.0
249.18446	23.7
256.19083	1.7
267.19498	98.3
268.19955	1.4
285.20557	100.0
303.21597	47.7
315.17084	1.3
353.23108	2.4
367.58224	1.3
418.63925	1.3
428.26984	1.3
477.37045	2.2
478.37021	5.4
505.39822	2.5
550.34900	2.0
568.34717	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67266	0.7
53.03916	2.4
55.01850	3.2
55.05497	3.1
57.03406	3.1
61.02908	1.7
67.05486	10.0
68.99757	0.9
69.03419	10.4
69.07047	4.8
70.06582	7.3
70.26500	3.1
71.04983	2.5
73.02909	1.8
79.05477	10.4
81.03412	7.4
81.07034	10.5
83.04969	0.9
83.08607	5.7
84.08141	1.1
85.02889	29.4
86.09660	2.7
87.00816	12.3
87.04454	0.8
91.05460	9.7
93.07027	17.7
95.04925	1.4
95.08584	9.8
97.02302	0.9
97.02868	9.1
97.06510	2.7
97.10146	1.9
99.04442	5.3
99.08048	2.3
105.01842	11.9
105.06998	4.9
107.08572	11.0
109.02869	11.1
109.06477	1.1
109.10152	4.3
111.08067	3.0
113.09669	1.0
117.01815	1.0
117.06997	1.8
119.08561	6.0
120.08066	1.8
121.10120	26.0
123.08037	1.8
123.11664	1.9
125.09589	1.7
125.73580	0.7
126.05454	1.0
127.03896	14.4
129.01781	0.9
131.08571	5.3
133.10104	10.0
134.05959	1.4
135.07977	2.6
135.11668	10.2
137.09592	11.6
139.11157	1.4
145.04919	3.6
145.10141	1.7
147.11670	5.4
149.09589	5.3
151.11148	6.3
153.09084	5.0
157.10107	1.3
159.02867	3.7
165.12769	1.1
167.10645	1.0
171.11595	1.5
178.04956	0.8
203.14365	0.8
203.17924	2.6
213.03778	0.9
213.16325	8.2
220.16939	1.3
221.19000	2.1
224.99179	0.8
231.04939	3.4
231.17374	7.4
238.17931	3.0
239.18703	2.3
240.19626	1.4
241.19867	1.0
249.06110	1.7
249.18457	100.0
250.18819	1.2
267.19492	75.3
285.20544	44.8
301.11731	2.0
302.12085	2.2
303.21515	4.9
346.01459	0.8
442.00742	0.8
475.35806	1.0
478.37094	1.1
501.32990	0.9
591.54236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4191
Annotation	Eschscholtzxanthin
Peak:m/z	Relative Intensity
51.20531	2.6
53.03946	4.4
55.05507	13.5
57.07061	9.6
67.05487	22.9
69.07063	21.8
79.05486	20.4
81.07034	35.5
83.08624	11.7
85.06565	4.3
91.05468	39.6
93.07027	54.8
95.04980	9.0
95.08592	44.1
104.27029	3.5
105.07010	64.6
107.08581	54.6
109.10132	30.5
115.05426	8.5
117.07003	19.3
119.08562	83.1
121.10115	41.2
123.08075	3.4
123.11706	8.8
125.41531	2.9
128.06165	6.7
129.06975	10.5
130.07780	6.7
131.08539	43.0
133.10104	51.6
135.08073	3.3
135.11690	31.0
137.09595	6.3
139.11063	3.5
141.06978	7.3
142.07724	15.8
143.08569	27.3
144.09337	7.3
145.10101	60.5
147.11684	22.6
147.92790	3.2
149.09575	7.2
149.13264	4.0
153.06956	5.5
155.08568	12.8
156.09354	10.1
157.10101	44.9
158.10837	7.8
159.11670	43.8
161.09598	3.3
161.13237	9.3
163.11209	3.6
165.06995	5.5
167.08530	6.7
168.09390	6.1
169.10086	22.4
170.10896	5.4
171.11646	33.2
173.13229	28.1
175.14818	24.3
177.12701	4.6
178.07784	3.8
179.08533	6.7
180.09328	4.4
181.10066	17.5
182.10945	6.8
183.11655	25.0
184.12488	5.9
185.13171	17.2
187.14804	21.4
191.14290	4.0
193.10138	11.2
193.16013	4.4
194.10889	10.1
195.11717	19.2
196.12465	8.9
197.13251	22.4
199.14803	17.2
200.66449	3.0
201.16365	20.0
206.10907	3.5
207.11693	13.9
208.12405	5.4
209.13226	23.1
211.14806	16.5
213.16354	3.5
217.15837	9.0
219.11873	3.6
219.17468	12.2
220.12463	4.2
221.13232	12.8
221.15201	4.1
222.14015	3.3
223.14854	11.0
225.16402	8.5
227.14285	3.5
229.15953	3.8
233.13251	8.6
234.14088	5.5
235.14749	9.4
236.15527	4.4
237.16399	11.3
238.18037	7.4
239.18181	5.7
241.19434	6.8
244.12546	4.2
245.13376	3.5
247.14822	9.7
249.16403	5.4
250.16884	3.8
251.17894	4.1
253.19386	6.0
258.13666	3.7
259.20529	8.7
260.15576	3.4
261.16418	5.5
263.17953	5.9
265.19629	6.7
267.21082	4.5
271.20551	6.1
273.16272	4.0
275.17844	8.2
277.19379	7.3
283.20520	9.2
285.16354	4.5
287.17831	6.2
289.19785	4.0
293.19031	4.2
295.20526	8.3
297.21991	5.2
300.18646	4.0
309.22028	5.2
327.20908	3.5
331.24277	4.9
335.23505	3.9
337.25031	8.3
349.25259	19.5
361.25159	13.0
414.29297	5.1
427.29980	4.1
457.34427	4.2
475.35611	31.7
488.36581	3.6
531.39459	3.5
549.40857	29.2
567.41858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.4
56.05017	0.7
58.06332	0.3
58.06585	0.6
59.04973	0.4
60.08154	7.4
67.05491	0.6
69.07034	0.6
70.06577	2.1
71.04989	0.4
71.07365	2.8
71.38243	0.4
71.51629	0.3
72.08141	0.4
79.05466	0.4
81.07032	1.6
83.08589	0.4
84.08106	0.8
85.02857	0.6
86.09693	31.2
87.04437	0.3
89.06001	1.2
91.05451	0.3
93.06989	0.7
95.08579	1.2
95.27034	0.3
98.98454	3.2
102.90497	0.3
104.10739	3.6
105.01970	0.3
105.06989	0.3
110.07133	0.4
120.08115	0.8
121.10116	0.4
124.99989	20.7
133.08591	0.5
135.69162	0.4
137.05959	1.5
147.11668	0.5
177.11353	0.3
178.04916	0.3
184.07315	100.0
185.07616	0.4
220.17014	0.4
238.18111	0.7
239.18515	0.3
240.19527	0.7
264.19568	0.4
339.10260	0.3
363.13187	0.3
368.70389	0.4
390.26117	0.3
476.35583	0.5
503.38382	1.3
548.29614	1.1
566.30835	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	566.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01868	0.7
55.05507	3.4
56.05030	1.5
57.03413	0.6
57.07080	0.4
58.06586	0.9
61.02916	0.3
65.03924	0.7
67.05130	0.3
67.05493	5.2
68.05022	0.5
69.03415	1.7
69.07061	2.0
70.06584	13.7
70.29433	1.3
71.04990	1.5
71.06921	0.7
72.08144	3.5
73.02882	0.6
74.06063	0.8
76.04005	1.5
79.05479	3.0
80.05009	0.6
81.03396	1.8
81.07047	5.4
82.06559	1.2
82.07384	0.3
83.04971	0.8
83.06080	0.3
83.08605	1.3
84.04486	1.8
84.08129	4.0
85.02883	2.6
85.06528	1.1
86.06071	0.3
86.09695	8.5
87.00817	0.5
87.04443	0.3
87.05587	0.6
87.10058	0.4
88.03987	0.6
91.05460	2.9
93.07035	3.7
94.06561	3.6
95.04955	1.0
95.06077	0.4
95.08595	6.6
95.76095	0.2
96.08108	1.6
97.02882	1.2
97.06509	0.4
97.10172	1.1
98.06091	0.4
98.09695	0.4
99.04433	1.9
101.07109	0.4
102.05550	0.7
103.05444	0.5
105.01859	0.3
105.07015	4.3
106.06577	0.6
107.04939	0.6
107.07330	1.0
107.08586	2.7
108.04438	0.3
108.08114	2.8
108.08791	0.4
109.02862	2.7
109.06497	1.4
109.10159	1.8
110.05997	0.3
110.07147	1.8
110.09682	1.0
111.04430	0.3
111.08057	0.8
112.08709	0.4
113.06018	0.4
113.07059	0.3
114.07007	0.3
115.05479	0.3
115.08707	0.5
116.07069	0.8
117.07001	0.7
119.04948	0.9
119.08551	2.3
120.08088	6.8
121.06506	0.6
121.08932	1.9
121.10126	1.4
122.09653	5.2
123.08044	0.7
123.11702	0.7
124.11217	1.1
125.06051	0.4
125.09612	0.6
126.05511	0.4
127.03899	4.2
127.07548	0.3
128.06166	0.4
128.10677	0.4
129.05566	0.3
129.07033	0.4
129.10222	2.7
130.05019	0.6
130.06511	0.8
130.08667	0.3
131.04886	0.3
131.08536	1.5
132.08073	0.7
133.06387	0.3
133.10149	2.1
134.09631	2.9
135.08020	0.7
135.10403	0.9
135.11655	0.7
136.07556	1.9
136.11200	6.6
137.05965	1.4
137.09607	0.6
143.08505	0.6
145.04939	0.9
145.10068	1.6
146.05968	0.3
147.04399	1.3
147.07800	0.3
147.10477	0.3
147.11646	0.8
148.11151	1.4
149.09665	0.5
150.12663	0.3
151.07552	0.5
153.01782	0.4
157.10027	0.7
159.02879	0.4
159.07980	0.5
159.09175	0.6
159.11606	0.5
161.09628	2.2
161.13249	0.4
162.05457	0.4
162.12688	0.5
163.03870	0.4
163.11206	1.0
166.08653	0.4
169.13416	0.3
171.11560	0.3
173.09531	0.3
173.13153	0.4
175.14847	0.4
176.14299	0.4
177.05473	0.4
177.12720	0.3
179.10631	0.6
185.13194	0.4
187.11124	0.5
187.14838	0.5
189.09065	0.7
189.12680	0.5
190.15898	0.6
199.10793	0.3
201.12392	0.5
207.17424	0.3
211.14731	0.4
218.15398	0.6
218.19067	0.9
220.16975	2.7
221.17310	0.8
222.18501	6.4
223.18854	0.7
225.11243	0.6
228.17384	0.3
235.10927	0.4
236.16414	0.9
238.17987	8.3
238.68272	0.5
239.16374	0.5
239.18626	3.5
239.68987	1.4
240.19557	24.2
241.20122	0.9
243.11385	0.7
244.16997	0.5
246.18495	8.2
246.67882	0.4
247.18907	0.3
248.20085	0.9
252.19664	0.7
256.19092	0.8
262.18112	0.4
263.13983	0.4
264.19553	32.6
265.17746	0.7
266.21103	5.6
268.22604	0.4
269.11942	0.5
282.20627	3.8
283.18973	3.4
287.05478	1.0
288.15448	0.5
300.21667	1.1
301.20166	0.3
315.12289	0.4
333.13214	0.4
351.14401	0.9
351.21811	0.4
395.98911	0.3
404.14636	0.4
475.35275	0.6
476.35593	1.2
477.36914	1.8
478.37225	2.8
485.37363	0.7
503.38373	100.0
504.38489	2.1
531.24225	0.3
566.24640	0.4
566.32245	0.8
567.28961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55265	1.0
56.05022	4.1
57.19113	0.8
60.04496	1.9
69.03435	1.2
69.07070	1.5
70.02940	1.7
70.06581	11.5
71.63113	1.1
71.63498	1.2
72.08144	5.7
72.40432	1.0
74.06074	14.3
75.05591	0.8
75.83570	0.8
82.06554	1.1
84.04498	9.9
84.08134	84.2
85.02896	1.2
86.09692	3.2
87.05578	7.0
87.89857	0.8
88.03970	2.2
91.05460	6.1
98.02386	2.6
98.06017	1.5
100.07627	1.6
101.07138	1.4
101.10768	2.9
102.04558	1.0
102.05526	1.5
102.79655	0.9
103.05459	2.1
108.08106	3.1
110.07159	3.1
111.05555	3.2
111.09184	1.0
112.07588	1.0
113.07134	1.2
116.07066	1.0
119.04938	1.0
120.08089	28.2
121.08414	1.3
126.05495	6.0
127.03915	0.9
127.08688	1.6
129.06586	7.2
129.10226	100.0
130.08611	1.8
130.10564	1.4
136.06235	1.3
136.07545	2.6
139.04987	1.5
139.08696	3.2
141.06554	2.2
141.10231	3.5
143.08148	9.2
145.02878	1.2
147.11200	1.3
151.08627	2.0
152.07083	1.1
153.06581	1.7
154.05009	1.0
155.04546	2.1
156.07776	1.8
163.03868	5.7
166.08632	10.4
168.11292	1.1
169.09741	3.9
170.05595	1.1
170.09235	1.1
171.07614	5.4
172.43851	0.9
177.05478	2.2
180.11368	1.2
181.06042	4.5
186.12369	26.7
188.10237	4.6
196.07181	1.5
196.10822	2.7
198.08696	2.2
199.07104	6.2
204.13515	1.8
208.10886	2.0
216.09789	10.3
225.13515	1.6
228.09702	0.9
245.67838	1.0
253.12982	3.2
255.10873	1.9
269.16217	1.4
273.11993	3.5
279.14511	1.2
287.17035	1.8
289.03592	1.9
294.18127	5.6
297.15585	1.2
338.18280	1.3
348.43631	0.9
351.20322	6.9
356.19467	1.0
364.74603	0.9
372.67508	1.1
381.21625	1.1
383.20282	2.7
384.18753	2.0
401.21429	5.8
451.06979	1.9
452.25092	1.3
530.26691	1.2
531.25726	1.3
548.28479	4.6
549.26764	6.3
566.29248	90.2
567.29346	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	565.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61322	0.3
55.05492	0.9
57.07058	0.5
67.05495	0.6
69.03410	0.8
69.07053	0.7
70.06586	3.8
72.08151	0.5
75.60264	0.5
79.05511	0.4
81.03384	0.4
81.07037	0.7
84.04497	0.4
84.08134	1.0
85.02886	0.5
86.09682	1.9
88.00905	0.4
89.06021	0.4
91.05476	0.7
95.08583	1.0
96.08125	0.4
96.14574	0.3
109.02842	0.4
109.10147	0.6
111.08119	0.4
113.05859	0.5
119.01868	0.4
120.08103	0.8
123.11656	0.4
127.03887	0.6
129.10225	0.7
136.07553	0.5
149.02332	6.0
159.11697	0.4
171.00548	0.8
175.07573	0.4
199.04503	0.5
199.07312	1.2
203.05270	0.5
221.04967	0.4
238.18007	1.2
239.18579	0.5
240.19437	0.9
243.06145	0.8
245.08064	1.9
261.07291	2.7
275.10910	1.7
289.05185	0.5
299.12567	5.9
317.13657	13.4
333.34207	0.5
337.19928	0.4
345.13104	1.3
406.93909	0.4
423.12427	0.8
461.17596	0.9
475.35138	1.2
479.18787	11.2
521.19873	33.1
564.37488	0.6
565.18872	100.0
566.19006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1554
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
54.45583	0.1
55.01867	0.4
55.05490	0.7
55.15953	0.1
56.05020	0.4
57.03182	0.2
57.03432	2.9
58.06590	0.2
61.02908	0.8
61.72883	0.2
65.03948	0.2
67.05486	0.6
68.99785	0.4
69.03420	2.5
69.07043	0.5
70.06584	5.1
71.01339	0.3
71.04984	6.3
71.06908	0.2
72.08145	1.8
73.02909	4.9
73.08465	0.2
74.06054	0.2
75.04446	0.4
79.05468	0.7
81.03399	0.5
81.07072	0.8
82.06554	0.2
82.72093	0.1
83.04975	1.4
84.04478	0.7
84.08155	1.2
85.02895	9.4
85.06531	0.3
85.58348	0.2
86.06095	0.2
86.09692	3.9
87.04449	0.3
87.10027	0.3
88.03986	0.2
91.05455	0.6
93.07018	0.7
94.06568	0.2
95.04955	0.4
95.08596	0.7
96.08105	0.4
97.02874	2.8
97.06487	0.2
98.06057	0.2
99.04436	0.3
102.05496	0.3
104.05346	0.2
104.33933	0.2
105.07015	0.2
107.04921	0.3
107.07363	0.2
107.08547	0.4
108.08086	0.5
109.02853	0.5
109.10117	0.2
110.07141	0.5
111.00785	0.6
111.04425	1.0
113.02354	0.3
113.05983	0.4
115.03905	1.6
119.04941	0.2
119.08577	0.3
120.08083	1.6
121.02858	2.3
121.08413	0.2
122.09629	0.3
123.04444	0.3
124.11093	0.2
127.03882	0.4
129.05478	1.8
129.06888	0.2
129.10210	0.9
130.04987	0.2
130.08580	0.2
132.08116	0.2
133.02829	0.3
133.04980	0.3
133.10089	0.3
135.04445	0.2
136.07541	0.7
137.02319	0.7
137.05928	0.2
143.11835	0.2
145.06404	0.2
147.04399	0.6
147.06480	0.6
147.07588	0.2
153.01814	2.7
155.08170	0.2
157.04987	0.4
157.06325	0.3
162.02176	0.3
163.03932	0.2
165.01830	1.6
171.04367	0.2
171.11475	0.2
175.03891	0.2
179.04744	0.2
183.02832	0.8
183.14911	0.2
185.05937	0.3
189.05511	0.2
197.05945	0.2
203.10208	0.3
213.05428	1.0
220.15111	0.2
220.16898	0.9
222.18474	0.8
225.07516	1.3
231.06557	0.5
238.17979	2.6
238.68185	0.3
239.18704	0.8
240.19571	3.3
240.69742	0.3
241.04890	0.8
241.19852	0.7
243.11150	0.1
247.18446	0.2
256.19043	0.2
258.05200	0.7
259.05927	0.4
260.52069	0.2
262.07227	0.2
269.04544	0.3
270.18130	0.2
271.18500	0.2
281.24741	0.2
287.05463	100.0
288.05869	1.3
299.05597	0.5
299.25742	0.3
309.08670	0.2
329.06421	0.4
353.06396	0.4
365.06851	0.2
383.07654	0.8
419.09665	1.2
475.35312	1.1
477.37042	1.1
479.38367	0.4
506.86938	0.3
564.37238	0.5
564.87018	0.6
565.32489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98611	1.0
51.72227	1.1
56.15546	1.0
58.06588	1.8
60.07883	1.1
60.08157	16.2
67.01101	1.0
67.05495	1.4
70.06588	1.2
71.07366	8.0
71.71078	1.2
72.04498	1.0
79.05478	1.3
81.07050	2.1
84.08134	5.3
86.09695	50.4
95.08599	2.1
98.98462	2.9
104.10726	100.0
107.08598	1.2
109.73038	1.0
123.08048	2.4
124.99982	24.4
130.08624	6.4
179.14311	1.6
184.07323	93.3
227.03679	1.1
239.40265	1.2
305.24698	1.6
323.09802	1.3
544.33740	8.2
560.55249	1.2
561.85065	2.6
562.35059	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.6
56.47124	0.4
60.04496	0.5
69.65562	0.9
69.65958	2.6
70.06573	1.5
72.08141	0.6
84.04488	0.9
84.08121	1.5
85.02900	0.5
86.09659	1.0
91.05476	0.8
92.15611	0.4
94.04014	0.5
110.07137	0.8
119.03490	0.7
120.08086	0.6
123.05516	0.5
129.10213	1.4
131.12546	0.4
135.04369	0.5
136.06154	100.0
138.70369	0.4
142.12405	0.4
163.03873	1.4
163.16876	0.4
203.31148	0.4
227.60866	0.4
268.10345	33.0
468.01682	0.5
564.25745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41417	1.0
53.03930	2.1
55.01848	1.0
55.05493	2.1
56.05019	3.6
57.03426	1.8
59.04978	3.7
60.04507	4.1
60.06829	1.1
60.93010	1.0
61.01120	1.0
61.02919	2.4
62.02082	0.9
67.05490	1.0
69.03421	5.7
69.07050	1.0
70.02934	1.7
70.06580	43.5
70.32432	3.2
70.32841	2.0
71.04978	1.2
71.06921	1.0
72.08140	12.1
73.08494	0.9
74.06071	3.2
76.02218	1.6
79.05489	1.1
81.03407	2.3
81.07019	1.4
83.06098	1.6
84.04490	11.8
84.08133	17.2
85.02892	19.3
85.08431	2.0
86.06022	0.9
86.09221	1.6
86.09693	19.1
87.05563	1.8
87.10023	2.1
88.03973	3.0
89.03866	1.5
89.06030	1.1
91.05476	3.8
93.06990	1.1
95.04913	1.4
95.06084	1.5
97.02893	5.7
99.04395	1.3
101.07130	2.3
102.05528	6.1
104.05315	2.5
105.07005	1.4
107.04929	2.0
109.02887	1.7
110.07151	8.4
112.08705	1.4
113.07140	1.1
115.08721	1.4
116.07069	2.9
117.03377	4.9
119.04888	2.8
120.08084	9.0
127.03880	3.8
127.08656	1.7
129.10243	8.8
130.05000	3.0
130.08664	1.7
133.06114	1.2
135.04399	2.5
136.07581	9.3
137.05957	2.5
145.02821	22.4
145.04849	2.3
147.04378	3.0
147.07640	2.1
149.05931	2.7
149.63054	1.0
152.04668	1.8
155.08118	1.3
156.07652	2.0
159.04431	1.5
159.09206	2.9
161.05989	2.5
163.03893	5.0
164.07059	1.1
167.07011	100.0
168.07370	1.4
169.13275	1.5
171.11372	1.2
173.05882	1.1
173.09366	1.3
173.12889	1.7
177.05441	55.7
178.05936	1.7
179.07072	1.1
180.08618	1.8
185.09235	1.2
187.03903	2.2
187.07053	0.9
191.03342	1.6
191.06967	2.8
201.05461	1.7
202.02605	2.6
203.06952	3.3
203.10298	1.5
205.04846	1.0
209.08051	82.1
215.03441	2.0
217.04932	39.3
217.08226	1.5
219.06493	4.9
223.15370	5.5
227.06854	1.2
229.04980	5.9
233.04474	1.9
235.05984	1.8
238.17914	1.5
245.04379	5.0
245.07840	1.5
247.05948	6.5
249.07405	1.1
256.19199	1.2
275.05576	6.2
289.07037	2.9
293.06503	14.3
305.06546	9.8
317.06512	2.6
335.07547	13.1
353.08615	45.2
354.09085	1.2
358.16254	1.1
367.10059	1.6
385.11475	5.0
563.80347	1.6
564.30005	4.6
584.26489	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	562.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01838	1.3
55.02084	0.3
55.05483	1.2
55.83740	0.3
57.03410	1.0
58.06588	0.5
59.04969	0.5
67.05478	1.4
68.05005	0.4
69.03423	3.6
69.07072	1.6
69.66322	1.8
69.66736	0.7
70.06586	15.6
71.04980	2.6
72.08149	2.5
79.05462	1.4
81.03409	5.6
81.07024	1.3
82.06550	0.8
84.04480	0.9
84.08127	0.8
86.09704	2.5
87.04452	0.6
91.05457	1.5
93.07011	1.5
94.06544	2.3
95.04924	0.5
95.08582	0.9
96.08114	1.7
97.10146	0.5
99.04431	2.4
102.05527	0.5
105.06992	0.7
107.07327	1.5
107.08559	0.8
108.08097	2.9
110.07124	0.4
110.09630	0.7
117.05478	1.2
117.09092	0.4
118.06498	1.2
119.08565	0.7
120.08086	3.4
122.09658	1.9
123.10385	0.4
124.11212	0.5
129.10229	0.5
130.42508	0.3
134.09642	0.5
135.11618	0.4
136.07538	2.5
141.10223	1.2
145.07611	2.1
145.10071	0.5
147.09164	2.7
148.11177	0.4
159.09134	0.4
163.08650	0.5
163.11230	0.4
169.09801	1.5
169.13376	0.6
170.11815	0.4
171.11298	0.6
173.07094	5.5
175.08669	3.8
176.14339	0.6
191.08136	80.2
192.08426	0.7
192.17606	0.5
202.15916	0.9
217.13486	0.6
218.15390	0.8
220.16939	16.8
222.15063	0.4
222.18529	0.8
229.15456	3.2
231.11334	0.4
238.17998	17.1
239.18475	0.7
240.19568	2.9
241.20088	0.4
245.12823	0.7
248.36742	0.3
256.19046	7.0
256.69266	0.8
272.18555	0.4
289.11768	1.8
303.04819	0.6
307.12875	14.2
316.16498	1.1
325.13916	2.5
328.22562	0.4
372.23892	0.4
387.23718	0.5
415.22699	0.6
475.35571	0.4
495.35162	0.9
544.30212	4.0
553.35559	4.6
553.85846	1.8
562.31146	100.0
562.85901	1.1
563.31494	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	561.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
54.61656	0.5
55.01853	0.7
55.05502	6.7
56.05026	5.1
57.03414	0.5
57.07049	0.8
59.13909	0.5
59.18328	0.6
60.04520	5.0
60.05604	0.6
61.01129	1.3
65.03910	1.5
67.05509	3.3
68.05027	0.8
69.03073	0.9
69.03419	14.2
69.06713	0.9
69.07054	9.0
70.02939	1.6
70.06583	61.5
71.01337	0.7
71.04968	1.7
71.06894	1.8
71.75543	0.8
72.08147	22.1
73.02903	1.0
73.08479	1.4
74.06072	4.1
79.05489	4.9
81.03407	1.3
81.07043	6.2
82.06527	0.6
83.04968	1.6
83.06078	1.8
83.08604	2.9
84.04033	0.8
84.04492	12.8
84.08134	20.1
85.02898	5.7
85.04817	0.8
85.06510	1.9
85.08447	1.2
86.09692	49.0
87.05566	2.6
87.10021	3.9
88.03990	2.9
89.56216	0.6
91.05470	17.3
93.04509	0.8
93.07036	7.3
93.30267	0.6
95.04960	1.8
95.08589	6.6
96.08088	0.8
97.02876	1.8
97.06493	1.3
97.07606	0.6
98.06041	1.7
99.04441	0.7
100.22999	0.6
101.07119	3.2
102.05518	4.7
103.05444	1.7
104.05305	2.6
104.10699	1.8
105.07037	14.7
107.04914	0.8
107.07856	1.0
107.08583	18.0
109.02856	1.4
109.06510	3.5
109.10132	2.9
110.07156	10.4
110.09703	0.6
111.08054	1.8
112.07556	0.7
112.08723	1.5
113.10725	0.7
114.05478	1.0
115.05405	1.9
115.08676	1.6
116.06237	1.3
116.07074	2.5
117.07014	6.3
119.04939	3.8
119.08565	22.5
120.06612	0.8
120.08098	8.9
121.06454	1.1
121.10126	13.2
121.10989	0.6
123.08043	2.7
123.11692	1.9
124.07562	0.7
124.99952	1.0
125.09614	3.9
126.05478	0.8
127.03918	1.4
127.05059	0.9
127.08687	3.4
128.06171	0.7
129.06926	4.4
129.09334	1.0
129.10231	11.4
130.05002	3.4
130.06531	2.3
130.07758	1.7
130.08612	0.6
130.10561	1.0
131.08556	19.9
132.08044	2.4
133.06070	1.5
133.10117	15.2
135.04352	0.6
135.08041	12.8
135.11685	3.0
136.07585	5.8
136.08577	1.0
137.05943	1.1
137.09593	1.4
138.09108	0.8
139.08723	0.7
140.07108	0.7
141.06578	1.1
141.10199	2.7
143.08556	8.6
143.11781	2.1
144.06534	1.4
144.09332	4.0
145.04916	0.8
145.06155	0.8
145.10118	14.2
147.04384	9.8
147.07655	2.2
147.11667	9.3
148.04802	0.7
148.06030	2.5
149.09628	3.8
149.13246	10.3
150.10342	0.7
151.11302	0.6
153.09094	1.5
155.08096	3.0
155.11818	1.1
156.07683	1.8
157.06061	1.8
157.09898	1.0
158.10902	10.7
159.07762	1.5
159.09166	5.1
161.05963	0.8
161.09552	1.4
163.03827	0.8
163.11150	1.0
163.14828	2.0
167.08176	1.2
167.10640	0.7
169.09723	1.6
170.05980	2.1
171.07722	1.2
171.11398	1.1
171.14912	0.7
173.09288	1.6
173.13232	33.7
175.14821	15.2
176.11853	0.7
177.05467	1.1
181.06267	1.3
181.09882	1.2
183.11334	1.3
183.14940	1.5
184.07339	1.8
185.05644	1.1
185.09219	1.9
186.12413	1.0
187.08757	0.7
187.10820	1.3
187.14378	1.2
191.14281	100.0
192.14705	1.2
194.07256	1.3
195.07832	0.7
195.11302	0.7
197.12813	0.9
199.10759	1.1
200.13953	1.7
201.08752	0.8
201.12321	4.6
202.08286	1.4
202.12633	0.8
203.06476	1.1
203.10265	1.0
209.05962	2.4
209.09605	2.5
209.15343	12.1
209.17311	0.8
211.10698	0.9
213.12294	1.2
213.15845	0.7
215.13988	0.8
216.09782	2.5
219.08069	1.3
220.17010	1.0
226.11880	0.9
227.10294	0.9
228.13406	1.6
230.11421	1.6
237.09114	5.1
238.17960	1.6
247.10985	1.1
255.10178	0.7
262.00305	0.6
263.05362	0.8
265.08569	4.0
265.11002	0.6
274.14130	0.7
283.09473	0.7
284.12692	0.7
300.15451	1.0
314.17041	1.0
314.20441	0.7
315.16879	1.8
316.15057	0.8
329.18124	1.6
335.18555	0.8
343.16071	1.6
343.19855	0.7
351.64828	0.7
353.19510	4.9
360.19666	0.6
381.09720	2.8
392.55658	0.7
409.09250	4.7
427.10236	0.9
543.34021	0.8
561.19238	11.5
561.33099	7.6
562.20111	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	560.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38861	14.2
67.05485	76.9
69.07111	16.4
70.06594	19.6
79.05496	25.0
81.07050	70.5
91.05460	19.8
93.07027	41.2
95.08593	60.0
97.02827	16.7
98.21526	37.7
105.07037	41.1
107.08579	30.9
109.06516	15.1
109.10127	34.9
119.08553	22.2
121.10155	25.5
135.11691	17.4
165.97682	20.3
173.13261	21.1
184.07394	27.5
229.82843	19.0
243.20993	20.7
257.63989	16.0
259.63019	17.3
261.22079	100.0
335.25952	15.8
340.50119	15.0
347.92429	15.1
353.26849	43.5
561.26654	24.0
581.79834	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	560.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68690	8.3
50.82837	7.7
67.05483	26.4
70.75104	8.1
71.38933	17.3
79.05493	18.1
81.07054	37.2
81.43151	7.3
91.05457	11.0
93.07052	26.0
94.47472	6.7
95.08590	35.0
99.13439	8.2
104.27568	7.3
105.07005	11.8
107.08577	28.6
109.10128	23.8
119.08561	10.6
121.10122	28.5
122.02665	7.8
123.11670	10.3
131.08540	9.8
135.11630	14.9
145.10104	13.5
147.11693	9.5
149.13271	17.1
159.11638	11.5
161.13240	8.3
163.14738	11.5
173.13274	11.3
177.16214	9.1
216.41631	9.8
243.21069	27.4
252.16734	8.1
261.22141	100.0
262.22089	7.7
282.29700	7.4
335.25690	11.5
353.26898	55.4
560.37445	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	560.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05507	12.3
57.03447	2.1
57.07064	4.3
61.02908	3.4
62.72629	1.1
65.03943	2.0
67.05499	58.7
69.06749	1.5
69.07063	13.0
70.72090	5.4
71.08617	2.5
79.05047	2.7
79.05486	29.3
81.07047	64.8
83.08636	6.9
83.51807	1.4
85.02875	4.5
85.06512	1.6
85.10172	1.6
91.03934	1.8
91.05471	13.3
93.06459	2.6
93.07038	45.1
94.06491	1.4
95.04942	3.5
95.08596	59.8
97.02883	2.0
97.06530	2.7
97.10146	5.1
105.07033	12.5
106.09241	1.3
107.08588	30.1
109.09438	2.8
109.10144	31.5
110.38598	1.2
117.06995	4.1
119.08585	10.7
121.10133	29.3
123.11682	15.2
124.34625	1.2
131.08548	12.7
133.10109	12.9
135.11700	20.0
137.13242	4.0
145.10135	10.3
147.11734	8.2
149.13269	13.1
151.14790	3.7
159.11664	8.6
161.13223	4.5
163.14830	8.2
167.14316	2.2
173.13254	9.3
175.14832	5.5
177.16350	4.0
179.14381	1.7
187.14806	5.5
189.16321	3.9
191.18004	2.2
201.16414	3.6
207.17468	1.3
221.61719	1.4
233.19122	1.6
238.18111	1.6
258.00284	1.4
261.25797	4.1
271.24216	11.5
289.25241	100.0
290.25635	1.7
291.26819	2.1
321.12369	1.5
363.28879	20.8
381.29965	33.4
433.38354	1.6
560.44684	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	560.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85980	0.1
52.24125	0.1
53.03938	0.4
55.01857	0.5
55.05502	4.1
57.03423	0.3
57.07067	17.3
58.38969	0.1
65.03941	0.5
68.99799	0.2
69.03419	1.2
69.70432	0.2
70.06573	0.2
70.11768	0.8
71.04977	0.2
73.02904	0.3
73.06533	0.8
81.03399	1.3
85.02890	2.9
86.09663	0.2
87.00824	1.3
91.03972	0.3
91.05476	0.3
96.40478	0.1
97.02879	1.1
99.04440	0.5
105.01854	0.7
109.02852	1.2
119.08530	0.2
121.02853	1.8
121.03986	0.2
127.03887	1.3
129.01851	0.3
129.06958	0.3
131.08562	0.4
142.76967	0.2
143.04916	0.3
145.04958	0.5
149.02322	100.0
150.02649	0.5
157.06451	0.2
159.02924	0.6
161.05974	1.3
167.03404	1.4
167.04738	0.2
175.06003	0.2
175.07520	4.2
185.05952	0.2
190.04933	0.4
203.07007	5.7
205.08585	8.1
221.08076	1.3
223.09671	0.5
231.04918	0.2
275.28036	0.2
277.14319	37.8
278.14569	0.4
295.15387	3.5
295.18539	0.3
320.97034	0.2
470.20981	0.2
525.31793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54869	0.3
55.05280	0.3
55.05505	4.0
57.07066	16.9
65.03923	0.8
69.03410	0.9
69.07044	0.4
70.06582	1.5
73.06534	1.1
79.01042	0.3
81.03385	0.7
81.07036	0.5
81.18559	0.3
84.08099	0.6
85.02876	1.1
86.09670	1.0
93.07030	0.4
96.99733	0.3
97.02860	1.2
99.04476	0.3
120.08064	1.2
121.02845	1.9
127.03867	0.9
131.08524	0.4
145.04948	0.6
149.02313	100.0
150.02625	0.5
161.05954	0.9
167.03354	1.8
175.07529	4.0
188.85849	0.3
190.04900	0.8
203.06978	5.7
205.06635	0.4
205.08568	8.8
221.08006	1.9
223.09486	0.3
238.18008	1.0
239.18352	0.4
240.19527	0.5
265.91211	0.3
277.14294	38.3
278.14594	0.5
295.15390	3.6
357.43317	0.3
389.92340	0.3
478.37180	0.8
553.35590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73719	3.5
55.05500	16.3
56.77295	3.3
57.07064	9.9
57.13239	3.2
67.05500	38.3
69.07060	43.1
71.08626	4.7
71.72637	4.7
79.05477	24.8
81.07051	100.0
83.08625	15.4
91.05463	24.1
93.07024	52.1
95.08595	90.3
97.10161	7.1
105.07018	54.3
107.08583	66.1
109.06519	3.8
109.10144	57.2
111.11698	7.2
117.07050	8.3
119.08569	46.1
119.09374	5.5
121.10142	54.9
123.11681	30.2
127.78650	3.6
129.06996	3.8
131.08572	17.2
133.10115	31.2
135.11673	36.2
137.13261	10.3
142.07802	4.5
143.08583	7.9
145.10117	22.3
147.11653	30.5
149.13220	23.0
151.11143	3.8
155.08592	3.9
157.10150	9.7
159.11674	33.0
161.13248	26.0
163.14809	14.7
169.10117	4.7
171.11681	12.6
173.13242	26.2
175.14862	18.0
177.16351	9.7
183.11688	4.4
185.13301	9.3
187.14816	16.5
189.16402	10.0
191.17949	4.5
196.15479	4.1
199.14809	8.3
201.16371	10.7
203.17909	9.5
204.28156	3.7
205.19293	4.2
211.14687	5.8
213.16350	7.6
215.17966	15.8
217.19502	8.9
227.17981	5.4
229.19449	6.4
238.17987	6.7
239.18086	4.9
240.19424	5.0
243.21092	4.5
255.21121	5.9
257.22601	5.2
270.88239	3.7
271.24237	4.6
283.24210	5.4
313.76459	4.7
350.84296	3.8
471.38235	3.9
541.47412	12.9
547.89362	3.6
559.48810	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.5289
Annotation	N-(palmitoyl)-phytoceramide
Peak:m/z	Relative Intensity
53.42526	0.4
55.05505	3.8
57.03416	0.8
57.06795	0.7
57.07066	12.0
58.06580	1.6
67.05500	4.2
69.07068	4.4
70.06203	0.8
70.06583	11.6
71.08617	5.6
71.27429	0.6
71.27773	0.8
72.08134	1.3
73.02914	0.9
73.58399	0.4
78.82050	0.4
79.05476	1.3
81.07042	5.6
83.08604	3.3
84.08118	1.2
85.06545	0.6
85.10162	2.9
86.09692	2.3
87.04456	0.7
88.07618	5.2
89.06031	3.3
91.05470	1.0
93.07024	1.6
95.08591	4.6
97.06521	1.1
97.10146	2.2
102.09160	2.6
105.07014	0.4
107.08585	1.3
109.10151	1.9
110.52931	0.4
111.08045	0.5
114.09134	0.4
119.08553	0.6
121.10130	1.2
123.11735	1.0
125.09631	0.5
126.18002	0.4
132.10190	4.2
133.08578	1.8
133.10083	0.6
140.04077	0.4
146.11742	5.2
149.13254	1.6
163.14819	0.4
167.14227	0.6
177.11217	1.1
203.80051	0.4
212.23753	1.7
228.23309	0.7
238.17967	0.8
238.25327	0.9
240.26961	0.6
245.22685	0.7
256.26300	9.8
259.19006	5.4
263.23700	0.9
272.25763	2.0
283.26270	41.1
300.28918	22.5
311.29443	3.5
318.30032	1.6
337.27405	3.1
371.22546	1.4
422.10477	0.5
425.96078	0.5
521.42065	4.3
538.51898	0.8
556.52905	100.0
557.53625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43827	1.4
51.71051	1.7
58.99841	1.9
60.24470	1.9
61.30524	1.5
69.03425	3.7
70.06581	26.7
71.73684	2.1
71.74080	2.5
72.08142	3.5
72.54131	1.7
74.06061	1.8
77.00903	2.0
82.99842	3.1
84.04488	4.0
84.08141	4.1
85.02905	4.6
86.01411	1.5
86.09689	3.3
96.21178	1.6
97.02911	4.4
101.00867	11.3
103.02415	1.9
109.02865	2.8
110.07127	2.1
113.00880	2.8
113.21757	1.6
117.04018	2.6
119.01903	54.9
127.02383	4.4
127.03918	3.2
129.03966	2.1
129.10199	3.2
131.01894	21.5
133.03438	2.8
135.04257	2.0
135.05135	2.0
136.07619	2.2
137.02946	10.9
138.05502	2.9
141.03922	3.2
141.62164	1.6
142.03534	3.1
143.01878	26.4
144.82397	1.7
145.03464	54.4
147.01329	2.0
147.05119	2.8
149.02945	6.1
155.01855	18.1
157.03459	10.7
159.05000	22.0
161.02940	46.4
163.03954	17.3
167.01918	7.5
168.05029	2.0
169.03438	40.2
171.01418	4.5
171.05002	15.7
173.02936	42.4
175.04527	2.9
177.06096	2.4
181.03481	8.7
183.05040	2.5
185.02927	50.9
187.04489	96.5
189.02409	18.1
189.06058	5.4
191.04025	2.5
193.03439	2.0
196.04507	2.3
197.02907	20.6
197.06567	2.7
199.04498	19.8
201.06091	2.7
203.03966	24.4
207.03479	5.1
208.04675	2.1
209.02812	1.7
210.06099	2.7
210.58220	2.0
211.04448	14.9
213.02423	16.7
213.06068	4.3
215.00380	2.1
215.03966	13.0
217.01956	2.5
221.02934	13.3
221.05070	8.5
223.04567	5.8
225.02403	3.9
227.04013	10.1
229.05550	6.3
231.03456	33.8
239.04100	5.8
243.03583	5.5
245.05043	82.8
255.03342	2.2
257.01401	7.3
257.05099	7.2
261.08234	2.4
263.06195	10.5
271.06665	16.9
273.04739	4.7
273.08127	2.9
275.02435	62.3
275.06030	9.4
281.05124	1.9
282.61829	1.9
287.02444	19.9
289.07819	1.8
293.03522	21.7
293.07056	4.6
297.04581	3.8
299.05481	2.4
305.03516	18.9
305.07220	7.7
311.04596	2.0
315.05524	6.3
317.03445	3.3
319.02945	4.9
333.06607	3.9
335.04575	28.9
335.08252	5.1
341.03473	5.5
359.04462	26.0
365.09277	8.4
367.04865	2.0
377.05624	67.5
377.10507	3.6
395.06650	100.0
409.05997	2.1
410.49545	1.9
425.11053	2.3
441.12619	4.4
467.09137	1.8
521.71747	1.8
539.10687	14.3
557.11713	71.4
557.20221	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	556.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
57.07067	99.0
59.04993	32.0
60.99678	1.4
69.07045	3.2
70.06574	2.3
71.08622	100.0
73.06525	1.9
81.07050	2.3
83.08608	4.4
85.10170	95.1
87.04456	6.4
89.06019	80.2
89.45332	1.3
91.05480	3.2
93.07021	1.7
97.10168	2.1
99.11722	12.2
101.09657	2.0
103.07543	1.7
105.59153	1.3
107.07050	4.4
113.18208	1.2
114.63087	1.2
117.09111	6.1
123.08034	4.4
125.13221	1.2
130.08640	4.6
131.07045	2.3
133.08589	62.9
141.16365	12.8
146.08115	5.3
147.10182	2.6
157.78696	1.6
163.91699	1.2
175.09743	1.4
177.11200	32.4
177.12662	2.3
199.20554	31.6
221.13834	3.8
227.19894	1.5
238.17928	1.9
239.14896	3.4
240.19698	1.6
240.23189	2.5
256.26242	1.6
257.24689	18.5
283.17490	26.2
283.26193	2.1
323.20581	2.1
327.20108	2.5
341.21631	9.8
363.28897	14.5
371.22668	18.7
381.24850	2.2
435.51221	1.6
539.41608	6.3
556.43182	6.9
556.52924	6.0
557.30591	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	556.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89433	0.3
55.01895	0.5
55.05496	0.5
56.05028	0.8
60.04517	1.0
68.05017	0.4
69.07071	0.4
69.59241	1.8
69.59670	1.0
70.06583	100.0
71.06924	0.9
72.08143	2.8
74.06063	0.3
76.02221	0.4
84.04507	1.9
84.08134	4.3
85.02898	1.0
86.09694	4.6
88.03982	0.9
91.05470	6.7
93.03555	0.3
98.06037	1.9
98.20747	0.6
99.04415	0.5
101.07161	0.5
102.05546	1.1
103.05469	1.1
105.07021	0.9
107.04960	1.2
109.06503	0.5
110.07153	2.7
111.09219	0.3
112.08727	0.4
113.07125	0.3
115.08662	0.5
116.07089	1.0
119.04919	5.5
120.08074	1.7
121.06521	1.0
125.07043	0.4
126.05522	1.0
127.08665	7.8
129.07025	0.7
129.10217	3.0
130.05005	0.4
131.04929	2.6
133.06372	0.5
136.07562	51.2
137.05963	6.2
137.06979	0.3
137.07990	0.4
143.04604	0.4
147.04366	1.8
148.07495	0.5
151.11223	0.5
155.08133	15.2
157.06444	0.7
161.05948	1.6
163.03941	0.8
163.07545	1.2
164.04378	0.4
169.12242	0.6
175.07504	2.0
177.05624	0.4
179.07057	0.6
184.07394	0.7
187.07515	1.5
187.10913	0.5
189.09081	1.1
193.09720	7.5
205.08530	0.6
217.08665	0.4
221.09180	3.7
222.07611	0.9
233.12828	6.6
239.10207	4.2
251.10794	0.3
261.12335	6.7
273.12445	0.6
279.10153	0.5
284.15060	0.4
290.14914	0.8
291.10382	0.4
296.12399	1.3
311.12860	0.7
314.57834	0.4
318.14441	7.7
323.12711	0.6
341.13779	1.3
391.38840	0.3
393.17664	15.3
393.22858	0.8
394.17953	0.6
403.16226	0.7
453.21222	6.4
481.20703	4.7
556.23932	25.8
556.31232	1.5
556.74152	0.6
557.24292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05502	5.9
57.03426	6.9
57.07071	26.8
60.51118	0.5
66.13708	0.4
67.05499	8.4
69.03429	0.6
69.07059	7.1
70.75944	1.7
71.04987	0.5
71.08623	21.9
76.11804	0.5
79.05479	1.1
81.03407	7.8
81.07046	13.3
83.08608	8.7
85.02891	0.8
85.10175	10.3
93.07011	0.9
95.08592	17.9
97.10155	5.3
98.98453	74.9
99.04440	1.7
109.02862	6.9
109.10140	8.1
111.11710	0.8
116.99459	2.8
121.78176	0.6
123.10922	0.4
123.11671	2.9
123.44613	0.5
125.13216	0.6
127.03871	0.8
137.13258	1.0
140.01062	1.6
145.04935	0.7
151.14775	0.6
154.80533	0.5
155.01021	100.0
156.01340	0.8
163.05966	0.6
173.02142	1.3
196.03658	1.3
200.74063	0.5
209.45900	0.5
221.22630	0.6
225.01553	0.5
238.17961	0.9
239.23674	10.2
239.26071	0.7
243.02670	1.6
261.03714	2.1
299.05206	0.6
313.27328	74.5
314.27661	1.4
317.06244	9.0
383.27795	1.4
393.23950	10.9
401.28931	7.2
412.79575	0.5
486.37521	0.5
537.27972	3.6
555.29211	3.9
555.41254	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	555.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55907	0.5
53.03935	1.3
55.01862	1.0
55.05506	4.7
56.05024	1.0
57.03421	0.8
57.07049	0.7
58.06579	0.9
67.05493	4.5
68.05028	0.7
69.03426	3.1
69.07058	7.8
70.02938	0.5
70.06583	10.8
71.04980	1.0
71.06918	0.5
71.91338	0.4
72.08135	1.8
73.02918	0.6
74.06071	0.7
79.05482	5.5
80.05021	1.0
81.03409	2.6
81.07045	7.3
82.06567	1.4
82.07343	0.5
83.04978	0.8
83.08595	2.1
84.04502	1.3
84.08131	3.2
85.02884	3.8
85.06540	1.6
86.09695	6.7
87.00827	1.4
87.05582	0.4
89.06043	0.6
90.46651	0.4
91.05467	4.7
93.07034	5.9
94.06557	3.4
95.04958	1.4
95.08601	6.8
95.09183	0.7
96.08139	3.4
96.08735	0.5
97.02883	1.6
97.06536	0.8
97.10183	1.0
98.21499	1.4
99.04414	1.3
101.07120	0.5
102.00109	0.4
103.05478	0.4
104.05323	0.7
105.01878	0.8
105.07032	4.4
106.06574	0.8
107.07311	1.6
107.08573	3.6
108.08109	6.0
109.02877	1.7
109.06511	1.7
109.08907	1.2
109.10136	4.2
110.07170	0.6
110.09668	1.2
111.08078	0.5
111.11703	1.1
117.07011	1.7
118.06583	0.6
119.08584	3.7
120.08096	5.6
121.06459	0.5
121.10120	2.8
122.09661	3.3
123.08066	1.1
123.11729	1.2
125.06061	0.4
125.09631	0.9
127.03902	3.6
129.06940	0.4
129.10234	1.0
130.06517	0.5
131.08540	1.9
131.32018	0.5
132.08052	2.6
133.10120	2.7
134.09639	2.2
135.07974	0.9
135.11714	1.6
136.07564	1.4
136.11182	0.5
137.06003	0.5
137.09573	1.0
138.05504	0.6
138.09146	0.7
139.11165	1.0
143.08580	0.8
144.08075	0.9
145.09039	0.6
145.10133	1.9
146.09616	2.6
146.11734	0.6
147.04379	0.5
147.10437	0.7
147.11690	1.2
148.11214	0.7
149.09674	0.8
149.13254	1.2
151.11153	0.5
157.09888	0.9
159.09215	1.1
159.11665	1.2
160.11162	3.2
161.09685	0.8
161.13217	0.8
162.12758	0.7
163.11208	0.6
164.07054	0.6
167.08434	0.5
171.11664	0.6
172.11124	0.7
173.13214	0.9
174.12833	1.6
176.14290	2.3
181.10036	0.5
188.14348	1.0
190.15895	1.3
192.17484	0.9
202.15985	1.4
205.10129	0.5
211.14705	0.6
215.27545	0.5
218.15401	2.8
220.16939	16.1
220.19069	0.9
221.17316	0.8
222.18513	1.9
236.16446	4.1
238.17992	33.3
238.68228	0.9
239.18565	3.1
240.19557	4.9
248.16304	0.5
253.09892	0.6
256.19110	1.8
262.18140	0.5
264.19586	0.5
271.10812	0.9
272.23737	0.8
274.18082	1.6
288.19675	1.4
289.18103	1.1
289.25293	1.0
300.23166	5.2
302.24786	0.7
307.18976	0.5
307.26334	1.2
316.22540	0.5
318.24252	19.7
320.25726	4.4
336.25494	0.8
475.35168	3.3
477.36807	0.7
527.22906	0.5
537.21118	0.6
555.41534	100.0
556.41711	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	554.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05504	2.4
55.38272	0.2
56.05016	0.9
58.06599	0.4
67.05492	1.8
68.04994	0.3
68.37969	0.2
69.03409	0.8
69.07062	3.2
69.85258	0.3
70.06581	100.0
70.29698	1.1
71.04982	0.8
71.06895	0.5
72.08144	14.2
74.06094	0.4
79.05474	1.0
81.03404	0.6
81.07042	3.2
83.04974	0.4
83.06076	0.3
83.08611	0.8
84.04491	1.1
84.08127	2.7
85.02892	1.9
85.06524	0.8
86.09692	45.0
87.00835	0.4
87.10036	0.5
91.05487	0.8
93.07034	1.5
94.06526	0.4
95.04956	1.0
95.08590	2.6
96.08930	0.6
97.02876	0.7
97.06527	0.4
97.10107	0.3
98.06039	4.8
99.08064	0.4
100.11233	0.7
102.05532	0.4
103.05468	0.4
104.05316	0.5
105.01845	0.3
105.07024	1.6
107.08593	1.6
108.08080	0.5
109.02852	0.8
109.10126	1.2
110.07153	1.1
110.09616	0.3
110.10467	0.3
111.08052	0.4
114.09149	0.7
116.07081	0.3
119.08570	1.0
120.07222	0.4
120.08088	8.2
120.08908	0.6
121.06453	0.4
121.08438	1.0
121.10142	0.9
122.09676	0.5
122.10442	0.3
123.08036	0.3
123.11720	1.1
126.05494	2.2
127.03897	1.3
127.08639	0.3
129.09358	0.4
129.10225	2.0
131.08534	0.3
132.08057	0.6
132.10167	0.5
133.10132	0.8
135.08014	0.5
135.11688	0.6
136.07539	1.0
137.05965	0.5
137.09572	0.5
137.13158	0.3
139.11200	0.5
140.14394	0.4
141.13840	0.4
145.10161	0.5
147.11624	0.3
154.08560	0.3
155.08255	0.3
159.09111	1.3
159.11682	0.3
160.09630	0.3
161.09546	0.4
163.11134	0.5
165.13852	0.4
166.08604	0.4
169.13344	13.8
173.13219	0.4
183.14905	20.9
185.16434	0.5
197.12831	19.4
199.18010	3.9
199.19699	0.3
202.16074	0.3
210.19231	0.3
211.14388	15.8
213.15979	0.5
218.15443	0.3
220.16953	1.0
222.18509	0.9
227.17480	4.0
229.15475	0.4
233.16481	1.1
235.20509	0.6
236.16254	0.3
237.19540	0.4
238.17972	3.9
239.18767	1.7
239.68962	0.5
240.19547	2.7
241.15691	0.4
241.19875	0.6
245.18596	3.1
250.94884	0.3
252.19833	0.4
253.21677	0.6
256.19067	0.5
269.21005	0.5
270.21503	0.3
274.12054	0.3
282.21741	0.4
292.20090	0.8
296.23401	0.3
310.21219	15.0
321.24307	0.4
324.22778	6.5
328.22452	0.6
342.23920	0.7
358.26965	0.6
395.30121	6.9
421.87698	0.3
423.29620	14.0
424.30099	0.4
437.31305	0.8
441.30487	0.4
455.32193	6.8
466.04764	0.3
470.21628	0.3
475.35181	0.5
491.38086	0.4
496.35031	0.3
536.37915	0.9
553.84601	0.4
554.39069	26.8
555.39734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23447	0.5
60.04492	0.7
69.03409	1.3
69.54713	0.5
70.06577	11.0
70.91378	1.5
71.06915	1.0
72.08127	2.7
74.06070	1.0
82.06547	0.6
84.04511	0.8
84.08109	2.4
85.02898	2.5
86.09673	2.2
87.04446	1.0
91.05457	0.8
97.02855	1.0
98.06017	1.3
104.07027	0.8
110.07161	0.6
116.07097	0.7
119.01911	1.2
123.92156	0.5
126.05547	0.7
127.03886	1.3
127.08633	0.5
129.10190	0.7
133.06058	0.7
136.07527	1.8
138.05461	2.2
141.75977	0.5
143.01892	0.9
145.03467	0.8
145.04852	1.0
161.02959	0.9
169.09738	0.7
171.11189	0.8
173.02972	0.7
173.13048	0.5
177.08337	0.5
185.02837	1.2
186.06096	0.9
203.03847	0.7
204.07217	0.6
208.54446	0.6
210.94029	5.5
210.97064	1.2
211.94376	1.6
212.07455	1.3
212.85287	2.8
212.93768	1.3
220.01404	0.7
222.24792	0.5
245.04951	2.5
246.05197	0.8
247.61607	0.6
263.05984	0.7
290.12827	0.7
301.04068	0.6
355.19650	1.5
356.20093	2.4
379.13763	0.8
381.07681	0.7
407.13443	0.6
425.14175	1.7
446.37070	0.7
554.18372	100.0
555.10907	3.9
555.18811	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	553.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.0
55.01854	8.7
55.05506	31.7
56.05034	5.2
57.03422	4.4
57.07066	6.3
58.05112	2.3
58.06598	3.3
61.02900	3.3
65.03931	3.9
66.64223	2.1
67.05499	63.7
69.03419	21.5
69.07059	34.1
70.06200	4.9
70.06583	70.4
71.04987	16.3
71.06894	5.5
71.08614	2.2
71.65779	4.8
72.08147	17.3
73.02891	3.3
79.05486	28.1
81.03393	12.7
81.07043	83.8
82.06543	5.4
83.04960	7.6
83.08613	19.8
84.04485	9.8
84.08139	18.1
85.02892	23.8
85.06541	12.3
86.09697	33.3
87.00809	11.7
87.09979	2.7
91.05467	26.5
93.07039	45.9
94.06586	5.4
95.04952	9.3
95.08598	100.0
96.08123	8.6
97.02888	14.1
97.06525	9.6
97.10169	12.0
99.04438	5.9
99.08095	3.4
100.11211	3.7
102.05559	2.9
103.05457	3.4
105.01846	6.1
105.07008	20.2
107.04951	5.6
107.07365	3.7
107.08572	36.9
108.08106	10.4
109.02859	11.8
109.06521	7.9
109.10138	59.3
110.07165	12.0
110.09638	4.4
111.04399	3.6
111.08080	5.2
111.11714	5.6
117.07004	4.3
119.04865	4.6
119.08543	16.3
120.08086	24.3
121.06499	3.7
121.10127	44.4
122.06069	3.0
122.09653	6.6
123.08070	8.5
123.11688	23.4
124.11165	3.6
125.05974	3.0
125.09603	6.0
125.13252	2.3
126.09167	3.6
127.03899	24.4
128.41196	2.4
129.10243	9.9
130.04959	2.9
131.04950	3.5
131.08545	16.1
132.08063	2.6
133.06546	2.5
133.10097	21.4
135.08055	6.8
135.11674	38.4
136.07562	8.7
137.05981	10.6
137.09590	9.1
137.13231	6.6
137.96796	2.6
137.97844	2.6
139.11128	4.8
145.04967	5.1
145.10132	12.8
147.04388	6.2
147.11638	8.5
149.09587	8.8
149.13219	14.2
151.11171	6.2
159.02864	4.2
159.11664	9.1
161.13283	4.9
163.07539	4.9
163.11157	6.5
163.14798	3.1
165.16449	2.9
166.08662	3.3
167.10675	3.4
170.06064	2.3
171.11588	3.6
173.09660	2.8
173.13168	8.0
177.05548	3.2
177.12677	2.7
177.65709	2.7
181.12135	3.4
182.15361	2.9
183.14964	3.3
187.14769	3.1
189.09012	3.0
189.16403	7.4
191.14310	6.1
191.17923	54.7
195.13687	3.5
204.13953	2.9
209.18985	42.5
211.14542	2.7
215.17917	30.4
218.15370	3.7
220.16930	27.8
221.17250	3.1
222.14883	4.7
222.18523	10.6
223.18956	3.7
225.22189	6.8
230.16579	2.7
233.19014	22.1
238.17998	92.5
238.68135	10.3
239.18719	22.7
239.68971	7.4
240.19551	29.3
241.19882	5.5
247.18599	2.8
247.68594	2.8
251.20041	46.4
256.19107	3.8
269.21082	80.2
270.21390	2.9
272.18362	4.0
287.22189	85.3
303.04919	7.6
305.23099	12.3
315.12613	2.6
316.18030	3.2
320.71616	4.8
325.18848	25.7
339.13306	3.6
340.13510	6.1
342.24261	3.3
376.64761	3.1
376.76312	2.8
446.59274	2.6
477.36551	4.8
494.84088	3.9
495.34891	6.5
521.21112	15.9
552.85486	13.8
553.26526	8.1
553.35846	28.6
553.45813	4.7
553.85645	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	552.4021
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
52.09103	0.8
52.84571	0.9
55.64906	0.8
56.05015	1.0
57.07071	2.2
58.06593	2.0
60.08156	18.6
67.05475	1.2
69.07037	1.6
71.07371	6.0
71.08617	2.3
81.07042	2.5
82.14685	0.8
83.08595	0.7
85.10180	1.1
86.09692	45.2
93.07013	1.0
95.08594	2.5
98.98457	3.1
104.10729	100.0
109.10133	1.0
124.99987	25.7
154.45003	0.8
157.56242	0.7
157.58531	0.8
184.07317	93.9
337.05899	0.8
369.33694	2.1
374.25699	1.1
374.75970	3.1
534.39136	6.8
552.40210	52.9
553.99847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21867	1.4
51.78450	1.7
53.03936	3.5
55.01852	3.8
55.05499	11.4
56.05003	2.0
57.03413	1.9
57.07037	3.0
58.06581	2.9
67.05178	2.8
67.05495	26.7
69.03407	8.5
69.07063	12.9
70.06216	2.6
70.06584	49.0
71.04995	8.5
71.06937	2.3
71.59529	2.3
72.08139	8.2
73.02910	3.2
79.05461	13.9
79.90507	1.7
81.03397	6.0
81.07045	40.1
83.04934	2.3
83.08598	6.6
84.04475	5.0
84.08120	7.2
85.02896	15.6
85.06515	3.9
86.09229	2.2
86.09692	26.2
87.00802	6.7
88.98083	1.5
89.06008	5.8
91.03958	1.7
91.05463	14.2
93.07029	21.4
94.07343	2.6
95.04945	3.6
95.08595	37.3
96.08107	4.5
97.02876	5.5
97.06521	3.7
97.10136	4.9
99.04459	2.4
99.08069	2.2
102.05487	1.8
104.05276	3.0
105.01819	2.9
105.03359	2.0
105.06979	10.0
107.07310	1.8
107.08558	15.9
108.08105	4.2
109.02825	6.5
109.06477	3.5
109.10139	25.0
110.07104	3.7
111.08048	2.5
117.06977	5.1
119.08565	12.8
120.08101	13.5
121.06476	4.1
121.10106	12.2
122.09660	2.2
123.08030	6.3
123.11690	12.2
126.09080	8.7
127.03897	9.2
129.10216	4.5
131.08533	10.1
133.10089	13.2
135.08014	6.9
135.11667	10.8
136.07530	5.5
137.05946	1.7
137.09612	8.0
137.13232	6.0
145.04944	4.2
145.10091	5.8
147.11644	6.7
147.73622	1.8
149.09621	4.1
149.13257	4.0
151.11151	5.6
153.09050	4.3
155.14290	4.8
159.09142	2.7
159.11658	6.8
163.11076	1.8
167.10680	1.9
171.11688	1.9
173.13181	3.8
175.14792	2.4
178.72662	2.1
179.26631	1.8
181.12169	2.2
191.14116	1.8
191.17870	5.1
205.15895	1.7
211.14455	2.3
215.17918	21.8
220.16907	7.7
221.17245	3.6
222.18492	7.3
224.49188	1.6
229.15463	7.0
233.18997	15.8
233.24620	1.8
236.10947	1.6
236.16365	2.2
238.17958	14.3
238.68118	3.3
239.18640	13.3
239.68948	7.3
240.19521	25.8
241.19812	4.2
251.20074	20.2
257.07928	2.0
266.12582	2.0
269.21066	100.0
272.18466	1.6
287.22113	37.7
303.04910	6.2
337.23706	8.7
355.24579	1.9
408.71744	2.1
475.35336	2.4
477.36798	3.3
530.29907	1.9
552.35706	6.2
552.85632	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	550.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01853	1.0
56.05030	0.9
57.03421	0.9
60.04485	0.6
61.02900	1.6
69.03416	4.5
70.06580	8.3
71.04955	0.5
71.74571	0.6
71.74940	0.6
72.08138	3.4
73.02898	0.9
74.06055	0.8
79.05482	0.8
81.03381	1.3
84.04490	1.7
84.08138	3.8
85.02895	14.5
86.09686	3.4
87.04449	0.6
87.05566	0.6
89.03902	1.7
89.06019	0.6
91.05483	0.8
95.01311	1.7
97.02873	4.0
99.04430	0.7
100.69385	0.5
101.02390	0.7
103.05433	0.6
107.04938	1.1
109.02847	1.5
110.07137	1.1
111.04411	0.7
116.07092	0.6
117.03357	2.3
119.04940	0.5
120.08117	1.2
123.04397	1.1
127.03879	2.2
129.10231	2.3
131.04935	0.9
135.04390	9.2
136.05133	0.6
136.07600	1.0
137.02364	0.5
138.03093	1.6
139.03926	2.5
141.01874	1.1
145.02821	7.4
145.04938	2.7
146.11710	1.1
147.04367	4.0
149.02333	2.0
151.03935	0.6
151.09593	0.9
153.05441	98.3
159.04388	0.8
159.09055	0.6
161.06000	0.8
163.03879	100.0
171.07646	0.6
175.03896	2.9
177.01785	5.0
177.03899	2.0
177.05472	3.1
181.04912	4.8
187.03857	2.6
189.05466	2.5
191.03337	1.6
193.04916	0.7
195.06505	57.5
196.06534	0.6
199.07054	0.6
203.03365	52.1
205.04927	5.7
209.13777	0.8
213.05469	1.1
215.03360	7.5
217.04868	1.0
219.02875	0.7
221.04367	1.5
229.04958	2.3
231.02846	7.4
231.06422	1.0
233.04402	6.9
235.06042	0.9
243.03159	0.5
257.04440	1.1
259.05948	0.8
261.03928	7.0
275.05405	3.3
279.04947	12.4
279.07736	1.0
288.90085	0.6
291.01852	1.0
291.04965	14.4
301.07724	0.5
303.05063	3.0
321.06012	11.1
339.07065	80.0
340.07474	0.8
357.08136	2.1
371.09662	10.9
380.09744	1.5
519.47699	0.5
550.27844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
53.60624	3.3
55.05496	13.2
56.54967	3.4
57.07058	8.9
59.13740	3.1
67.05494	24.9
69.07053	19.7
71.08614	6.4
71.75505	3.6
79.05486	18.7
81.07050	43.6
83.08612	10.1
85.06564	3.8
91.05471	29.9
93.07025	57.8
93.26457	3.7
95.04922	6.9
95.08588	44.6
101.01414	3.4
105.07013	55.6
107.08576	51.3
109.10144	43.3
115.05485	3.6
117.07005	10.8
119.08560	100.0
121.10110	51.0
123.08054	3.6
123.11691	17.3
128.06207	4.6
129.06970	9.6
130.07756	7.8
131.08549	24.4
133.10114	49.1
135.11679	38.3
141.06943	4.3
142.07741	13.5
143.08540	16.6
144.09245	4.3
145.10095	61.1
147.11710	17.8
149.09596	6.1
149.13210	4.9
155.08528	9.8
155.15073	3.3
156.09357	10.7
157.10101	36.1
158.10851	4.4
159.11691	38.9
161.13252	10.0
168.09300	4.7
169.10098	16.0
170.10933	4.4
171.11661	24.9
173.13251	22.9
175.14796	39.5
181.10091	8.5
182.10907	6.0
183.11676	16.0
185.13174	16.5
187.14842	7.9
195.11667	11.3
196.12296	4.8
197.13235	25.6
199.14815	7.2
201.16389	15.6
207.11655	4.3
208.12456	4.1
209.13225	15.6
211.14798	12.6
213.16327	6.7
219.17403	7.0
221.13245	5.8
223.14772	8.8
225.16330	8.4
235.14752	6.6
239.18010	5.0
241.19536	6.6
261.16415	4.2
267.21179	5.5
551.42279	42.2
551.50214	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	549.1227
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
53.03918	0.2
55.05487	0.2
67.05478	0.3
69.03391	0.2
69.07019	0.2
70.06577	1.8
70.11966	0.4
71.04950	0.1
72.08106	0.5
74.59136	0.1
79.05453	0.2
81.03377	0.2
81.06996	0.4
84.04456	0.3
84.08117	0.5
85.02847	0.5
86.09699	1.3
91.05434	0.3
93.06984	0.4
95.04906	0.2
95.08540	0.3
96.08064	0.2
97.06478	0.2
105.06949	0.3
107.08564	0.3
107.90178	0.1
108.08096	0.2
109.02831	0.2
109.06465	0.1
109.10066	0.3
110.07108	0.2
115.08697	0.1
120.08042	0.5
121.10115	0.1
122.09615	0.2
127.03833	0.2
129.10138	0.1
130.04958	0.1
132.10228	0.1
133.10054	0.2
136.07532	0.2
137.05936	0.3
147.11627	0.1
149.05907	0.3
151.03889	0.1
153.01794	0.5
157.89729	0.1
167.06989	0.2
175.07495	0.2
187.07477	0.2
197.12665	0.1
218.15494	0.1
220.16956	0.6
222.18427	0.3
229.04919	0.2
238.17961	2.2
238.68173	0.3
239.18660	1.1
239.68959	0.2
240.19525	0.8
258.05200	10.1
259.05624	0.1
286.04663	32.6
287.05054	0.5
301.07001	100.0
302.07303	1.5
393.14502	0.1
445.20172	0.1
463.12259	2.3
475.34912	0.2
505.13675	0.3
517.18109	0.1
531.11597	0.3
549.12329	5.9
549.25458	0.5
549.32892	0.1
549.59351	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	548.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.2
57.03412	2.8
57.07054	2.7
60.08154	2.9
62.06076	15.2
67.05498	10.6
67.90810	1.7
69.07053	8.5
69.40508	12.7
69.40935	6.0
71.04967	2.2
71.08609	5.7
79.05486	5.1
81.07051	17.3
83.08609	8.0
86.09691	7.7
91.05482	4.9
91.96523	1.7
93.07034	12.2
93.52625	1.9
95.08586	14.4
97.06505	3.2
97.10116	2.0
98.98452	34.7
99.08057	2.6
104.10732	17.9
105.07018	6.4
107.08578	16.7
109.06500	7.2
109.10136	6.7
111.08112	1.9
119.08556	5.4
121.10155	12.1
123.08059	18.4
123.11697	3.4
124.90060	1.7
124.99981	5.1
128.00211	2.0
133.10100	5.1
135.11652	5.2
137.13223	2.0
145.10100	2.3
147.11674	3.4
149.13217	3.3
159.11731	2.0
163.14793	2.5
173.02090	8.6
175.14784	2.1
177.12837	2.3
177.16354	3.9
179.14276	23.7
184.07307	18.0
189.90695	1.9
200.98653	1.8
216.06218	4.1
277.21585	7.5
277.24982	3.2
333.27850	57.7
351.28952	8.8
376.32068	7.1
389.30353	6.7
407.31525	100.0
487.28162	71.9
505.29221	74.2
530.32025	8.8
532.17963	2.1
548.33704	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	548.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.7
57.03426	10.4
57.07077	3.2
61.02916	5.9
67.05493	34.3
69.07057	18.6
70.06575	7.3
70.20475	9.1
70.20895	8.8
79.05479	35.3
81.03419	4.3
81.07050	40.9
83.04951	4.7
83.08630	7.8
85.02892	4.5
85.06532	4.5
91.05479	32.4
93.07034	55.3
93.07569	5.8
95.04981	5.6
95.08598	41.1
97.10162	6.2
105.07033	32.4
107.08581	35.2
109.06408	3.9
109.10138	14.9
113.09694	3.4
117.06971	8.4
119.08575	33.5
121.10120	27.5
123.08132	3.8
123.11716	4.2
129.06970	6.6
131.08517	19.7
133.10120	30.6
135.11705	24.3
143.08557	7.8
145.10062	16.6
147.11668	23.8
149.13228	6.6
157.10165	7.9
159.11700	20.4
161.13268	12.9
163.14738	4.0
171.11632	8.0
173.13281	7.2
175.14876	5.5
177.12828	5.3
185.13278	8.9
187.14812	13.8
199.15074	3.3
201.16299	4.6
205.15846	6.2
219.17369	4.4
222.80402	3.4
226.56664	3.6
229.14244	5.7
238.18109	3.8
241.19547	12.2
242.17702	3.2
259.20523	40.7
269.17569	5.4
277.00830	3.2
277.21594	37.3
333.24063	4.3
351.25269	100.0
369.26047	3.6
420.48053	3.3
427.25238	4.0
544.41260	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	548.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01839	0.3
55.05502	4.5
57.03428	4.1
57.07073	1.9
59.04985	0.4
62.06067	0.6
65.03920	0.4
67.05489	4.8
69.07056	7.0
69.81596	2.0
71.04976	1.0
71.08626	2.6
73.06538	0.5
75.04453	0.3
79.05482	2.7
81.06576	0.5
81.07042	8.7
83.04961	0.6
83.08604	4.1
85.06508	1.2
85.10162	0.3
86.09685	0.7
91.05470	1.8
93.07025	5.6
95.04948	0.9
95.08592	9.8
97.06528	1.9
97.10139	1.3
98.54749	0.2
98.98453	2.6
99.08079	1.6
105.07010	2.3
107.08575	10.1
109.06508	4.1
109.10134	4.4
111.08075	1.7
113.53076	0.2
117.06984	0.3
119.08556	3.4
121.06522	0.3
121.10129	6.7
123.08044	12.5
123.11663	1.8
124.01585	0.4
125.00008	0.6
125.09603	0.7
131.08540	0.8
133.10104	2.4
133.70689	0.2
135.08069	0.7
135.11690	2.4
137.09605	1.3
137.13216	0.8
141.35664	0.2
145.10097	1.4
147.11655	1.1
148.30424	0.2
149.09586	0.6
149.13234	2.4
151.11192	0.4
151.14778	0.6
153.12697	0.2
154.56184	0.2
157.10072	0.3
159.11699	1.3
159.14244	0.3
161.04578	0.2
161.13263	0.8
163.14801	1.7
165.12709	0.8
165.16313	0.3
167.14291	2.3
171.11734	0.3
173.02071	0.5
173.13245	0.5
175.14777	0.7
177.12657	0.4
177.16364	3.3
179.14284	16.3
180.14592	0.4
181.15852	0.4
184.07295	2.6
185.13268	0.3
189.16350	0.6
191.17810	0.3
193.15836	0.8
198.05246	0.6
201.16370	0.3
205.15782	0.5
212.05005	0.3
216.06274	1.2
231.15897	0.5
249.22142	0.4
263.20044	0.8
277.21542	4.0
291.23288	0.8
293.21146	0.4
305.28259	0.8
315.26782	0.8
319.22589	0.4
331.26022	0.3
333.27832	15.2
334.28210	0.5
348.26578	0.3
349.27374	0.9
351.28860	6.8
353.29114	0.3
371.29425	0.7
376.32059	1.5
389.30444	2.6
407.31500	100.0
408.31894	3.2
487.27890	1.2
505.29144	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	546.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.4
57.03418	3.4
57.07056	1.6
58.44240	1.3
60.08141	4.1
61.02910	5.3
66.32444	1.4
67.05174	2.4
67.05496	28.0
67.67403	1.4
69.07066	8.0
70.06555	1.9
71.07336	2.4
71.08606	1.7
72.66872	1.4
73.02925	2.3
79.05486	17.0
81.06578	2.8
81.07043	35.4
83.08584	4.0
85.02883	5.5
85.06528	2.1
86.08491	1.5
86.09695	13.5
91.03953	4.9
91.05486	9.8
93.07029	25.2
95.08600	29.2
97.02869	4.0
97.10133	2.2
104.10736	29.8
105.07011	7.7
107.08575	18.7
109.10148	19.2
112.68807	1.4
113.09647	2.6
117.06984	4.9
119.08543	10.0
121.10121	17.3
123.11694	12.7
124.99961	6.6
131.08569	11.2
133.10114	6.8
135.11676	15.6
137.09674	1.4
137.13226	6.3
145.10097	8.3
147.11662	6.2
149.13252	13.0
159.11710	9.0
161.13234	7.6
163.14796	14.7
165.12749	2.4
173.13213	8.0
175.14757	2.6
177.16356	2.9
179.14297	3.1
184.05788	2.1
184.07338	27.3
187.14795	5.4
201.16310	2.9
205.15881	1.8
233.22533	1.9
243.21045	27.9
261.22107	100.0
262.22626	1.8
263.23648	1.9
290.67804	1.7
335.25757	13.2
353.26816	44.7
374.90610	2.3
375.24194	3.8
528.34399	2.5
539.95087	1.8
546.35742	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	546.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05090	1.1
55.01836	1.5
55.05491	3.9
57.07061	2.3
60.04518	49.7
65.54680	0.9
67.05502	6.5
69.07046	3.7
70.02926	1.2
71.08606	2.8
71.69025	1.3
79.05473	5.6
80.04980	2.9
81.03397	2.8
81.07048	10.9
82.06571	6.7
83.08596	3.4
85.06529	1.1
91.05453	5.7
93.07020	5.5
94.06564	8.0
95.04943	6.1
95.08595	1.6
96.08109	1.4
97.10140	1.5
108.08096	9.7
108.41196	1.2
109.06503	6.6
110.05997	2.3
110.09658	1.3
111.08060	4.1
112.07597	2.6
113.05959	1.9
119.04895	1.6
121.10087	0.9
124.07571	3.8
125.05935	1.1
126.09149	2.8
129.05415	1.1
136.07565	12.1
137.05966	15.8
142.08618	7.7
154.08603	32.6
155.07030	5.6
172.09680	12.7
190.10753	8.0
238.18033	1.2
242.62833	1.1
245.13524	1.2
350.34207	2.6
398.36200	1.2
492.40463	3.2
510.41449	17.9
528.42560	100.0
529.42859	2.7
546.43024	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	546.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09660	5.0
54.08484	5.2
55.05492	11.8
55.63528	5.0
60.08123	4.9
61.02883	7.2
67.05496	39.8
69.07040	12.1
70.06588	8.9
70.18329	28.4
70.38528	5.2
79.05482	19.7
81.07045	55.8
84.54116	5.7
85.02850	11.0
86.09702	10.9
91.03949	5.5
91.05478	12.4
93.07039	34.3
95.08589	44.1
98.20882	7.6
105.07020	9.9
107.08581	23.5
109.10133	21.7
119.08539	10.0
121.10133	27.2
123.11674	17.7
125.00012	10.0
125.71619	4.9
131.08546	17.3
133.10170	9.5
135.11667	21.0
137.13260	7.0
145.10127	8.7
147.11586	9.0
149.13237	14.5
159.11708	9.3
163.14833	8.5
173.13269	15.3
177.12782	6.0
184.07277	38.8
240.19756	5.8
240.48410	5.0
243.21107	32.0
261.22092	100.0
274.29828	5.6
279.23199	12.0
335.25781	26.5
353.26898	49.8
374.56769	8.9
375.24075	9.6
445.66833	5.8
475.22769	5.3
546.36469	10.0
552.79413	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	545.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.7
55.01841	0.7
55.05506	3.8
56.04997	0.8
57.03411	0.3
57.07035	0.3
58.06553	1.0
60.04484	0.5
61.01125	0.3
65.03907	0.4
67.05492	3.9
68.04993	0.7
69.03418	1.7
69.07057	5.0
70.06580	11.7
70.66310	1.1
71.04958	0.9
72.08144	3.2
74.06033	0.6
76.02186	0.6
78.97323	0.3
79.05485	4.9
79.28625	0.3
80.04974	1.3
81.03368	1.1
81.07042	5.6
82.06564	1.8
83.04910	0.9
83.08571	1.0
84.04470	2.0
84.07699	0.3
84.08125	3.9
85.02904	2.1
85.06492	1.1
85.28469	0.3
86.09693	5.9
87.00796	0.7
87.09996	0.4
91.04983	0.3
91.05478	3.5
93.05766	0.5
93.07030	4.8
94.06011	0.4
94.06547	4.5
95.04917	1.2
95.07332	0.4
95.08580	3.1
96.07550	0.4
96.08113	5.5
96.08695	0.6
97.02867	0.6
97.06490	0.7
97.10113	1.0
98.09669	0.5
99.04417	0.7
99.05570	0.3
99.08011	0.6
102.05507	0.6
103.05425	0.5
105.01851	0.4
105.07009	3.1
106.06526	0.9
107.04888	1.0
107.07333	4.4
107.08552	3.1
108.07430	0.5
108.08099	8.1
109.02822	0.7
109.06452	0.9
109.08850	0.9
109.10133	1.5
110.07156	2.2
110.09676	2.0
110.70109	0.3
111.04419	0.4
111.08044	0.6
116.07024	0.4
117.06984	1.0
118.06496	0.8
119.04912	0.3
119.08548	2.0
120.07241	0.5
120.08080	9.0
121.08901	3.1
121.10161	1.6
122.05963	0.5
122.09648	8.4
123.04369	0.5
123.05514	0.4
123.10426	0.8
123.11659	1.2
124.07555	0.7
124.11178	1.1
127.03873	1.3
128.06184	0.5
129.06967	0.6
129.10231	1.5
130.06517	0.7
131.07396	0.3
131.08527	1.5
132.08081	2.5
133.08905	0.3
133.10060	1.4
134.05968	1.1
134.09613	1.9
135.08035	0.5
135.11639	1.0
136.07509	1.6
136.11151	0.6
137.05960	0.5
137.09561	0.5
138.05536	0.4
138.09099	0.7
143.08498	0.8
144.08046	1.0
145.04993	0.3
145.09006	0.4
145.10098	1.7
146.05934	0.8
146.09653	1.8
147.04384	0.6
147.06706	0.8
147.10306	0.4
147.11589	0.6
148.06059	0.5
148.07515	2.0
148.11122	0.9
149.09599	0.5
150.09138	0.6
152.07033	0.5
155.08308	0.5
157.06471	0.3
157.09993	0.5
158.09515	0.5
159.09109	1.1
159.10298	0.4
159.11586	0.5
160.07538	1.7
160.11139	0.5
161.08266	0.4
161.09570	0.4
161.13213	0.6
162.09151	1.7
162.12784	0.5
163.11127	0.6
164.07025	1.3
165.07761	1.1
166.08554	0.6
170.11752	1.0
172.11226	0.3
173.09499	0.5
173.13158	0.3
174.09203	0.4
174.12747	0.6
175.11009	0.4
176.14316	0.4
177.05574	0.4
177.08990	0.3
178.08568	1.0
179.09358	0.8
180.10120	0.7
185.13145	0.8
186.12784	0.4
188.14207	0.3
190.15800	0.9
192.10149	1.3
192.17450	1.3
200.14125	0.6
201.12411	0.5
202.15889	2.7
204.13799	0.9
206.11685	0.4
212.10704	0.3
212.14349	0.6
218.15372	4.3
220.16928	23.5
221.17282	0.6
222.14813	0.9
222.18527	2.5
223.18790	0.7
228.13634	0.4
230.15373	2.4
230.17439	0.3
232.16940	0.9
234.14940	0.5
236.16422	4.9
238.17978	39.6
238.68190	0.9
239.18565	2.7
239.68903	1.1
240.13747	0.4
240.19562	5.2
241.19896	1.3
242.15486	0.4
242.20143	0.4
246.17862	0.5
247.18469	0.5
248.16385	2.6
250.17943	3.2
252.19641	0.6
254.17461	0.6
256.19037	4.7
257.19400	0.4
258.14893	4.1
260.16446	1.1
262.17935	2.7
272.18774	0.3
273.18881	0.6
276.15881	2.6
278.17493	0.5
279.23215	0.8
287.05432	1.9
288.05771	0.5
289.15469	1.6
290.17459	5.9
292.18948	2.0
303.04980	1.0
304.05252	0.4
308.18512	9.7
310.20096	7.1
312.71710	0.5
318.18243	0.4
320.21530	0.6
320.71677	0.6
326.19455	0.4
328.21115	0.4
373.71924	0.3
407.50784	0.3
446.28214	0.4
475.35309	0.6
477.36856	1.3
513.33154	1.0
544.75000	0.4
545.35791	100.0
546.36218	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	544.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.97597	1.2
55.05504	14.0
56.05026	3.9
57.03420	8.9
57.07071	8.3
58.06590	2.4
59.04990	57.7
61.01109	1.2
61.02914	1.7
67.05498	6.7
68.05011	2.0
69.03414	12.0
69.07058	25.8
69.65887	10.4
70.06580	51.4
71.04967	3.8
71.06916	2.7
71.08621	4.2
72.08142	49.3
73.02909	17.7
73.06544	7.1
74.06093	1.5
76.02202	2.4
77.06029	4.4
79.05479	4.9
81.03419	1.8
81.07031	9.3
82.06548	2.1
83.04956	2.3
83.08608	2.2
84.04467	10.7
84.08115	8.8
85.02894	20.7
85.06512	1.8
85.10157	1.9
86.03250	1.3
86.09691	53.0
87.04457	11.4
87.05575	3.0
87.10019	2.1
88.03963	2.4
91.05463	5.7
93.07008	3.5
94.06575	2.4
95.04939	2.2
95.08597	3.4
96.08102	3.2
97.02864	16.4
98.21485	2.9
101.07124	6.3
102.05512	2.6
104.05368	2.0
105.05486	32.4
105.06168	2.8
105.06985	3.9
107.08612	3.5
109.02856	1.8
109.06467	1.6
109.10134	4.0
110.07162	6.6
111.04420	2.0
111.11700	32.5
115.03915	8.2
115.08643	3.0
117.05490	2.2
117.07056	2.2
118.08630	3.3
119.08565	2.1
120.08089	9.0
121.10120	2.5
122.09676	1.8
123.04395	1.9
123.34965	1.4
127.03902	6.3
127.04874	1.5
127.08639	1.5
129.10201	5.2
129.12732	100.0
130.05028	1.7
135.08069	2.3
136.07545	3.3
141.10220	1.6
143.08232	1.8
143.11760	3.1
145.04932	5.9
145.06035	1.5
145.10046	1.8
147.11598	1.9
156.07680	2.9
159.09200	1.9
162.02191	2.2
163.05994	1.9
167.08263	2.0
171.11287	2.9
173.12810	2.4
175.08813	1.5
179.04741	2.3
201.12305	3.2
204.96144	1.4
211.14308	1.6
213.15941	2.3
215.16391	10.2
217.15475	3.5
220.16927	6.8
222.18517	14.9
233.17413	15.7
238.17989	15.4
238.68169	3.0
239.18646	6.2
239.69112	2.0
240.19510	18.3
241.19807	7.5
242.20241	2.1
246.17824	2.7
247.18468	2.9
254.17438	3.1
256.18942	6.5
257.19339	1.5
271.14148	2.2
272.18457	7.2
287.05502	17.3
288.05811	1.9
300.15518	2.5
303.04999	9.7
304.05411	1.5
308.03879	1.6
308.09027	2.1
311.20993	3.2
311.70999	2.5
312.21564	2.6
312.71750	1.9
320.21420	8.5
320.71677	1.8
368.24292	1.9
384.22095	1.4
481.38983	11.6
485.20847	1.4
507.74173	1.5
544.23700	5.6
544.36133	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	545.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19189	0.5
53.03926	0.6
55.01891	0.6
55.05502	3.0
56.05029	0.6
57.03411	0.7
58.06599	0.6
59.04972	0.7
67.05492	5.1
68.05023	0.6
69.03413	1.5
69.07055	5.4
70.06586	9.8
70.85266	1.6
71.04965	1.6
71.06919	0.6
72.08143	1.6
79.05486	4.3
80.05009	0.9
81.03433	1.1
81.07040	6.5
82.06568	1.6
83.04980	1.1
83.08616	1.5
84.04462	0.7
84.08125	2.3
85.02890	3.0
85.06537	1.3
86.09690	4.6
87.04454	0.7
89.06036	1.5
90.01296	0.5
91.05479	3.1
93.07040	4.8
94.06569	3.2
95.04952	1.9
95.08599	4.5
96.08121	3.5
97.02914	0.9
97.06531	1.1
97.10123	0.7
98.06027	0.5
102.05492	0.5
105.07025	2.3
107.04945	0.6
107.07331	2.1
107.08556	2.8
108.08099	5.7
109.02882	0.9
109.06493	1.1
109.10133	1.8
110.07164	1.3
110.09653	1.1
111.04459	0.5
111.08080	0.7
117.07036	0.9
119.08566	2.5
120.08091	4.3
121.06481	1.1
121.08862	1.1
121.10137	1.5
121.71793	0.5
122.09666	4.3
123.08045	0.9
123.10490	0.8
123.11661	0.9
124.07590	0.8
124.11205	1.6
127.03934	1.4
129.10242	1.0
131.08553	1.5
132.08096	0.9
133.08597	0.6
133.10127	1.8
134.09630	2.9
135.08058	1.7
135.10350	0.5
135.11681	0.9
136.07532	0.8
136.08435	0.6
136.11221	2.3
137.05928	0.6
137.09641	0.6
141.12715	0.8
143.08534	1.0
144.08057	0.6
145.10115	1.6
146.09668	1.5
147.07980	1.5
147.10333	0.6
147.11638	0.8
148.11169	1.2
149.05901	0.7
151.07552	0.7
157.10104	0.8
159.11700	0.7
160.07614	1.0
160.11136	0.7
161.13225	0.7
162.09154	1.9
163.11177	0.7
170.11809	0.6
174.09160	2.3
175.07533	0.8
176.10648	2.6
177.11188	0.6
181.08505	0.9
188.14331	0.7
190.15799	0.6
191.08403	0.5
192.17413	0.7
202.15947	1.1
216.17468	0.6
218.15419	3.4
220.16919	21.1
222.18576	2.7
223.09534	1.1
232.70021	0.6
236.16383	3.8
237.14885	1.1
238.15440	1.2
238.17975	36.8
239.18570	2.1
239.68637	0.5
240.19562	5.8
244.17006	1.9
246.18413	1.6
254.15483	0.8
256.16782	0.9
256.19086	3.9
262.17935	3.2
264.19571	3.4
272.16348	3.8
274.17969	2.2
279.23318	1.3
287.05576	1.5
290.17438	5.9
292.19019	0.8
297.24124	0.8
303.04944	0.6
306.24304	1.3
308.18515	7.8
310.20126	1.2
312.21649	0.6
409.94736	0.5
501.37128	0.8
509.33728	1.5
527.34845	13.9
545.35797	100.0
546.36163	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	543.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
54.16240	0.4
55.01842	1.1
55.05503	5.7
55.20304	0.4
56.04996	1.2
57.03427	2.0
58.06560	1.2
58.99564	0.3
59.04995	2.9
61.02890	0.4
65.03914	0.6
67.04493	0.4
67.05173	0.4
67.05496	5.9
68.04989	1.2
68.05805	0.4
68.99751	0.6
69.03410	2.2
69.06720	0.5
69.07056	6.9
70.06582	16.6
70.07382	0.6
71.01350	0.4
71.04645	0.3
71.04980	3.4
71.06883	1.3
71.75452	0.4
72.08145	3.1
74.06031	0.6
76.02211	0.9
79.05050	0.4
79.05475	6.6
80.04974	1.5
81.03383	1.0
81.07040	6.5
82.06580	2.6
82.07345	0.5
83.04560	0.5
83.04971	5.8
83.08569	0.8
84.04507	1.9
84.08126	4.1
85.02411	0.6
85.02889	7.5
85.06519	1.1
86.06015	0.4
86.09693	8.8
87.00803	0.4
87.04453	0.7
87.10028	0.6
88.03962	0.5
91.03933	0.4
91.05467	5.1
93.05730	1.0
93.07027	5.7
94.06557	6.6
95.04924	1.6
95.07307	0.8
95.08605	4.0
96.07539	0.5
96.08114	7.5
97.02858	1.5
97.06498	0.7
97.08402	0.5
97.10114	1.3
98.09647	1.0
99.04417	0.6
99.05569	0.6
99.08025	0.4
102.05514	0.5
103.05377	0.4
104.05308	0.5
105.07029	2.7
106.04960	0.4
106.06489	0.8
107.04958	0.5
107.07321	4.0
107.08565	3.0
108.07426	0.6
108.08109	11.0
109.02831	1.1
109.06507	0.6
109.08858	1.6
109.10097	1.3
110.06048	0.4
110.07121	1.2
110.09670	4.0
110.10384	0.6
111.00749	1.0
111.04417	2.2
111.08051	0.5
112.11198	0.4
116.07030	0.4
117.06950	1.1
117.09089	0.9
119.08559	2.3
120.08096	6.1
121.02853	1.0
121.06516	0.4
121.08862	0.5
121.10107	1.3
122.05982	0.4
122.09654	8.3
123.04401	0.9
123.08016	0.5
123.10425	0.8
123.11746	0.4
124.11218	1.9
125.79179	0.4
127.03883	1.3
127.04889	0.3
129.05469	3.1
129.07001	0.6
129.10252	1.8
130.04924	0.5
130.06528	0.5
131.08556	1.0
132.08057	0.7
133.06329	0.4
133.10057	0.8
134.09627	2.3
135.04410	0.4
135.08044	0.6
135.10501	0.4
135.11638	0.9
136.07550	1.5
136.11159	1.3
137.02325	3.2
137.05992	0.4
137.09579	1.0
138.09094	0.8
143.08484	0.8
145.04999	0.6
145.06140	0.5
145.10057	1.4
146.09628	0.5
147.04318	0.5
147.11696	0.6
149.02309	0.4
150.12660	0.5
152.10599	0.3
152.14297	0.5
153.01811	4.3
155.04826	0.4
155.11781	0.5
157.10034	0.4
161.13307	0.5
163.03827	1.2
163.11064	0.8
164.06985	0.5
165.01791	2.1
166.63837	0.4
170.11668	0.7
173.05952	0.7
174.12778	0.5
176.14256	1.0
183.02869	0.7
185.13091	0.5
190.15834	1.0
192.13843	0.7
192.17514	2.2
195.02827	0.4
199.07132	0.5
201.05411	1.8
201.12187	0.6
202.15915	2.0
202.17398	0.4
209.15285	0.8
215.17709	0.6
218.15414	2.2
220.16934	47.5
221.15247	0.5
221.17265	6.1
222.18588	3.4
223.18727	0.7
225.05090	0.5
228.13417	0.5
229.04924	3.9
229.17476	4.5
229.67590	1.1
230.18227	1.3
236.16405	1.1
238.17984	85.6
238.68175	9.1
239.18675	28.5
239.68932	9.2
240.19582	15.1
241.20004	4.7
242.20146	1.7
243.20462	0.6
247.18550	2.1
247.68631	0.7
256.19040	34.9
257.04422	2.6
257.19427	3.3
274.04709	0.7
275.05399	0.4
280.18988	3.6
280.69000	0.8
285.03870	0.9
287.05536	0.8
295.21185	0.9
302.20331	18.4
302.70554	5.4
303.04953	100.0
304.05289	9.5
310.19812	0.5
311.20862	62.2
311.71027	15.4
312.21085	0.6
325.69150	0.5
333.20474	0.5
348.21722	2.9
349.21582	0.5
366.22714	4.6
367.23099	0.6
373.13947	0.7
375.91351	1.3
376.24850	1.2
388.69470	0.5
391.63577	0.4
392.23505	2.2
392.74051	0.5
394.73328	0.7
475.35321	1.4
477.36682	1.2
478.37173	3.9
479.37683	2.4
480.37744	14.0
493.36292	10.2
494.36545	1.6
525.35010	0.9
542.73480	0.8
543.23621	1.9
543.35535	2.1
562.86151	0.4
563.36719	0.6
567.36566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05508	4.1
57.03415	0.8
57.07071	22.5
58.06594	0.8
59.04986	0.7
65.03932	1.5
67.05480	1.8
69.03419	2.7
69.07057	3.6
70.06590	6.2
70.90089	1.3
70.90456	1.2
71.05001	2.7
72.08133	1.0
73.06535	1.2
78.54815	0.5
79.05489	1.0
81.03400	2.2
81.07047	3.1
83.08616	4.8
84.08121	1.7
85.02898	8.0
86.09692	2.2
87.00807	1.6
87.04465	0.6
89.06024	3.9
91.05440	1.3
93.07048	1.2
94.06630	0.6
95.04987	0.7
95.08590	3.5
97.02872	2.3
97.10153	2.0
98.09698	0.7
99.04456	1.0
105.01826	1.1
107.08568	0.9
108.08147	1.2
109.02861	2.0
109.10114	1.4
119.08562	0.9
121.02854	3.4
127.03913	4.0
129.05452	0.7
129.10236	0.7
133.08606	2.0
144.32632	0.7
145.04950	0.9
145.10097	0.6
149.02327	100.0
150.02594	0.9
155.14340	0.7
167.03426	2.2
190.04929	0.9
197.99037	0.6
205.06781	0.9
205.08585	9.3
220.17001	2.1
221.08063	1.6
221.13757	0.8
222.18533	4.5
223.18893	2.0
238.18053	3.5
239.18422	1.6
240.19571	19.1
241.19887	8.8
242.20433	0.7
277.14307	10.0
303.05170	0.9
311.20883	0.8
388.69653	1.2
478.37143	1.0
479.38220	9.8
480.38626	16.1
543.36389	1.7
545.52655	0.7
547.32904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49060	0.5
71.49385	0.5
78.23769	0.3
91.78054	0.4
121.01646	0.5
158.36499	0.5
163.02710	0.4
191.01584	0.4
205.03754	0.5
220.05545	0.4
247.04933	1.4
320.59601	0.4
346.49512	0.5
363.06906	2.6
381.03964	0.3
381.07904	10.0
543.13190	100.0
544.13275	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	543.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.6
57.03416	0.6
57.06792	1.1
57.07068	19.2
58.06575	0.8
58.82265	0.5
65.03918	1.6
67.05485	1.9
69.03395	1.2
69.07042	1.9
70.06578	5.9
71.04980	3.1
71.65986	1.0
72.08120	0.9
73.06537	1.3
79.05484	1.3
80.23588	0.5
81.03384	1.1
81.07035	3.9
82.07387	0.8
83.08593	0.8
84.04474	0.5
84.08119	1.0
85.02895	4.9
85.06539	0.8
86.09684	1.5
87.00814	0.7
87.04424	0.9
89.05995	1.2
91.05463	1.8
93.07025	1.5
95.08592	4.3
96.08129	1.1
96.08957	0.6
97.02879	1.4
98.09660	0.7
105.07009	0.9
107.08606	0.8
108.08076	0.8
109.02879	1.0
109.06519	0.7
109.10152	1.3
111.67982	0.5
117.06940	0.7
121.02881	2.7
121.10065	0.9
127.03915	1.9
129.05489	0.7
129.07036	0.6
129.10155	0.8
143.34447	0.6
149.02318	100.0
149.84413	0.6
150.02702	0.7
157.10063	0.5
161.05986	0.9
167.03375	2.3
175.07529	4.3
182.15488	0.6
182.26939	0.5
190.05069	1.1
190.22939	0.5
195.09550	0.6
203.06981	6.6
205.08592	5.8
220.16975	2.7
221.08138	1.4
222.18478	5.2
223.18802	2.3
238.17966	3.4
239.18495	2.6
240.19568	18.9
241.19901	7.8
242.20010	0.8
272.18411	0.6
273.74545	0.5
277.14297	23.4
277.21329	0.6
295.15500	0.7
303.04959	1.8
311.20914	1.5
388.69302	0.9
479.38113	9.8
480.38580	16.3
543.28253	0.8
543.36115	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	542.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
56.04998	0.8
58.06591	2.1
58.35467	0.3
60.69934	0.2
64.99926	0.3
65.76450	0.2
67.05498	3.4
69.07062	1.5
70.06581	9.2
71.04957	0.5
72.08118	0.9
75.16983	0.2
79.05474	1.7
81.06582	0.3
81.07040	6.0
82.06547	0.9
83.08585	0.8
84.04469	0.4
84.08150	1.9
85.02869	0.4
86.09663	0.5
91.05458	1.0
93.07029	1.3
94.06497	0.3
95.08591	5.2
96.08102	1.4
97.10152	0.6
98.09205	0.2
98.09681	3.1
105.06985	0.9
107.08556	1.2
108.08087	0.4
109.10111	1.7
110.09651	0.7
114.02046	0.3
119.08549	0.5
120.08054	0.3
121.10101	0.7
122.09617	0.6
122.10458	0.3
123.11652	0.6
131.08487	0.4
137.09506	0.4
140.10640	0.3
145.10077	0.6
147.11682	0.3
150.80936	0.3
154.12106	0.3
182.65575	0.3
187.14807	0.4
194.15331	0.5
194.19009	0.7
206.00410	0.3
212.16422	1.0
220.16898	1.0
222.18501	25.7
223.18892	0.6
238.17992	2.6
239.18683	3.0
239.68939	0.6
240.19547	100.0
241.19879	2.1
258.20667	1.2
290.08438	0.3
303.04749	0.4
445.21326	0.3
479.38370	95.2
480.38638	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	542.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.4
57.07067	49.5
58.06578	2.2
59.04985	3.5
67.05485	2.4
69.07047	3.1
69.66438	4.4
69.66859	2.6
70.06574	3.8
71.04971	1.3
71.08242	2.2
71.08622	38.0
72.08136	1.0
73.06542	5.6
81.07035	4.0
83.08591	3.3
84.08192	1.0
85.09657	1.9
85.10172	34.5
87.04452	6.8
89.06020	100.0
91.05472	1.5
91.07615	1.6
93.07051	1.5
95.08601	2.4
97.10136	2.2
98.09660	1.2
98.20699	0.8
99.11705	5.4
103.07574	2.2
107.07041	4.9
107.08556	1.7
113.13294	1.5
116.16195	0.9
117.09102	4.9
119.08564	1.0
128.73532	0.9
130.08591	4.4
131.07008	2.3
133.08585	61.6
135.10190	1.2
141.16328	3.0
155.17896	1.9
161.11693	1.4
162.16530	1.0
165.19579	1.1
165.89163	1.0
175.09604	2.1
177.11177	22.9
182.99110	0.8
195.12334	1.3
199.20456	5.1
221.13895	6.3
221.17198	1.3
222.18536	10.8
238.18060	3.5
239.14861	2.1
239.18332	2.3
240.19568	46.1
240.23378	1.9
241.19942	3.4
243.23187	10.2
261.03851	0.8
283.17548	3.7
287.25781	6.1
315.98715	0.9
327.19992	11.6
371.22742	7.3
477.36465	1.7
479.38141	56.0
480.38135	1.6
481.36877	1.5
524.79407	1.1
525.39972	19.8
536.97113	1.0
542.42853	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	540.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60485	0.5
55.05500	1.4
55.36202	0.6
58.06569	0.8
60.62449	0.5
65.74162	0.6
67.05482	1.5
69.07050	2.1
69.61502	4.0
69.61906	1.1
70.06581	4.2
79.05472	1.2
81.07047	1.7
82.06556	0.7
83.08566	0.7
91.05476	0.8
93.07017	1.7
94.06537	1.6
95.08593	1.4
96.08103	2.6
98.09692	0.7
98.21469	1.1
105.07027	1.5
107.08556	1.0
108.08098	2.5
110.98012	0.5
117.03124	0.6
121.10127	0.7
122.09639	1.4
124.11156	0.7
130.54518	0.6
137.85194	0.5
181.71225	0.6
192.17473	1.0
218.15424	0.9
220.16930	17.2
222.18515	8.0
238.17978	50.8
239.18597	1.0
240.19547	32.9
256.19025	1.0
264.00089	0.6
284.34143	0.5
459.35367	0.7
477.36823	100.0
478.37292	2.3
540.36456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.5
58.06587	1.0
59.03212	0.4
60.27745	0.5
67.05486	1.7
69.07053	1.4
69.34148	0.5
69.34491	2.4
69.34959	1.9
69.35279	0.5
70.06584	4.5
70.13998	0.5
71.04963	0.5
74.83183	0.4
79.05470	1.2
81.07030	2.3
82.06573	1.0
84.08134	1.0
86.09673	0.4
91.05448	0.9
93.07019	1.8
94.06539	1.1
95.08569	1.7
96.08112	3.1
98.09689	0.6
98.21590	0.6
105.06996	0.9
107.07338	1.0
107.08569	0.8
108.07376	0.6
108.08076	3.3
109.10130	0.8
109.72974	0.4
110.09679	0.8
119.08487	0.5
120.08075	1.0
121.10159	0.6
122.09624	2.1
124.11225	1.2
126.77998	0.4
147.11697	0.5
163.11247	0.4
170.11725	0.4
192.17493	0.7
198.62282	0.4
202.15895	0.9
218.15411	0.7
220.16930	18.8
221.17366	0.5
222.18489	7.2
236.16473	0.8
238.17970	42.4
239.18625	1.0
240.19543	32.4
241.19742	0.4
256.19025	1.7
258.20703	0.6
460.35236	0.5
477.36789	100.0
478.37164	3.5
564.80975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05256	2.2
55.05508	30.3
55.56832	1.8
57.03427	7.7
57.07072	26.2
59.04987	5.4
61.02912	6.8
67.05494	36.4
68.59863	1.3
68.73946	1.6
69.03443	2.5
69.07060	55.8
70.81950	5.8
71.04967	4.8
71.08627	17.5
73.02926	2.7
75.04476	3.3
79.05482	14.4
81.06572	2.7
81.07046	46.7
83.08611	43.0
85.02888	5.4
85.06543	3.6
85.10160	12.9
87.04460	3.2
89.06013	10.0
91.03902	2.7
91.05804	3.8
93.07031	21.0
95.08595	50.5
97.02908	2.2
97.06522	6.5
97.10159	26.0
99.08089	3.0
105.06972	1.5
107.08575	17.4
109.10143	28.1
111.08099	4.9
111.11718	10.1
111.45510	1.4
113.09656	1.6
121.10122	33.4
123.11690	8.8
125.09673	2.9
125.13253	2.5
133.08563	8.3
135.11671	29.1
137.13246	3.2
139.11197	3.5
149.13219	12.4
151.14813	9.3
153.12726	2.2
162.11649	1.7
163.14807	4.5
165.16393	5.4
167.05533	6.6
176.47607	1.6
177.11237	3.4
177.16382	2.4
184.07343	1.9
191.17932	3.1
199.88774	1.9
225.04456	1.6
239.09468	2.1
247.24165	35.5
265.25238	100.0
273.87866	1.6
283.26303	14.9
299.06165	11.9
339.28918	89.8
357.29904	37.3
357.34103	2.2
404.46780	1.6
510.84219	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	538.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
53.61705	0.6
55.01862	1.3
55.05492	5.9
56.05022	1.4
57.03157	0.9
57.03428	14.5
57.07054	2.5
57.21841	0.7
59.04980	1.8
60.04503	0.8
61.02919	4.7
67.05493	3.5
68.68015	0.6
69.03421	15.3
69.07059	5.1
69.84253	3.6
69.84658	1.3
70.06579	15.4
71.01343	1.9
71.04971	4.1
71.06908	0.8
72.08141	6.6
73.02905	26.5
74.06078	0.8
76.17387	0.6
79.05466	2.8
81.03388	2.1
81.07043	8.0
83.04967	4.1
83.06075	0.7
83.08607	4.7
84.04491	5.5
84.08125	5.1
85.02893	19.8
85.06520	2.5
86.09693	9.9
87.04442	1.0
91.03936	1.0
91.05438	3.2
93.07025	9.5
95.04954	30.7
95.05572	1.5
95.08595	4.1
96.08134	0.9
97.02880	19.9
97.06511	7.6
99.04447	8.9
99.08067	2.9
101.40150	0.6
102.05532	1.8
104.05275	0.8
105.06403	0.8
105.07024	11.0
107.08578	11.0
109.02847	2.3
109.05802	1.1
109.06502	16.2
109.10138	11.1
110.07143	2.8
111.08037	2.7
113.07128	0.8
113.09625	0.8
115.03174	1.0
115.03907	12.7
116.07099	0.8
117.07018	1.1
119.04890	0.9
119.08574	7.0
120.08105	5.9
121.06438	0.7
121.10122	14.0
121.40231	0.6
123.08036	5.3
123.11665	2.9
125.09619	2.9
127.03892	6.3
127.07585	1.1
129.09366	0.8
129.10196	4.6
130.04958	1.4
131.08577	8.2
133.04938	4.6
133.10112	42.2
135.08049	5.9
135.11636	4.4
136.03796	0.6
136.07556	5.5
137.09700	0.7
138.09023	0.7
139.11160	23.5
143.10645	1.4
145.04950	5.3
145.10138	4.1
147.07608	1.7
147.11664	20.9
149.09627	0.7
149.13234	6.4
151.11183	3.5
153.07919	1.3
153.09084	17.9
155.08054	0.7
158.10899	2.0
159.11275	0.8
163.06003	1.6
163.11145	0.7
163.14801	2.8
165.12732	6.6
167.10748	0.7
167.14275	3.1
171.10109	4.6
173.13226	23.7
175.14769	0.7
179.89963	0.7
191.14278	36.7
193.04913	1.0
201.12450	0.8
209.15335	53.0
218.15265	0.8
220.16939	5.5
223.05943	1.2
227.16380	100.0
228.16751	0.9
229.11827	1.2
238.17976	10.9
240.19576	1.5
241.06934	0.8
246.17525	0.7
246.67981	1.3
258.14136	0.6
259.08203	1.4
278.33002	0.7
379.38995	0.8
472.45374	0.8
475.35172	14.7
538.26074	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	536.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60343	0.4
59.80585	0.6
61.01113	0.6
69.98883	3.0
70.53711	0.5
73.04748	10.4
75.02690	0.9
75.39441	0.4
79.02153	0.5
81.00017	0.5
86.87981	0.5
91.05784	46.1
93.03705	1.3
95.97114	0.5
98.21493	0.6
103.90044	0.5
109.06813	1.3
114.07361	8.5
122.09736	0.4
149.04466	6.0
155.72769	0.4
167.05534	42.9
190.07143	4.3
221.08353	0.7
223.06294	3.9
225.04251	10.4
227.02216	2.5
238.17973	1.0
239.09451	8.9
255.58107	0.5
266.99878	11.7
268.97751	1.4
281.04956	5.0
283.02994	16.7
285.00882	1.5
297.08197	1.3
299.06128	100.0
322.07632	3.8
326.96466	1.0
341.01874	0.8
342.99612	1.4
344.97592	16.8
359.02814	8.4
367.99240	1.8
415.03616	18.3
433.04456	2.0
503.10742	10.3
519.13495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
55.05507	0.5
56.05032	2.6
67.05489	0.5
69.03420	0.5
69.07040	0.7
70.06580	4.2
70.93303	0.9
72.08129	0.9
74.02444	0.9
74.06065	5.2
79.05470	0.5
81.07052	1.0
82.06559	0.4
83.08606	0.4
84.04491	0.9
84.08128	1.6
85.02895	0.5
86.09690	95.4
87.05579	2.6
87.10005	0.4
88.03990	0.4
91.05481	1.0
93.07024	1.4
95.04967	0.6
95.08601	0.7
98.06026	1.6
103.05452	3.4
107.04955	0.4
107.08561	0.6
108.28824	0.3
109.08978	0.3
110.07179	0.4
112.11240	0.4
112.63011	0.3
116.03423	0.6
116.07069	0.8
119.08625	0.3
120.08083	100.0
121.08442	0.8
121.10107	0.4
125.09448	0.4
126.05493	7.5
126.06379	0.6
129.10226	1.1
131.08536	0.3
133.06061	12.0
136.07587	0.5
144.06482	0.6
147.04369	0.4
155.08220	0.4
157.10094	0.4
159.09189	0.5
166.13997	0.3
171.11389	0.5
173.12775	0.4
183.14909	0.7
187.14365	0.4
195.11356	1.6
211.14374	1.9
220.16866	1.1
222.18529	1.0
229.15442	0.5
233.16449	5.3
235.16884	0.4
238.17961	2.3
238.68147	0.8
239.13860	28.1
239.18671	2.2
239.68832	0.8
240.14194	0.5
240.19528	2.1
256.18802	0.6
257.14917	17.9
261.15961	5.6
262.11896	0.4
263.10226	4.8
265.64331	0.3
280.12869	17.4
287.05414	1.8
288.05771	0.9
312.21170	0.5
376.18069	0.8
376.18854	0.5
376.22195	2.3
386.20609	0.6
393.21054	1.5
404.21692	2.8
474.23331	0.9
518.25549	0.4
536.24255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	53.3
56.29492	0.6
58.06598	0.7
60.04510	1.4
61.01139	15.2
67.27744	0.6
69.03417	0.9
69.07061	8.8
69.71255	5.0
70.02949	4.9
70.06583	21.0
71.08612	0.7
72.08145	7.3
74.06068	15.9
80.05003	3.9
81.07080	0.8
82.06577	2.5
83.06097	1.6
84.04490	6.4
84.08134	9.1
85.02896	2.2
86.09692	100.0
87.05576	15.1
87.10043	0.8
88.03966	3.2
91.05457	1.1
98.02398	9.8
98.06030	0.9
98.21458	1.5
99.05588	0.9
100.03938	1.6
101.07112	1.4
102.05540	2.1
103.05456	1.0
104.05313	35.7
107.04886	1.0
108.04441	3.4
110.07144	7.6
110.09643	0.8
111.05545	4.9
112.08709	0.9
115.05042	2.7
116.07002	0.8
119.04913	1.2
120.08103	6.2
123.04377	0.8
124.11230	0.7
125.07100	19.8
127.08681	1.0
129.10213	4.0
130.05003	2.1
131.04907	2.0
135.04398	0.6
136.07594	3.4
137.09570	0.7
138.06599	0.8
140.04681	1.4
141.06583	1.0
141.10182	1.5
142.12257	2.7
143.11803	0.8
147.04362	1.3
147.07652	1.3
150.06638	1.2
152.08243	1.3
152.10655	0.8
153.06564	29.0
155.06961	1.6
156.04834	0.8
159.05853	19.8
159.07689	2.1
159.09103	1.5
163.03880	1.7
164.07025	0.7
165.05463	0.8
169.09657	0.8
169.13329	0.8
170.09224	73.8
171.09554	0.7
172.11469	4.2
173.07417	4.4
177.05568	1.0
177.08696	12.0
181.05960	1.3
182.08145	3.4
184.04256	2.4
187.07167	1.4
187.14389	4.3
197.12889	1.5
201.06926	5.3
201.08609	1.1
204.06654	1.3
206.12979	3.6
213.07547	1.1
215.13890	16.2
217.13666	3.8
218.09550	43.4
229.06357	5.8
245.13191	1.5
246.09048	71.4
247.09415	2.0
254.13150	15.3
272.16162	3.3
285.15292	0.9
287.11282	2.0
290.17047	15.3
299.06171	0.8
300.13669	4.4
324.13663	2.6
331.17972	4.4
341.16162	3.3
342.14624	3.9
346.17755	1.3
347.13931	0.9
359.17419	69.3
360.17920	1.7
386.22562	1.1
415.20059	1.2
431.19653	2.1
442.21335	1.9
443.19504	2.3
456.14841	0.7
460.22174	11.3
500.21576	1.3
517.23993	3.2
535.24933	5.7
536.31671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01860	3.5
55.05507	21.8
57.03432	6.3
57.07067	14.0
61.02909	5.0
65.03929	4.0
67.05496	89.5
69.03429	6.1
69.07059	28.7
69.61039	10.2
71.04979	3.6
71.08630	7.3
79.05485	22.4
79.39783	1.5
81.03408	6.1
81.07047	100.0
83.04964	4.6
83.08609	22.9
85.02901	12.0
85.06538	3.3
85.10168	3.8
89.06014	4.0
91.03952	2.1
91.05469	19.0
93.07037	30.1
95.04939	3.6
95.08597	87.1
97.02876	6.0
97.06526	6.1
97.10157	12.6
99.04448	1.7
99.08075	5.2
104.20903	1.3
105.07024	16.0
107.04962	1.8
107.08578	19.4
109.02811	1.4
109.10144	42.7
111.04459	1.2
111.08073	4.4
111.11697	4.2
113.09597	1.6
117.06988	2.4
119.08569	15.1
121.06477	1.4
121.10139	26.0
123.11690	20.4
125.09607	2.7
127.03922	1.5
127.11176	1.8
129.05537	1.4
129.06975	1.3
130.68480	1.3
131.08563	4.3
133.10127	16.4
135.11690	14.1
137.09647	1.4
137.13229	8.3
139.11176	1.9
141.12732	3.3
145.04919	2.0
145.10089	1.4
147.11665	13.4
149.13245	13.2
150.67543	1.3
151.11229	2.6
151.14778	7.8
153.12723	1.5
155.14301	3.9
161.13231	17.2
163.14764	11.9
165.12723	1.4
165.16380	12.2
167.14401	1.3
173.13249	1.5
175.14807	10.7
177.16425	2.3
179.14333	2.2
179.17984	6.7
181.15912	1.7
189.16342	6.0
191.10716	1.6
193.15756	2.0
203.17870	1.7
207.76654	1.3
217.19591	1.6
227.20049	10.9
245.22636	61.3
261.21979	1.6
263.23676	93.2
265.25430	1.7
279.23163	2.1
281.20932	1.3
281.24844	2.6
291.23044	1.6
293.24710	2.4
317.24820	1.9
321.24396	2.1
329.24619	2.0
337.27353	41.7
341.24698	1.4
353.24649	2.7
355.28394	5.0
371.25757	9.7
372.02670	1.4
389.26953	11.4
407.27908	9.8
425.28967	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	534.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83628	1.3
55.05294	1.5
55.05504	16.4
57.03421	6.0
57.07071	10.4
60.08157	3.2
61.02927	6.8
61.03189	1.5
65.03920	1.5
67.05496	75.7
69.06706	2.0
69.07060	26.2
70.88913	5.0
71.07362	2.6
71.08624	6.5
74.97124	1.3
79.05046	2.4
79.05478	18.7
81.07047	90.0
82.98557	1.6
83.08611	21.4
85.02869	5.4
85.06539	3.0
85.10155	3.1
86.09691	13.7
89.06016	1.3
91.03961	1.6
91.05467	13.3
93.07034	22.6
95.08594	76.5
97.02882	2.1
97.06508	5.3
97.10147	15.5
99.08086	3.9
99.99291	1.6
104.10732	50.9
105.07024	12.4
107.08588	17.6
109.10143	36.5
111.08061	3.7
111.11678	4.3
113.09653	2.7
119.08559	11.8
121.10124	21.9
123.08041	2.0
123.11711	19.1
125.00023	3.2
125.09595	1.7
133.10110	15.7
135.11694	12.3
137.13231	9.2
141.12717	2.8
147.11679	12.6
149.13255	12.6
151.14780	8.5
155.14259	2.7
161.13210	12.1
163.14822	11.0
165.16301	10.0
167.14268	2.2
175.14824	13.8
177.16412	2.5
179.17909	9.6
184.07332	8.0
189.16405	4.3
205.34973	1.5
245.20036	1.8
245.22621	61.3
263.23666	100.0
337.27325	69.3
337.31561	1.8
355.28406	9.7
475.22104	12.1
499.32693	3.3
534.29175	7.2
534.35425	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	534.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53269	0.6
52.43244	0.7
52.93678	0.5
55.01859	1.4
56.05022	1.6
57.03416	1.7
58.30707	0.5
60.04507	1.3
61.02909	1.6
65.03932	0.6
69.03416	4.1
69.07068	0.6
70.06583	14.3
71.00091	1.4
71.00426	0.6
71.04986	0.6
71.48118	0.5
72.08140	4.1
73.02898	0.9
74.06073	0.9
81.03402	1.8
84.04485	2.8
84.08128	3.0
85.02898	17.4
86.09699	3.7
91.05472	3.9
93.06995	0.6
95.91146	0.6
97.02876	4.3
99.04415	0.8
102.05537	1.3
107.04931	3.3
109.02843	1.6
109.06538	0.6
110.07147	2.0
112.08730	0.8
119.04936	11.2
120.08092	1.0
121.02844	1.4
123.04412	6.2
127.03905	3.5
129.10229	2.3
130.05016	0.7
130.48793	0.6
131.04912	1.6
133.02852	2.6
133.06485	3.7
135.04404	0.6
136.07527	1.0
137.05960	89.8
138.06293	0.7
141.10257	0.7
145.04936	3.6
147.04391	100.0
148.04761	1.1
149.05910	1.0
159.04440	1.5
159.09203	1.0
161.02290	2.9
161.05954	5.2
163.03896	0.9
165.05461	13.4
171.04344	2.0
171.07689	0.6
173.05922	1.1
173.12857	0.9
177.05493	1.1
179.03461	1.7
179.07016	49.4
187.03873	3.8
187.10768	1.6
189.05450	13.6
199.03848	5.3
201.12427	1.1
203.10274	1.8
205.04987	0.8
217.04939	21.0
217.61743	0.6
233.12834	0.6
241.04807	0.6
245.04378	0.9
256.16736	0.5
259.06009	1.2
263.05475	35.9
265.07083	0.6
290.13416	0.7
305.06549	2.7
323.07578	78.6
324.08017	1.1
341.08725	2.9
355.06207	1.1
355.10236	11.2
364.10184	0.8
368.40585	0.6
397.20453	1.0
419.23920	0.8
444.87061	0.7
534.26086	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	534.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.4
55.01868	11.9
55.05508	10.8
56.01116	1.7
56.01391	1.7
56.05013	5.6
57.03409	5.6
58.04120	1.6
58.06571	2.4
60.04501	2.4
61.02908	4.4
65.03906	2.4
67.05476	14.6
68.99783	2.7
69.03414	17.3
69.07062	27.0
70.06582	100.0
70.17110	10.1
71.01327	2.0
71.04975	10.2
71.06914	5.0
72.08140	12.8
73.02892	5.5
73.06517	1.8
74.06051	3.8
79.05482	18.8
80.05032	1.9
81.03411	18.0
81.07048	27.5
82.06538	4.4
83.04967	16.7
83.08610	2.1
84.04497	15.7
84.08134	27.9
85.02420	3.2
85.02894	39.3
85.06533	3.7
86.09697	46.1
86.10220	2.6
87.00817	17.7
87.04471	2.9
87.05560	3.1
87.10001	2.7
89.05991	2.3
91.05472	20.2
93.07029	23.5
94.06527	6.1
95.04963	13.4
95.08579	14.8
96.08087	8.0
97.02871	27.4
97.06522	37.9
99.04433	25.5
101.06019	2.1
102.05517	3.4
103.05493	2.4
104.05286	2.5
105.01846	8.3
105.07005	28.6
107.04948	10.9
107.07325	3.7
107.08575	23.9
108.04488	2.1
108.08102	8.0
108.08852	2.6
109.02843	16.7
109.06495	10.4
109.08895	2.3
109.10133	8.1
110.07145	7.6
110.09631	2.2
111.04388	3.8
116.07069	4.6
117.01859	3.5
117.06981	8.0
119.04906	9.7
119.08553	10.7
120.08082	19.3
121.06487	17.8
121.10175	9.7
122.09686	2.5
123.04401	32.1
123.08025	4.0
124.04691	2.0
125.05971	35.8
127.03891	25.9
127.07520	3.5
128.06223	2.4
129.10225	15.1
130.04991	2.6
130.07732	3.7
131.02180	2.0
131.08528	13.1
132.10176	2.3
133.06406	5.0
133.10114	11.1
135.04366	5.8
135.08023	4.4
135.11652	4.9
136.07564	5.3
137.05959	6.1
139.07526	5.3
143.07021	48.4
143.08565	3.9
144.09380	2.5
145.04918	12.2
145.06393	3.7
145.10104	62.1
147.04393	5.2
147.11638	5.9
149.02350	3.6
151.07523	4.7
152.14490	2.2
153.05403	2.4
154.07756	3.1
155.06982	2.2
155.08389	2.8
157.09723	2.8
158.07191	3.8
159.02867	11.0
159.07996	8.0
159.11661	21.6
161.09544	5.0
161.13147	2.0
163.03864	4.3
163.07446	3.1
163.11157	81.6
165.09111	2.1
169.10094	8.2
172.08841	2.2
173.09581	47.4
173.12822	6.3
175.07478	3.1
175.11960	2.3
177.08955	2.1
177.12729	4.9
181.12204	7.8
183.14920	6.2
185.12880	3.2
187.07423	2.7
187.11153	41.7
189.12675	4.9
191.03430	2.8
191.10606	26.0
197.09499	5.5
199.07501	3.1
201.12328	5.2
205.12225	57.1
209.11717	3.3
209.15334	3.5
211.14357	2.5
213.03879	3.0
215.08644	3.1
215.10638	48.2
218.15419	2.1
220.16913	21.9
221.17229	2.9
222.18448	8.2
223.13145	5.4
226.11876	2.1
231.05045	3.6
233.11702	89.4
233.15228	3.6
236.16489	4.2
238.17982	43.9
238.68175	2.6
239.18689	33.2
239.68907	12.9
240.19531	34.0
241.19896	4.9
246.17728	4.1
247.18532	3.0
251.12747	67.4
251.16489	4.1
256.18906	3.1
267.19623	3.1
268.19855	3.0
269.13800	43.9
354.00504	2.1
385.25217	2.4
406.19965	2.8
433.78830	3.3
467.22192	3.2
476.23212	2.4
477.36398	3.0
499.17978	3.4
533.35962	3.2
534.23236	10.0
534.35822	8.5
534.74548	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	532.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70805	3.2
55.05498	12.5
57.03429	12.0
57.07068	28.7
67.05486	16.4
68.52711	3.3
69.07051	15.7
71.08621	16.8
71.41164	3.8
71.42128	5.7
79.13800	3.6
81.07050	28.2
83.08600	16.7
85.10165	9.0
87.04483	5.0
89.05995	5.3
91.05451	5.6
93.07042	7.6
93.22473	3.6
94.65106	3.5
95.08592	43.9
97.06506	7.4
97.10168	12.2
101.09722	3.4
105.06983	4.0
107.08570	9.4
109.10139	15.1
111.11676	6.3
121.10128	17.1
125.09566	4.4
135.11684	5.7
139.11159	3.8
153.35347	4.1
161.31940	3.3
163.17525	3.3
177.16359	10.5
183.17451	5.5
185.12804	3.4
195.17357	6.6
257.21088	100.0
259.19009	14.0
297.20596	45.3
314.16412	4.3
315.21719	39.1
497.38290	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01860	2.8
55.05502	7.6
56.05024	3.2
57.03434	1.5
57.07071	4.4
58.02969	0.6
58.06594	0.9
60.04517	72.6
67.05499	10.3
69.03409	1.4
69.07057	10.3
69.84225	2.7
69.84633	1.6
70.02979	0.7
70.06584	1.8
71.04984	8.7
71.08602	2.6
72.04517	2.0
74.06069	3.1
79.05478	8.7
80.05007	2.4
81.03412	11.1
81.07046	16.0
82.06574	1.7
83.04992	0.7
83.08611	3.6
85.02892	2.3
85.06535	5.6
85.10201	1.2
86.06063	1.5
87.04442	0.9
88.07643	1.3
89.06052	0.6
90.05553	1.6
91.05461	2.7
93.07025	9.6
94.06558	6.2
95.04971	5.0
95.08593	18.6
96.08127	3.0
97.06523	7.6
97.10165	2.7
98.06044	3.9
98.09706	1.7
98.20816	1.1
99.06867	0.6
99.08076	4.9
100.99088	0.5
103.05481	0.7
105.04527	0.7
105.07017	7.0
107.07308	1.2
107.08538	0.7
110.09647	2.5
111.08067	6.6
111.11703	0.8
112.07626	0.8
112.11264	1.6
114.09137	0.8
122.09651	13.0
122.10452	0.9
123.07165	1.1
123.08050	19.9
123.08920	1.1
128.10710	15.0
129.09105	0.6
140.10683	90.3
141.09090	7.9
141.11034	1.0
158.11746	11.4
166.62823	0.5
176.12788	9.3
194.13898	1.7
338.34305	1.8
350.34164	0.7
356.35086	5.8
381.77014	0.7
382.36646	0.7
384.25262	0.6
398.36218	1.5
408.38156	0.5
460.41333	0.6
466.54874	0.6
478.42468	6.0
496.43576	34.6
497.44141	0.9
514.44629	100.0
515.45099	2.3
532.38922	0.5
532.45764	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	533.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.0
56.05023	2.1
57.05806	1.1
57.41436	0.4
60.04524	1.0
61.01134	0.8
68.96218	0.4
69.03430	0.6
69.56400	3.7
70.02951	2.1
70.06584	10.6
72.08146	100.0
73.08489	0.9
74.06058	0.8
74.68079	0.5
81.03391	0.6
81.07043	0.6
82.06573	0.8
84.04490	1.9
84.08135	3.8
85.02902	2.1
86.09705	5.5
87.05580	33.1
88.03972	2.1
91.05476	1.0
93.07017	0.5
95.04967	0.8
96.08118	0.6
98.02418	1.2
98.06062	0.4
98.09687	0.8
99.05585	0.7
101.07127	0.6
102.05544	1.5
104.05312	2.3
107.04897	0.5
110.07170	1.8
115.05042	0.5
115.08639	0.8
115.12350	0.6
116.07095	0.6
120.08077	2.2
124.07601	1.8
126.12747	1.0
127.08675	4.5
129.10246	2.6
130.05025	0.9
133.03186	2.2
136.07585	1.9
141.06584	3.7
141.10207	6.5
143.11784	17.5
150.05827	2.1
151.08705	0.5
152.03455	0.8
152.07042	3.6
157.09720	0.5
159.09216	0.5
163.03929	1.4
169.05974	2.2
169.09702	6.1
171.11266	20.9
182.08014	0.4
186.08745	6.9
186.12358	19.7
191.14296	2.1
197.16568	0.8
201.12517	0.5
209.15416	1.5
214.11838	15.3
223.10811	0.6
225.16075	0.5
240.13368	2.8
249.12666	2.2
257.16098	1.3
259.11127	0.8
268.12991	1.0
285.15549	40.4
313.15051	1.2
313.18643	1.1
323.17532	0.9
339.20264	2.4
346.14160	1.1
353.19595	1.2
356.22879	24.3
363.16980	4.1
384.22357	20.2
416.19684	0.6
417.18170	1.3
422.23969	0.8
434.20700	1.3
438.68475	0.5
490.26501	0.6
515.26154	0.6
516.24908	3.4
533.27448	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	531.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01846	0.3
55.05502	3.3
56.05032	1.1
57.03419	0.3
58.06563	0.7
58.99550	0.2
60.04488	0.3
61.01123	0.2
65.03913	0.3
65.50733	0.1
67.05168	0.2
67.05492	2.7
68.05013	0.9
69.03401	0.4
69.07058	3.8
70.06582	8.2
71.04969	0.4
71.06884	0.4
71.75276	0.2
72.04420	0.1
72.08141	1.4
74.06038	0.7
76.02216	0.8
79.05069	0.3
79.05482	4.6
79.20052	0.1
80.04993	0.9
81.03395	0.3
81.05763	0.4
81.07045	3.6
82.06561	2.1
83.04937	0.4
83.06100	0.2
83.08576	0.6
83.41446	0.1
84.04486	1.7
84.08133	1.6
85.02867	0.4
85.04843	0.2
85.06502	0.3
86.09693	5.9
87.05515	0.4
87.10001	0.4
88.03963	0.4
91.05470	2.5
92.05759	0.2
93.05742	0.6
93.07027	3.0
94.06553	5.0
95.04943	0.8
95.07317	0.7
95.08590	1.9
96.08120	5.0
97.06493	0.3
97.10168	0.8
97.41512	0.1
98.06019	0.2
98.09651	0.4
101.07095	0.5
102.05497	0.4
103.05399	0.3
104.05289	0.3
105.07008	2.0
105.66245	0.1
106.06533	0.9
107.04911	0.3
107.07329	3.6
107.08566	2.2
108.08102	9.4
109.02794	0.2
109.06466	0.6
109.08898	1.2
109.10098	0.4
110.06006	0.4
110.07162	1.0
110.09660	2.5
112.08708	0.2
112.11221	0.2
115.05361	0.2
115.08643	0.2
117.05678	0.2
117.06974	0.5
118.06678	0.3
119.04899	0.2
119.07304	0.3
119.08567	1.4
120.07236	0.3
120.08087	6.1
121.06474	0.3
121.08891	2.6
121.10104	0.5
121.52863	0.1
122.05965	0.3
122.09650	8.3
123.04339	0.2
123.08032	0.6
123.10474	0.8
124.07540	0.6
124.11214	1.6
125.09589	0.6
126.05491	0.2
127.03901	0.2
127.04967	0.1
127.08559	0.2
129.06824	0.2
129.10211	0.8
130.04961	0.3
130.06479	0.3
131.07201	0.2
131.08609	0.8
132.08084	2.1
133.05156	0.6
133.06137	0.3
133.08797	0.4
133.10071	0.6
134.05983	0.6
134.09628	2.4
135.04314	0.3
135.07961	0.1
135.10362	0.5
135.11581	0.4
136.07555	1.0
136.11206	0.8
137.09566	0.4
138.09106	1.1
141.06708	0.2
143.08578	0.4
143.11775	0.5
144.08022	0.6
145.08963	0.3
145.10085	0.7
146.05984	0.4
146.09633	1.6
147.06752	0.9
147.07758	0.2
147.10376	0.4
147.11552	0.3
148.07578	1.2
148.11194	1.0
149.12018	0.2
150.09111	0.5
150.12769	0.3
151.06284	1.3
152.07013	0.6
152.10602	0.2
156.07697	0.3
157.10001	0.3
158.09587	0.4
159.07927	0.3
159.09137	0.2
159.11658	0.2
160.07550	1.8
160.11166	0.7
161.09557	0.4
162.09120	1.8
162.12689	0.2
163.07422	0.1
163.11125	0.4
164.07019	0.7
165.07845	0.8
166.08633	1.0
167.08459	0.2
170.11742	0.6
171.11314	0.4
172.11176	0.4
173.12920	0.5
174.09126	0.6
174.12743	0.6
175.11145	0.2
176.07022	0.2
176.14305	0.7
177.05481	0.3
177.12756	0.3
178.08607	0.8
178.12061	0.2
179.04839	0.6
183.14909	0.3
185.09346	0.2
185.13216	0.2
186.12573	0.2
187.14432	0.3
188.14331	0.3
190.08548	0.3
190.15903	1.2
192.10109	0.3
192.13855	0.4
192.17482	1.4
200.14223	0.4
201.12296	0.4
202.15871	2.3
203.10512	0.2
204.13800	0.5
204.17456	0.6
212.14363	0.3
214.15897	0.4
215.14034	0.2
218.15375	4.8
219.10074	0.2
220.16931	25.0
221.17271	0.5
222.14827	0.8
223.13272	0.2
224.13556	0.3
230.15338	2.4
232.16948	3.9
234.14833	0.5
234.18446	0.9
236.16429	5.0
238.17979	44.5
238.68225	0.9
239.18329	1.1
239.68492	0.2
240.13794	0.6
240.19344	0.3
242.15282	0.3
246.17760	0.7
246.67871	0.4
248.16420	4.1
250.08647	0.2
250.17987	7.1
252.19588	2.3
254.17505	0.2
255.10371	0.3
256.10773	0.5
256.19049	4.7
258.14874	3.4
260.16412	0.9
266.17542	0.2
268.19022	0.5
272.16074	0.3
276.15915	3.8
278.17511	1.6
286.17532	0.2
294.16971	6.4
296.18533	5.2
296.21149	0.1
314.19635	0.2
367.23318	0.2
402.17624	0.4
456.19028	0.4
487.35248	6.4
495.32529	0.2
513.33203	1.8
514.32245	0.2
531.34229	100.0
532.22687	0.4
532.34680	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	531.2926
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
50.29097	1.4
54.33230	1.4
57.07056	4.2
61.59555	1.5
67.05489	1.9
67.63915	1.3
69.85984	1.4
71.08604	3.0
78.65014	1.2
81.07043	3.2
85.10166	2.4
87.04437	2.7
89.06027	3.8
99.79880	1.3
133.08595	2.5
156.54630	1.5
157.08862	1.4
238.18088	1.6
256.26324	3.7
257.26712	4.5
314.27713	2.4
482.30420	1.5
531.29187	100.0
532.28992	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	530.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.3
56.05031	1.6
58.06592	0.7
60.04515	0.5
68.05034	0.5
70.06581	100.0
71.06916	0.7
72.08142	4.2
74.06058	3.1
76.02218	0.7
83.06080	1.0
84.04493	6.9
84.08140	3.4
85.02901	0.8
86.09695	4.0
87.05603	0.4
98.06053	0.6
101.07121	0.9
102.05502	1.8
110.07153	2.1
112.07589	98.8
113.07950	0.4
116.07090	0.7
120.08075	1.2
124.07512	0.4
129.10207	2.5
136.07567	1.0
139.08669	0.6
140.07047	64.0
144.06543	3.4
147.07684	0.4
148.06140	0.4
157.09703	18.4
162.02205	0.5
162.07607	4.9
167.08110	0.6
169.13365	0.5
173.26385	0.4
179.04805	0.9
184.06024	0.7
185.09203	0.4
189.08986	0.5
225.17030	1.1
226.11980	0.4
240.13408	6.2
245.11256	1.6
259.12851	0.8
263.12326	8.5
268.12875	22.3
269.13065	0.4
323.17099	1.4
324.15414	1.0
325.14935	1.3
341.18054	2.1
351.16586	3.3
352.14841	1.1
355.16055	0.6
369.17624	9.4
373.17120	1.0
377.69040	0.4
467.21271	0.7
494.22266	1.3
495.15222	0.4
495.20819	5.5
512.23492	17.3
521.26251	0.4
530.33673	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
56.04775	0.6
56.05028	6.9
57.03432	0.6
57.05788	0.6
58.06590	1.5
58.50893	0.4
58.99574	1.5
59.52555	0.4
60.04518	3.2
60.05639	3.6
60.94556	0.4
61.01143	2.6
62.86850	0.4
65.94713	0.4
68.05010	1.1
69.03425	1.4
69.07056	4.9
70.02946	1.0
70.06582	100.0
71.04980	0.8
71.06924	3.0
71.75179	0.4
71.75552	0.7
72.08146	33.5
73.08461	0.5
74.06071	29.0
76.02219	8.8
79.05491	0.9
80.05020	0.5
81.07069	0.8
83.06114	1.3
84.04497	9.7
84.08133	18.7
85.02897	1.0
85.08459	0.8
86.06069	0.7
86.09694	67.4
87.05562	2.7
87.10014	2.1
88.03991	1.9
91.05475	2.4
93.04504	0.5
93.07050	1.3
95.04959	0.4
95.06084	1.1
96.04440	0.5
96.08128	1.2
97.02885	0.7
97.07643	0.6
98.02385	0.7
98.06049	1.8
101.07119	4.5
102.05518	3.4
104.05320	2.7
104.07074	0.5
105.07026	0.7
107.04945	0.5
107.08570	0.6
108.08126	0.4
110.04269	0.5
110.07156	8.6
111.07559	0.6
111.09190	0.5
112.03934	0.6
112.08722	6.0
113.07128	1.5
113.55650	0.5
114.09153	13.0
114.10030	0.6
114.10324	0.8
115.05012	0.5
115.08675	4.7
115.44061	0.4
116.01660	2.2
116.07076	6.9
118.06866	6.8
119.04932	0.4
120.08092	9.2
121.06483	1.1
121.08450	1.2
122.07138	0.4
123.08109	0.5
124.11266	0.8
125.07147	0.5
126.05525	0.9
126.09103	0.6
127.03969	0.5
127.05054	0.9
127.08675	1.7
129.06636	1.6
129.10222	11.2
129.11226	0.5
130.05008	2.0
130.06554	1.8
130.08655	2.1
130.09769	1.4
130.10612	0.5
131.08545	1.7
132.08102	0.7
132.10173	0.8
133.06093	1.1
133.10043	0.6
136.07571	4.2
137.07002	0.8
137.07957	0.7
137.09671	0.4
138.09084	1.3
139.08693	0.7
140.07103	0.6
140.08205	1.3
141.06577	0.9
141.10233	1.7
142.03253	1.2
142.08617	3.4
142.12277	1.5
143.11760	4.7
144.01134	1.3
145.06088	0.8
147.04436	1.1
147.07651	1.7
147.11317	1.3
148.06070	0.7
149.06027	0.7
153.10175	0.7
155.08177	1.2
155.11771	1.1
156.07678	0.8
156.11302	3.8
157.06186	0.5
157.09737	2.2
157.10860	0.7
158.09242	5.1
159.07928	1.0
159.09225	3.5
162.02208	4.2
162.09070	0.5
163.03929	0.6
163.08971	0.7
166.08629	1.1
167.08131	0.8
169.09729	0.8
169.13353	2.8
170.05887	0.6
171.07690	0.8
171.11278	2.2
173.09311	0.8
173.12900	2.1
175.11885	12.0
177.09108	0.8
179.04823	7.9
180.10220	0.6
181.09793	1.7
183.11299	2.5
183.14890	4.4
185.09212	1.5
185.16493	0.9
186.09183	0.6
186.12399	0.7
187.07259	0.7
187.10905	0.7
187.14394	15.2
188.06985	0.6
189.08694	0.6
197.12885	2.3
199.10690	2.2
200.14023	2.0
201.10695	0.6
201.12265	2.3
203.10275	0.6
205.11972	0.6
208.09645	1.1
211.14282	2.4
213.08731	1.0
213.16093	0.6
215.12000	0.6
215.13954	2.5
217.08208	0.5
217.11888	1.8
220.17079	0.6
223.13394	0.6
223.15521	0.7
225.12325	3.3
225.17117	0.5
226.11806	1.1
226.15541	0.7
228.13531	1.4
229.15477	0.8
230.11427	2.6
231.11687	1.2
233.05940	1.6
238.18010	0.9
240.13303	0.6
243.13368	3.9
244.09468	0.5
245.11266	0.6
246.17935	0.8
254.17503	0.7
255.10597	0.8
259.13104	0.6
260.19742	0.7
271.17679	2.2
272.12524	0.5
272.16150	0.5
274.12225	1.2
284.19653	0.6
285.15884	0.8
288.20282	1.0
298.14517	0.6
298.17740	1.9
308.09055	3.1
310.21265	0.5
312.19193	0.9
314.66824	0.6
316.18881	0.6
323.12524	1.1
328.22272	0.5
338.21063	0.6
372.22333	1.8
373.19168	0.8
383.26547	0.6
400.93784	0.5
411.20850	0.5
411.26205	1.3
417.23917	0.6
430.69867	1.6
442.74673	0.9
443.25070	0.8
464.75766	1.5
465.26239	1.1
516.29700	1.8
521.27826	0.7
530.33057	96.3
530.79053	0.6
531.33392	0.9
536.76477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01847	1.1
55.05507	1.5
56.05001	1.2
57.03431	3.4
58.06569	0.4
59.04977	0.3
60.04498	1.5
61.02919	3.4
67.05486	2.0
68.05013	0.6
69.03416	14.5
69.07042	2.2
69.49735	3.1
70.06582	19.5
71.01313	0.8
71.04984	3.4
71.06903	0.8
71.41911	0.3
72.08141	4.1
73.02907	3.1
74.06050	0.9
79.05465	1.2
80.04985	0.6
81.02968	0.3
81.03404	4.4
81.07056	2.5
83.01326	0.4
83.04945	0.5
83.06084	0.5
83.57394	0.3
84.04499	1.9
84.08127	3.7
85.02890	16.0
85.06540	0.5
85.78896	0.3
86.06071	0.3
86.09695	12.2
87.04449	2.6
87.05569	1.1
87.10009	0.4
88.03964	0.4
89.06015	0.3
91.03922	0.9
91.05453	2.2
93.07011	1.2
94.06543	0.9
95.04948	0.4
95.08584	1.8
96.08117	1.1
97.02882	6.9
97.06472	0.5
99.04445	4.2
101.02371	0.5
101.07084	0.5
102.05521	1.1
103.03881	0.5
103.05483	0.5
104.05322	0.4
105.07001	0.9
107.07356	0.4
107.08572	0.9
108.08082	1.5
109.02848	1.9
109.06469	0.5
109.10162	0.5
110.07150	2.9
110.09623	0.4
113.05952	0.4
113.07097	0.4
115.03872	0.5
115.08659	0.4
116.07043	0.4
117.05474	0.9
117.06974	0.5
118.06516	0.8
119.04863	0.8
119.08562	1.0
120.08085	7.0
121.06526	0.5
121.08414	0.4
121.10129	0.7
121.92571	0.3
122.05997	0.3
122.09628	0.7
123.04285	0.4
123.08025	0.4
124.07504	0.4
124.11176	0.4
125.09531	0.4
126.05541	0.3
127.03899	3.7
127.08657	0.5
129.10219	2.4
130.04955	0.5
130.06488	0.7
131.08470	0.6
132.08086	0.3
133.10027	0.4
136.07549	4.7
137.05872	0.5
137.09613	0.5
138.09099	0.5
141.10176	0.4
141.12703	1.8
143.11784	0.5
145.04958	1.1
145.07582	3.7
145.10022	0.6
147.04422	0.5
147.07903	0.7
147.09138	13.1
153.05476	0.4
155.08165	0.6
155.14211	0.6
157.09740	0.7
159.07922	0.5
159.09166	5.9
160.09930	0.8
166.08536	0.5
173.07109	1.0
173.09299	0.3
173.10770	1.0
173.12856	1.4
175.08600	0.6
183.14958	0.5
185.09184	1.0
185.10728	2.7
186.08781	0.4
186.11537	0.3
187.08633	0.9
187.12276	0.6
189.10220	1.0
191.08127	75.4
192.08464	0.6
192.17555	0.4
197.10707	0.6
199.08698	0.8
199.12303	1.0
201.10153	1.1
201.12262	0.9
207.11266	0.6
213.10168	1.2
215.08311	0.4
215.11807	1.6
215.13751	0.5
216.07664	11.6
218.15320	0.4
220.16977	3.1
221.17290	0.8
222.18535	3.2
223.18866	0.5
225.10268	0.7
227.11874	0.6
229.13289	0.7
229.15430	0.5
230.18274	0.5
230.68573	0.4
230.92450	0.4
231.11412	0.5
233.09265	0.8
233.12807	0.5
237.02740	0.3
238.17972	6.5
238.68181	0.7
239.18752	20.9
239.68918	15.2
239.71376	0.7
240.19484	12.1
241.19926	3.3
243.11281	0.9
243.13524	0.5
245.09158	0.7
245.12935	0.8
245.15288	0.4
246.17822	0.4
253.09604	0.6
259.10654	0.6
263.13889	8.6
263.16211	0.4
271.10779	1.5
281.17361	0.6
282.58768	0.4
289.11789	5.5
295.13055	0.5
299.17300	0.4
307.12836	68.5
308.13159	1.2
313.15121	1.0
324.15518	0.8
329.11472	0.6
329.14996	0.9
349.13892	0.5
350.13419	75.1
351.10120	0.5
351.13693	1.1
420.58331	0.4
441.77451	0.8
443.13388	0.3
469.18643	1.5
477.36832	1.1
478.37506	0.5
493.36618	0.6
494.17773	1.0
511.18979	0.4
511.37170	1.0
512.18707	100.0
513.19141	3.1
529.26001	1.1
529.37451	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	528.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94556	1.7
53.44934	1.5
55.05498	3.3
57.06812	2.0
57.07067	26.9
57.07502	1.6
57.81064	1.5
59.04989	1.4
71.08623	32.2
71.78145	2.2
73.06538	8.9
83.08602	3.3
85.10175	25.8
87.04453	6.5
89.06019	100.0
91.07560	1.7
97.10141	1.9
99.11702	4.1
106.19790	1.4
106.67683	1.2
107.07059	5.0
117.09099	6.1
125.40306	1.7
130.08640	4.4
133.08580	47.3
141.16379	4.9
147.19728	1.4
161.11745	1.6
177.11206	23.9
185.18968	4.3
221.13808	4.9
226.21649	2.0
229.21564	12.8
239.14833	2.7
273.24265	6.9
283.17444	3.4
307.17361	1.6
312.95975	1.6
327.20154	5.0
353.79395	1.4
371.22702	7.6
511.38409	20.2
528.40918	4.4
529.27667	22.0
550.92468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29073	0.6
54.03452	0.9
54.30350	0.5
55.01869	0.7
55.05499	2.3
55.12627	0.5
56.05031	2.9
60.04516	3.8
62.08322	0.5
62.47942	0.6
67.05495	1.1
69.03414	1.0
69.07060	10.1
70.02951	3.4
70.06586	55.2
71.04978	1.1
71.06919	1.7
71.72012	0.9
72.08150	13.4
74.06077	2.5
79.05489	1.0
80.09077	0.6
81.04507	1.1
81.07044	0.9
82.02929	2.1
82.06579	1.1
83.06093	2.1
84.04497	6.3
84.08133	12.3
85.02895	1.9
86.09697	100.0
87.05582	5.0
87.10043	1.4
88.03996	2.3
91.05470	1.4
93.07015	1.0
95.06097	0.9
95.08603	1.0
96.08134	2.0
97.04018	4.0
97.06536	1.9
98.02412	3.7
98.06104	0.9
99.05577	1.4
101.07123	1.2
102.05544	2.3
103.05454	0.8
107.06071	0.8
107.08629	0.7
108.04485	1.1
109.04007	2.1
110.02404	1.4
110.06041	0.6
110.07150	5.0
110.09667	0.8
111.05531	0.7
112.08728	1.5
112.17371	0.5
113.07130	1.1
115.05077	0.9
115.08687	1.0
116.07097	0.8
119.04963	1.0
120.06554	0.5
120.08093	9.9
123.05586	1.0
124.03992	1.2
124.05064	4.8
125.03469	6.1
125.07111	0.9
126.05721	0.5
126.06656	2.8
127.05038	1.0
127.08673	1.4
129.10225	8.6
130.05040	1.1
130.06537	0.8
130.08627	0.6
130.10617	0.6
132.08101	0.7
132.10185	3.5
133.06100	1.8
135.01863	0.9
135.05505	1.1
136.03989	0.7
136.05063	1.6
136.07564	4.5
137.03424	1.0
138.09125	1.0
139.08687	0.6
141.02907	0.6
141.10233	1.9
142.06085	6.5
143.11777	1.8
144.06577	1.1
144.08038	0.7
146.06090	1.6
147.04417	0.6
147.07732	1.2
147.11433	0.5
150.06657	2.7
151.05045	1.6
152.04535	10.4
153.02870	1.2
155.11794	3.1
156.07657	0.6
157.13412	1.0
158.05670	0.6
159.09210	0.8
162.07637	0.9
164.04582	1.5
164.07133	0.9
166.08633	3.6
166.13406	0.6
167.11768	0.7
168.07739	0.8
169.07292	1.0
169.09691	1.4
169.13341	6.9
170.05618	4.2
171.11334	1.5
172.07535	0.8
173.13043	0.6
176.04593	0.7
178.06102	2.5
179.05771	3.6
181.09711	1.0
182.12834	0.7
183.11290	1.5
183.14943	1.7
185.12894	1.0
185.16536	0.6
187.10875	1.1
190.08682	1.3
192.11362	1.2
193.07303	1.0
193.09709	1.5
194.12881	0.8
194.19135	1.1
195.08791	1.2
195.11366	1.0
195.19354	0.7
196.07254	1.7
196.17014	2.4
197.06726	1.2
197.12842	4.5
197.17239	0.9
199.18176	0.6
200.13962	1.9
201.12375	1.0
204.04059	0.9
204.11411	0.7
205.09827	0.7
209.09235	0.9
210.12381	1.8
211.14519	1.5
215.14017	1.0
218.12914	1.6
220.10747	0.8
220.16905	0.8
221.06708	2.7
221.09082	0.8
221.17479	0.7
222.05144	0.8
222.12503	0.8
223.08177	0.8
226.11940	1.9
226.15361	0.8
227.10229	1.0
228.13449	0.8
232.10808	2.5
236.14027	1.0
237.13589	0.7
238.09378	3.0
238.11916	6.2
238.18057	1.8
239.07808	1.3
240.19662	0.8
245.11317	3.2
245.18587	3.4
246.10208	0.7
246.12283	3.2
247.11728	1.1
249.06219	2.7
249.13420	5.0
250.04706	0.7
255.14540	2.8
255.17155	1.6
256.19006	4.7
257.19351	3.3
260.10266	0.7
261.14545	0.7
263.15317	1.4
264.13370	0.9
266.08847	9.3
266.11438	7.9
267.07336	2.2
272.18542	1.5
273.18900	1.2
274.11923	2.7
277.12729	0.8
283.13986	8.0
284.09921	3.4
289.13046	1.3
291.14508	5.6
292.12817	1.1
296.96951	0.5
306.15656	1.3
308.17068	1.1
309.15466	2.7
316.18634	2.6
317.12424	1.6
319.13898	4.8
330.20242	0.7
334.15027	5.1
335.13577	1.7
336.16620	7.9
337.15149	1.2
345.12161	1.7
351.17859	6.8
351.21066	2.0
352.16202	2.6
358.19736	5.2
360.30719	0.6
362.14471	4.4
363.13068	1.7
366.13681	0.6
366.28802	1.0
369.18555	2.8
379.17191	28.6
380.15424	2.7
396.22327	1.0
397.21451	3.7
441.87305	0.7
493.24158	1.1
510.27231	1.0
527.37109	1.6
528.27985	1.7
528.37732	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	526.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	3.9
57.07068	85.9
59.04988	5.2
67.05481	3.1
69.07064	9.1
71.08624	80.8
71.32107	2.3
71.32449	3.9
73.06534	5.4
80.00433	1.7
83.08614	4.8
84.08096	1.8
85.10172	49.8
87.04477	8.7
89.06021	100.0
89.39069	1.8
91.05508	1.8
93.07041	2.3
95.08551	1.8
96.21910	2.1
97.10176	3.1
99.11700	9.8
103.03934	20.1
107.07049	4.1
107.08563	1.8
109.10152	2.3
111.11701	5.0
113.13247	7.0
117.09114	6.6
125.13235	2.8
127.14831	5.0
130.08580	2.6
131.07030	3.0
133.08592	63.7
147.06512	3.8
155.17912	3.0
163.47012	1.5
177.11229	28.6
184.07359	1.7
191.09119	3.0
213.22092	4.2
221.13765	7.2
227.23784	2.4
231.27235	2.0
239.14810	3.4
240.19614	2.5
256.26358	1.8
268.44229	1.8
269.15826	3.3
271.26282	5.7
278.73828	1.6
279.14352	3.4
283.17502	5.1
297.15344	9.6
315.28937	8.1
327.20093	30.2
465.38141	2.8
477.38022	4.1
485.32813	1.9
494.64786	2.0
509.40485	47.4
526.42285	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	525.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	1.1
53.04084	0.6
55.01800	0.9
55.05423	8.1
55.05712	1.6
56.01755	0.5
56.04948	3.5
56.05753	0.5
57.03369	1.1
57.05747	0.6
57.07008	0.9
58.06507	3.3
60.04437	1.0
61.01073	1.1
65.03861	0.6
67.05405	11.9
67.05803	1.5
69.03326	2.9
69.06969	7.0
69.07366	0.8
70.02877	0.8
70.06491	39.4
71.04884	1.7
71.06839	1.1
71.72509	0.9
72.08053	13.2
72.08478	1.3
73.02840	0.7
73.96391	0.5
74.06011	1.1
76.83096	0.5
79.05386	5.7
80.04919	1.5
81.03310	1.6
81.06950	20.3
81.07478	1.6
82.06472	11.1
82.07276	0.8
83.04880	2.0
83.08504	4.0
84.04482	2.7
84.08031	9.3
85.02798	4.8
85.06434	3.4
85.08376	0.5
86.09595	15.7
86.10168	0.9
87.00764	1.0
87.04353	0.5
87.05516	1.2
87.09966	0.7
88.03942	1.1
91.05466	6.5
93.05688	0.5
93.06934	8.2
93.07552	0.8
94.06549	3.0
95.04836	1.8
95.07261	0.7
95.08595	14.6
96.08111	4.0
96.87876	0.4
97.02786	2.0
97.06441	1.4
97.10044	2.4
98.02332	1.0
98.05946	0.5
98.09680	4.7
99.04345	0.8
99.07992	1.5
100.07496	2.3
100.11243	4.8
102.05431	1.3
103.05414	0.9
104.05286	2.4
105.01765	1.5
105.07021	4.1
106.06461	0.6
107.04861	1.2
107.07233	1.8
107.08578	6.7
108.04285	0.5
108.08109	4.4
109.02763	1.7
109.06396	1.4
109.10152	7.2
110.07148	3.9
110.09558	2.2
111.04332	1.6
111.07973	0.9
112.07533	0.6
112.08627	0.8
114.09050	0.5
116.07034	0.5
117.06990	0.9
119.04855	1.2
119.08569	2.9
120.08092	24.0
121.06425	0.8
121.08316	0.7
121.10126	4.6
122.09673	2.6
123.04341	1.5
123.07963	1.8
123.11670	3.1
124.11107	1.9
124.20572	0.5
125.09500	1.6
126.09039	0.7
127.03893	2.5
128.06966	1.4
129.06947	0.5
129.10225	3.7
130.04915	1.2
130.06487	5.2
131.04826	0.6
131.08420	2.2
132.07996	0.8
133.09995	1.5
134.09546	1.0
135.07903	1.4
135.11693	2.3
136.07462	2.1
136.11136	0.8
137.05899	0.5
137.09514	0.8
137.13203	0.8
138.09035	0.8
138.84094	0.6
140.06929	0.6
140.10602	0.7
141.12613	0.5
142.28429	0.5
143.08435	0.7
143.11665	0.6
145.04848	1.4
145.09993	1.7
146.09462	0.7
147.04329	2.2
147.11543	1.7
148.11063	0.8
149.13254	2.4
152.10567	0.7
157.09956	0.8
158.09532	0.6
159.02765	0.9
159.11589	0.7
161.09511	0.8
163.11040	0.9
163.14722	0.9
164.07042	0.6
165.12689	0.8
166.08592	1.0
170.11670	1.4
172.07460	2.3
174.12685	0.9
175.08670	3.9
176.14461	0.6
180.13814	0.5
182.15355	3.5
183.14864	0.8
187.07297	0.7
187.14642	0.9
190.15852	0.6
192.13765	0.8
192.17381	0.9
194.15335	0.5
199.10730	0.5
200.07072	0.7
201.12247	0.8
202.15779	1.0
205.15784	0.6
205.19449	1.3
208.16901	1.1
209.16389	1.3
210.14836	2.8
211.14354	0.8
213.18326	0.8
217.09657	2.2
217.13304	0.8
218.15440	2.7
219.09830	0.6
220.14862	1.0
220.16927	15.4
221.17223	1.2
222.18513	20.6
223.20526	1.3
224.16437	0.6
226.17950	2.3
227.17393	0.7
228.15933	0.5
233.00293	0.5
234.12354	6.2
235.10844	2.4
236.16417	3.3
238.17986	33.0
238.68108	1.9
239.18648	5.9
239.68884	1.5
240.19563	10.6
241.19647	0.9
241.21635	1.9
245.08957	0.5
246.17809	0.8
247.07501	1.1
251.15057	0.8
252.19582	1.2
254.17056	2.8
254.17754	2.9
254.21121	100.0
255.21411	1.5
256.14548	0.7
256.19012	3.8
259.22702	1.0
262.11902	5.5
263.10217	2.1
263.14175	0.8
265.15488	2.0
270.17126	0.7
272.18539	20.6
273.18765	0.6
279.17157	0.7
291.26712	1.8
309.27750	1.7
310.70590	0.6
314.21030	0.7
319.71118	8.3
320.21378	3.8
320.71506	0.5
327.28870	1.4
335.09384	1.0
361.18634	6.7
408.27414	0.9
416.07382	0.5
426.34460	0.5
444.83521	1.0
453.34750	1.1
453.84598	0.6
458.22263	1.0
459.22549	1.1
475.35449	1.2
477.36829	0.7
489.33029	5.9
507.34244	20.8
508.34949	0.9
516.88416	1.7
517.38495	0.7
525.23218	9.3
525.39258	87.0
525.75793	1.0
526.23553	2.6
526.39850	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	525.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01842	2.3
55.05504	21.8
56.05027	2.4
57.03416	3.6
57.07059	7.5
58.06594	3.0
59.99313	2.0
60.46486	2.1
65.05414	2.0
66.62302	1.7
67.05164	3.1
67.05494	34.2
68.05006	3.0
69.03414	8.2
69.07054	29.2
70.06586	52.5
71.04975	5.4
71.05755	5.9
72.08127	7.9
79.05499	15.5
81.03410	4.5
81.07046	82.4
82.06173	2.4
82.06572	24.0
83.04964	4.4
83.08604	14.3
83.27979	1.8
84.04467	6.8
84.08119	10.3
85.02885	14.0
85.06532	68.6
86.09694	16.3
91.05474	12.3
91.05918	2.0
93.07034	31.9
94.06535	7.4
95.04938	3.6
95.08593	60.5
96.08101	7.3
97.02895	4.7
97.06516	4.0
97.10159	10.3
99.04428	2.6
99.08099	9.7
100.07598	5.0
100.11225	5.9
102.05529	2.7
105.07040	12.2
107.07396	3.0
107.08570	31.9
108.08113	10.7
109.02834	4.0
109.06453	2.9
109.09459	3.2
109.10142	44.7
110.07147	5.7
110.09652	3.5
111.04419	2.4
111.08041	6.1
111.11681	6.9
117.06948	3.0
118.30653	1.9
119.08574	9.8
119.09292	2.0
120.08099	14.5
121.10136	19.9
122.09618	6.6
123.08034	2.6
123.11688	34.0
124.11204	5.4
125.09613	13.9
127.03903	4.3
129.07047	2.9
129.10245	3.3
130.06543	1.8
131.08505	3.1
133.10112	6.9
134.09633	2.4
135.04388	1.9
135.11682	15.4
136.07547	4.4
137.05951	4.3
137.13251	18.3
139.11099	3.1
141.12712	4.5
145.10103	3.3
147.04399	2.6
147.11655	6.6
149.09541	2.3
149.13237	20.7
151.07536	2.3
151.14792	4.7
153.12750	4.5
159.11668	2.8
161.09668	2.4
161.13237	5.1
163.14836	10.4
167.14388	2.9
169.09782	1.9
171.13802	3.0
171.62779	1.9
173.13066	2.5
175.14694	2.5
177.16383	8.3
182.15372	2.4
189.16307	2.9
191.17918	4.0
202.15883	2.8
205.19427	3.0
210.14819	4.4
213.18495	9.5
217.19533	4.8
218.15340	2.6
220.16957	42.4
221.17235	4.0
222.18642	9.6
223.20636	3.0
236.16324	3.0
238.17984	100.0
238.68138	7.0
239.18707	11.9
240.19640	16.5
246.17754	4.4
247.18341	2.3
254.21104	13.3
256.19055	8.7
263.13882	5.4
270.16788	2.3
272.18497	4.0
273.25668	6.2
279.26840	14.6
291.26840	36.9
297.27887	11.8
307.84833	1.8
309.27863	42.7
327.28836	32.0
345.29834	8.6
391.20377	2.1
405.44888	2.0
449.21326	4.2
449.70599	4.2
458.21664	7.4
458.71982	3.1
459.22064	4.0
464.03470	2.5
489.33218	13.8
507.34164	58.9
525.22314	7.8
525.34692	34.9
525.87408	2.1
526.23706	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	525.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
56.05038	1.3
58.06589	2.1
67.05494	4.9
68.04981	0.6
69.03406	0.6
69.07055	1.8
70.06582	11.0
71.04996	0.6
71.76709	1.0
79.05476	2.8
81.07045	7.9
82.06564	1.9
83.08631	0.9
84.04500	3.1
84.08130	1.9
86.09721	1.0
91.05479	1.7
93.07024	2.9
95.04961	1.5
95.08601	4.7
96.08121	5.5
97.06503	0.7
97.08915	5.2
97.10144	0.7
98.09689	1.5
101.07175	0.6
105.07011	1.3
107.08578	1.8
108.08059	0.6
109.06499	0.9
109.10140	1.6
110.09671	7.1
111.08045	0.7
114.09188	0.7
116.63254	0.6
119.08590	1.4
121.10128	2.0
124.11208	1.1
130.04996	3.2
131.08537	0.9
138.12735	1.6
145.10098	1.0
147.07645	5.3
152.14316	1.0
154.12308	0.9
163.11162	0.5
194.19080	0.8
195.19836	2.2
202.62744	0.5
220.16982	0.8
222.18506	32.0
225.12973	0.5
238.18004	0.6
240.19548	11.2
254.21359	1.1
266.21182	1.7
272.18735	0.6
288.96127	0.6
321.12048	0.7
340.63083	0.5
350.27023	0.9
352.24716	2.5
460.34213	2.0
478.35245	37.0
500.45477	0.6
518.42255	0.5
525.35297	100.0
526.35632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17906	0.6
55.05496	1.7
57.07057	2.5
67.05479	2.1
69.07050	1.3
69.77299	0.5
70.06553	0.9
71.08612	2.5
71.67085	1.1
75.22388	0.5
79.05475	1.6
81.07044	3.8
83.08614	0.8
85.06543	1.0
85.68757	0.5
86.09681	1.4
91.05467	1.3
93.07019	2.1
95.08591	3.1
99.08078	1.7
105.07021	1.1
107.08575	1.8
109.06496	8.9
109.10114	1.5
119.08547	1.1
121.10135	1.4
123.08061	11.3
123.11721	0.6
127.00404	0.6
133.10123	1.2
135.08022	1.3
147.11641	0.7
165.12799	1.1
167.14337	0.8
171.85394	0.6
179.14291	79.4
184.07309	1.0
185.07643	1.1
186.07735	1.4
187.08029	0.7
193.15817	1.7
233.19194	0.6
238.18225	0.7
254.21214	1.5
289.25146	0.7
297.36810	0.6
331.26196	3.5
349.27341	100.0
350.27570	1.4
365.87164	0.5
453.57455	0.7
507.29562	2.2
525.38751	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	525.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11016	0.5
55.01854	0.8
55.05279	0.6
55.05503	5.8
56.05018	1.1
57.03420	1.6
57.07064	0.9
58.06580	2.1
67.05495	5.0
69.03408	1.5
69.06744	0.7
69.07061	5.4
70.00111	0.5
70.06583	16.9
71.04974	0.8
72.08138	2.0
79.05476	3.8
81.03415	0.8
81.07043	11.3
82.06566	4.4
83.04958	0.7
83.08604	2.9
84.04500	1.4
84.08147	2.6
85.02896	1.7
85.06526	4.5
86.09718	3.5
91.05468	2.1
91.86469	0.5
93.07032	4.3
94.06564	4.7
95.08598	8.8
96.08103	2.5
97.06542	0.7
97.10136	2.4
98.06042	12.2
98.09681	1.0
99.04441	2.3
99.08089	0.9
104.07107	0.9
105.07023	2.5
106.06532	0.6
107.04898	0.7
107.07354	0.8
107.08595	4.4
108.08112	1.8
109.08923	0.8
109.10138	4.0
110.09660	1.2
111.08046	0.8
111.11667	0.7
112.75967	0.5
116.07076	11.7
117.05459	2.3
119.08572	1.3
119.78087	0.6
120.08086	2.2
121.08337	0.6
121.10131	2.3
122.09643	3.0
123.08047	0.5
123.11721	3.1
124.11233	1.3
125.09597	1.4
127.03925	0.9
129.10262	1.1
131.08536	0.6
133.10139	0.7
134.08112	1.1
135.11684	1.7
137.13226	1.1
140.10643	0.9
145.10114	1.1
147.11649	0.9
149.13235	1.5
151.14847	0.7
161.13234	0.8
163.14792	0.9
170.11789	2.9
171.13815	0.6
178.15881	8.9
191.18069	0.5
194.19096	0.8
204.13857	1.9
208.13374	0.6
217.19453	0.7
218.15207	0.8
220.16937	5.3
222.14890	2.7
222.18497	29.6
236.16600	0.8
238.03128	0.5
238.17973	13.9
238.68158	1.5
239.18718	2.2
240.19550	47.6
241.19807	0.7
248.16383	1.3
254.17493	0.8
254.21149	1.0
256.19031	1.0
258.20703	1.0
268.15402	2.6
273.25430	0.7
279.26666	1.0
286.16415	11.8
291.26852	2.0
293.25635	0.7
297.27737	1.3
309.27850	3.0
327.28897	1.1
337.24780	0.9
345.30045	1.0
363.26471	0.8
388.68448	0.5
408.10486	0.7
466.31638	0.5
481.36234	1.5
489.33243	1.8
507.34018	7.3
525.35260	100.0
526.35925	2.5
547.27344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05495	4.7
56.04995	1.6
57.07060	2.7
60.57858	1.4
67.05483	9.0
69.03412	7.7
69.07047	7.8
70.06575	7.1
71.04963	2.4
72.08132	2.0
75.71755	1.4
79.05472	11.0
81.03395	3.7
81.07040	19.1
81.32156	1.5
83.04976	8.3
83.08590	4.4
84.08122	3.0
85.02879	6.6
85.06522	4.4
86.09690	4.7
87.00827	2.2
89.61541	1.5
91.05460	7.1
92.99408	1.4
93.07034	18.8
95.04951	2.5
95.08596	9.9
97.02882	3.1
97.06499	1.9
97.10157	2.2
99.04441	2.6
99.08067	1.5
105.07001	13.3
107.04967	3.6
107.08556	15.3
109.02856	3.0
109.06483	4.0
109.10147	15.2
110.07191	1.9
111.08022	3.2
112.63252	1.5
113.09619	6.1
119.08560	16.6
120.08097	3.7
120.35243	1.8
121.06497	4.4
121.10132	21.3
123.08066	4.8
123.11679	6.8
125.05936	1.5
125.09637	2.4
127.03890	5.3
128.04268	1.7
131.08537	3.2
133.10101	35.7
135.08055	2.9
135.11642	7.7
137.09587	21.2
139.11139	3.7
143.08542	2.2
145.10074	4.9
147.08009	3.0
147.11659	7.0
149.09525	2.9
149.13264	4.1
151.11168	10.0
157.10049	2.6
159.11639	4.8
161.09613	6.5
161.13226	5.1
165.12648	2.3
173.13300	2.3
175.11203	4.0
175.14774	17.8
179.14282	1.6
185.13202	4.0
189.12743	1.9
189.16316	2.6
193.15906	1.6
199.14903	1.7
201.16388	3.7
203.14308	4.5
212.68098	1.5
217.15813	3.7
229.34654	1.7
238.17961	2.4
241.19553	2.5
254.21118	4.5
256.95099	1.5
259.20523	32.2
272.18921	1.5
277.21582	100.0
489.24765	1.7
507.26239	2.2
525.35748	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	524.3706
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05503	0.5
56.05029	1.3
57.03429	0.4
57.07071	2.8
58.06562	1.2
59.07405	0.2
60.08154	17.2
67.05486	0.6
69.07054	0.7
69.61060	0.2
69.61461	1.7
71.07364	6.2
71.08620	1.8
81.07037	0.9
83.08610	0.5
85.10181	1.2
86.09693	49.7
95.08589	0.9
97.10150	0.3
98.20769	0.4
98.98463	2.8
102.74281	0.2
104.10728	98.4
109.10132	0.5
124.99986	27.9
129.96510	0.2
143.01016	0.3
150.58745	0.2
163.01552	0.6
181.02660	0.3
184.07315	100.0
227.72295	0.2
258.11084	0.9
287.97336	0.2
299.67041	0.2
341.30435	1.6
447.28793	0.3
506.36011	9.5
507.36816	0.3
524.37067	44.3
525.37390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01860	4.9
55.05502	11.1
57.03426	4.3
57.07071	8.1
57.28464	1.0
58.06600	1.4
59.04998	2.5
61.02905	3.0
65.03921	2.1
67.05492	23.0
68.99770	1.8
69.03068	1.8
69.03420	30.4
69.07056	15.5
70.06576	16.1
71.04995	5.7
71.75661	1.3
72.08150	4.3
73.02893	4.9
74.06071	1.1
79.05480	7.2
81.02962	1.9
81.03406	20.6
81.07043	29.4
83.04977	5.8
83.08596	7.4
84.04492	2.1
84.08129	4.2
85.02410	2.0
85.02892	25.2
85.06531	72.4
86.09709	9.0
87.00814	10.4
91.03967	1.4
91.05465	9.7
93.07034	16.0
95.04967	5.2
95.08597	32.0
96.08097	2.0
97.02882	11.4
97.06519	3.5
97.10143	2.6
99.04440	8.0
99.08077	81.2
103.05435	2.0
105.01847	6.7
105.07018	21.2
107.04967	1.5
107.08575	18.0
108.08142	1.2
109.02863	17.5
109.06506	9.0
109.10139	23.3
110.07124	2.4
111.08076	4.3
111.11703	4.5
113.09626	1.1
117.01792	2.4
117.07001	3.0
119.08562	26.8
120.08092	9.2
121.06482	2.3
121.10120	28.3
123.08041	7.2
123.11684	13.0
125.05991	4.0
125.09605	13.8
127.03897	25.7
127.11168	2.0
129.01820	2.4
129.06992	1.3
129.10219	1.3
131.08540	4.9
133.10121	17.4
135.08049	3.0
135.11671	7.8
137.09616	6.2
137.13239	5.6
139.11139	5.8
142.07751	1.5
143.08524	4.8
145.04912	5.8
145.10085	11.0
147.08003	3.0
147.11670	27.9
149.09608	2.1
149.13246	8.7
151.11165	3.5
151.14810	1.1
153.12755	1.9
155.08577	1.2
156.09315	1.5
157.10100	8.2
159.02866	7.8
159.11667	10.5
161.09593	3.5
161.13257	7.4
163.11195	1.6
165.09111	1.8
165.12726	16.2
165.16354	1.1
169.10143	1.3
171.11639	8.3
173.09612	1.4
173.13243	4.7
175.11211	3.5
175.14789	5.1
177.12758	2.8
179.14259	9.4
183.11627	1.3
185.13206	10.8
189.12752	3.8
190.13504	1.3
191.14404	2.0
199.14790	10.7
201.16382	15.1
203.14311	6.2
205.19508	3.2
213.16331	1.8
215.17972	2.1
217.15814	3.2
220.16960	4.6
221.15331	1.3
222.18515	6.1
223.20592	7.6
231.05016	2.9
236.16443	1.3
238.17931	7.4
239.18828	2.9
239.68887	1.5
240.19521	18.7
241.19501	8.1
241.21646	10.7
254.17667	1.1
254.21144	3.2
259.20538	100.0
260.20834	1.8
261.22046	1.7
269.91916	1.0
272.18506	1.9
277.18536	1.6
277.21567	11.3
279.26703	1.4
291.26733	2.5
309.27786	8.3
322.14664	1.0
335.09457	3.6
393.18649	1.1
406.00494	1.2
507.25943	1.4
507.33603	1.6
525.22717	21.6
525.26904	26.6
525.35510	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	523.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01847	0.9
55.05501	4.8
56.05011	1.5
57.03426	1.5
58.06578	0.8
60.04495	0.4
66.50981	0.3
67.05500	3.9
68.05006	0.9
69.03426	1.6
69.07058	5.7
70.06581	14.5
70.19064	1.6
71.04968	1.1
71.06911	0.6
72.08141	2.4
73.02896	0.4
74.06052	0.8
75.68331	0.3
77.03890	0.3
79.05479	4.6
80.05001	2.1
81.03392	1.2
81.05784	0.5
81.07041	6.3
82.06577	2.7
83.04956	1.0
83.08596	1.8
84.04492	2.1
84.08141	3.5
85.02887	1.9
85.06509	1.4
86.09206	0.6
86.09693	8.5
87.00793	0.4
87.05580	0.5
91.05451	3.1
93.05788	0.5
93.07027	4.6
94.06552	3.6
95.04942	1.4
95.08600	2.7
96.08118	4.5
97.02861	1.0
97.10150	2.5
98.06039	12.3
98.09633	0.6
99.04448	1.5
99.08061	0.6
101.07100	0.5
102.05506	0.7
104.05302	0.5
105.07027	2.8
106.06538	0.6
107.04887	0.6
107.07346	3.8
107.08547	3.8
108.08112	6.4
109.02850	0.9
109.06464	0.7
109.08882	0.7
109.10133	2.3
110.06019	2.0
110.07143	1.0
110.09696	1.6
111.08044	0.4
112.07578	0.3
113.07090	0.4
115.08617	0.3
116.07075	11.2
117.05463	1.5
117.06978	0.9
118.06524	0.3
119.04910	0.8
119.08557	2.3
120.08089	7.0
121.06458	0.5
121.08362	0.6
121.10133	1.5
122.09641	5.3
123.08021	1.1
123.10405	0.8
123.11672	0.7
124.11226	2.4
125.09602	1.9
127.03878	1.2
127.08679	0.5
129.06921	0.4
129.10217	1.6
130.04906	0.4
130.06519	0.4
131.08534	1.3
132.08080	0.7
133.10071	1.7
134.08113	1.7
134.09616	1.3
135.08061	0.5
135.10387	0.4
135.11636	0.9
136.07567	1.8
136.11191	0.8
137.05920	1.0
137.09601	0.6
137.13225	0.6
138.05482	0.9
138.09108	0.5
139.11081	0.5
141.10153	0.4
143.08566	0.6
145.10112	2.2
147.04393	0.6
147.07846	0.3
147.11604	0.7
148.11137	0.5
149.09634	0.5
151.11157	0.6
152.07057	0.7
157.10124	0.7
159.09196	0.4
159.11647	0.7
160.11177	0.3
161.09538	0.4
163.11118	0.7
166.08553	0.4
170.11734	2.5
173.09462	0.4
174.12714	0.4
175.14752	0.4
176.14328	0.4
177.05473	0.5
185.13165	0.6
187.11046	0.4
190.15916	0.7
192.13846	0.6
192.17442	1.5
201.12489	0.5
202.15898	1.8
203.10243	0.4
208.13326	0.5
218.15340	2.0
219.18649	0.3
220.16934	39.8
221.12935	0.4
221.15334	0.4
221.17346	0.9
222.18538	1.6
229.15434	0.7
230.18143	0.5
236.16423	1.2
238.17984	48.5
238.68307	0.6
239.18523	3.9
239.68961	2.7
240.19545	4.6
241.19907	0.9
246.68184	0.4
247.18489	0.4
252.19553	2.6
254.17517	0.9
256.19080	4.3
257.13092	0.5
268.15332	1.2
272.18573	0.9
275.13861	4.3
286.16409	5.5
287.12952	0.4
289.25092	0.5
291.24274	1.1
295.26367	0.4
307.26157	1.4
310.50702	0.3
325.27274	0.4
335.23157	0.8
368.56570	0.3
408.27554	1.0
461.33939	0.5
475.35889	0.4
477.36844	0.4
479.34888	5.4
505.32739	1.4
523.33661	100.0
524.34070	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	522.3551
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.45248	0.2
55.05508	1.6
56.05023	1.2
56.29361	0.2
57.03419	0.5
57.07071	1.3
58.06569	1.5
60.08155	17.7
67.05482	1.1
68.62674	0.2
69.07059	2.3
69.78934	1.8
70.06599	0.4
71.07362	6.5
71.07971	0.3
71.08614	0.6
73.23063	0.3
79.05453	0.5
81.07066	1.4
83.08607	1.3
85.10180	0.6
86.09693	52.3
89.06013	0.8
93.07012	0.7
95.08570	1.3
97.10158	0.7
98.98448	3.6
104.10729	100.0
105.11038	0.6
109.10129	0.5
110.49444	0.3
121.10158	0.5
124.99988	29.3
133.08600	0.7
135.11690	0.3
135.62498	0.3
143.01016	0.4
143.19589	0.3
163.01532	0.9
181.02574	0.5
184.07317	97.9
185.07617	0.8
258.10941	0.7
318.57962	0.2
339.28937	1.2
504.34473	8.7
522.35504	40.1
523.35950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
56.05017	0.6
57.03422	0.2
57.04024	0.1
57.07053	0.3
58.06620	0.4
59.07390	0.1
60.08153	5.9
67.05481	0.2
67.95773	0.1
69.07050	0.5
69.66468	0.5
70.06580	0.1
70.45033	0.1
71.07362	2.7
71.08606	0.1
71.84964	0.1
72.52834	0.1
79.05482	0.2
80.97399	0.1
81.07038	0.2
83.08607	0.3
86.09692	29.6
87.10006	0.1
93.07030	0.1
95.08598	0.2
97.06532	0.1
97.10136	0.1
98.20729	0.1
98.98449	2.6
104.10728	2.8
107.08591	0.1
109.10110	0.1
124.99982	20.6
126.00335	0.1
135.11684	0.1
143.01028	0.3
163.01447	0.1
166.02643	0.1
184.07310	100.0
185.07661	0.5
257.16388	0.1
258.11014	0.1
339.28882	0.2
348.56018	0.1
477.23660	0.1
504.34442	1.2
522.35461	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	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
55.01868	2.9
55.05503	12.9
56.05025	2.0
57.03422	3.9
57.07056	3.9
58.06581	2.5
65.03944	2.0
67.05500	13.8
69.03407	10.4
69.07066	21.7
69.30709	13.1
69.31135	9.2
70.06580	48.2
71.04974	12.5
72.08138	10.1
73.02903	2.7
74.06062	2.5
74.62268	2.4
79.05477	18.2
81.03412	7.4
81.07047	79.0
82.06577	2.4
82.07371	4.4
83.04962	7.7
83.08603	7.3
84.04502	5.6
84.08135	10.2
85.02889	22.1
85.06525	4.3
86.09696	36.2
87.00832	6.1
87.05637	2.2
89.06013	3.1
91.05461	16.0
93.07032	31.7
94.07377	2.3
95.04979	5.4
95.08588	39.4
96.08126	2.9
97.02910	10.3
97.06521	5.7
97.10144	4.0
99.04449	6.8
99.08068	3.9
101.02372	4.8
102.05537	2.6
105.01862	7.4
105.07018	52.7
107.04973	2.9
107.08569	36.1
108.08118	5.4
109.02881	5.6
109.06548	4.7
109.10144	36.4
110.07162	7.8
111.04421	26.4
111.11688	3.6
113.09646	2.9
117.06986	4.6
119.08564	100.0
120.08095	25.6
120.08896	3.0
121.06464	2.4
121.08446	3.5
121.10113	15.0
122.09649	2.2
123.04424	2.5
123.08035	3.9
123.11687	16.3
125.09635	3.3
127.03865	9.3
127.11171	32.9
127.76302	1.9
129.05484	7.7
129.10237	3.3
130.06497	2.5
131.04898	2.2
131.08542	3.9
132.08078	4.4
133.10118	29.2
135.11671	57.0
136.07526	4.1
137.09584	3.9
137.13246	2.7
138.09122	2.9
139.07396	1.9
139.11198	2.4
143.10623	4.7
145.05020	2.6
145.10100	7.2
147.08031	2.7
147.11667	23.8
149.09558	2.9
149.13254	7.6
151.11163	2.6
155.14380	2.4
159.11705	2.7
161.09628	4.5
161.13228	20.4
165.12735	3.5
167.64511	1.9
167.65945	1.8
173.13171	3.4
175.14867	5.7
177.05348	1.9
187.08600	2.4
203.14465	2.8
203.16043	2.9
203.17929	58.0
205.09859	2.7
220.16870	11.3
221.15631	9.1
221.18973	61.8
222.18491	4.4
231.05022	3.6
238.17992	22.4
239.16405	40.5
239.18727	13.6
239.69048	4.4
240.19495	14.3
241.19931	4.2
244.07240	2.5
244.10893	3.2
254.17323	2.5
257.17371	10.4
279.17087	2.1
297.12018	1.9
307.26120	4.5
344.53473	2.0
382.03552	2.3
383.02786	2.3
438.92538	2.2
485.68463	2.5
521.85858	4.4
522.38184	9.7
522.86676	3.1
546.11420	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	521.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68924	0.2
51.02379	0.5
53.03931	0.5
55.05497	0.3
56.05029	0.6
57.04783	0.2
60.04517	0.2
70.06583	4.0
71.04931	0.3
71.05262	0.5
72.08148	1.2
73.02911	0.3
74.06077	0.3
77.03925	0.3
79.05491	0.8
83.06073	0.3
84.04494	1.2
84.08140	1.6
85.02896	1.0
86.09690	2.5
91.05468	1.0
95.04975	1.4
97.02860	0.4
101.07092	0.2
102.04607	0.4
102.05533	0.6
103.05457	52.2
105.07021	4.5
107.04938	0.4
107.91798	0.3
110.07156	0.8
115.05455	1.1
117.07008	0.3
118.04181	0.2
119.04939	1.1
120.08102	0.9
129.10197	1.4
131.04915	100.0
132.05229	0.6
133.06490	4.2
136.07544	0.6
137.05972	4.3
143.06009	0.5
147.04378	1.4
147.07716	0.3
159.07965	0.5
161.04611	0.6
161.05966	12.5
163.07529	31.2
164.07935	0.5
173.12868	0.3
175.07524	1.0
179.07031	0.9
187.07568	1.4
205.58696	0.2
217.08502	0.4
251.10770	0.3
279.10297	0.5
291.10040	0.4
311.12805	1.3
323.12756	0.4
355.38449	0.3
521.78961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15740	0.4
56.05027	0.5
69.52723	4.2
70.06582	4.5
71.04980	0.5
71.88498	0.6
72.08124	1.4
84.04475	1.6
84.08120	1.8
85.02860	1.0
86.09686	3.3
87.05571	0.9
88.57856	0.5
91.05827	1.2
92.05784	0.5
97.02863	0.7
102.05503	0.6
103.05431	1.5
104.05312	0.7
110.07142	1.1
115.05440	0.6
117.05656	0.6
117.07005	0.8
118.06507	16.1
120.08112	1.3
129.06606	0.8
129.10197	2.2
130.06500	1.5
131.04901	2.6
132.08078	3.9
136.07599	1.0
137.05893	0.8
142.06508	1.8
143.07249	1.6
144.08061	10.1
146.05983	56.9
159.09151	6.7
160.07477	0.7
161.05942	0.6
163.03882	2.0
163.07524	1.0
167.05527	0.9
167.56567	0.5
169.39218	0.5
170.05986	5.2
188.07030	100.0
205.09688	49.9
231.46819	0.6
272.18433	0.7
301.05875	1.2
352.66214	0.6
401.25076	0.7
505.88516	0.6
521.24359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05256	0.8
55.05506	12.7
57.03185	0.5
57.03432	6.8
57.07061	1.4
60.04505	1.0
60.08157	0.5
61.00227	0.3
65.03922	0.9
67.05497	26.3
69.07059	14.0
71.04974	0.5
71.08608	0.6
71.27894	0.6
79.05041	0.6
79.05480	6.5
81.07048	25.3
83.04951	1.1
83.08115	0.6
83.08607	7.4
85.06522	0.6
86.09694	3.1
87.10048	0.7
88.03984	6.1
89.84305	0.3
91.05473	4.4
93.07037	6.5
95.04948	0.8
95.08598	19.3
97.06509	1.6
97.10168	3.4
98.98445	4.1
99.08067	0.5
105.07026	2.7
106.05020	1.4
107.08061	0.4
107.08597	3.9
109.10145	7.4
111.08041	1.0
119.08572	2.8
121.10118	2.6
123.08042	0.7
123.11689	2.9
124.99989	1.8
125.09668	0.6
133.10138	2.4
135.11656	1.3
136.97548	0.4
137.09570	0.4
137.13222	0.5
142.48822	0.4
147.11685	1.7
149.13277	1.1
155.01083	0.9
161.13205	0.5
163.14778	0.6
173.02075	1.0
175.14751	0.5
184.07355	6.3
185.07646	2.4
186.07817	1.8
245.22636	0.6
252.66859	0.4
260.05219	0.6
263.23730	1.6
337.27332	100.0
338.27750	2.6
350.26816	2.5
461.20227	0.8
522.26025	0.7
522.34589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66886	0.1
55.05482	0.2
56.05027	0.4
58.06605	0.4
59.07379	0.2
60.07846	0.3
60.08151	5.6
67.05476	0.5
69.49210	1.6
69.49543	0.3
71.07360	2.5
74.59081	0.2
74.94182	0.2
81.07047	0.6
83.08611	0.2
86.09692	27.5
87.10029	0.2
95.08606	0.4
98.98438	2.2
104.10727	2.8
107.26411	0.2
124.99980	18.9
147.07953	0.2
152.34830	0.2
155.33588	0.2
184.07309	100.0
185.07658	0.5
296.92621	0.2
502.26096	0.2
502.33044	1.3
520.33954	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	520.3388
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05492	1.5
56.05023	1.0
58.06595	1.2
60.08152	16.2
67.05496	2.7
69.07055	1.4
69.94777	1.7
69.95188	0.8
71.07362	5.2
79.05478	0.8
81.07040	2.9
86.09690	45.0
93.07030	0.5
95.08582	2.0
98.21385	0.6
98.98451	3.7
104.10722	100.0
114.80035	0.4
121.10132	0.5
124.99979	26.4
150.04683	0.5
184.07306	92.8
204.93889	0.4
209.37318	0.4
258.11087	0.9
337.27362	0.5
419.71896	0.4
473.69318	0.5
502.32745	9.4
511.00662	0.5
520.33868	41.6
521.34436	1.0
544.15082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
56.05033	0.7
67.05513	0.5
69.07051	1.4
69.23864	0.4
69.65762	0.8
69.66177	3.0
70.06579	6.6
72.08143	1.2
74.06037	0.4
75.80412	0.4
81.07039	1.5
84.04489	14.1
84.08128	1.1
85.02885	0.7
86.09692	82.2
87.10031	0.9
89.64607	0.4
91.05460	1.0
93.07030	1.7
94.06591	0.4
95.08591	1.0
96.08110	0.6
97.06498	0.4
101.07130	3.0
102.05533	0.6
103.05443	1.9
105.07019	0.7
107.08617	0.7
108.08125	0.6
109.06498	0.5
110.07158	1.0
110.09664	0.9
116.10663	0.5
119.08562	0.4
120.08086	100.0
121.08422	0.5
122.09640	0.6
123.08076	0.5
127.03896	0.5
129.10214	1.1
130.04985	33.1
131.11781	1.2
133.10091	2.8
136.07518	0.5
137.18828	0.3
145.10106	0.4
147.07623	49.3
173.13023	0.4
191.07040	0.6
199.18025	1.5
220.16907	1.5
222.18478	1.7
226.10574	0.6
227.17480	0.7
233.16449	26.0
238.18019	2.0
239.18797	2.2
239.68991	0.8
240.19557	10.8
240.69821	1.9
241.19803	1.3
242.14937	1.0
243.13414	3.5
260.16028	52.0
261.15961	38.7
262.16122	0.5
311.07840	0.4
329.22284	1.6
332.19595	0.4
355.55753	0.5
360.13818	0.4
373.24194	1.9
374.24341	10.7
479.38004	0.6
520.25452	0.8
520.31470	6.7
520.38379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01863	5.6
55.05502	20.1
56.05019	7.8
57.03419	4.6
57.07064	5.0
61.02919	3.1
65.03963	2.9
67.05492	22.8
69.03426	21.7
69.07059	18.0
70.06580	80.7
71.03161	2.7
71.03490	5.5
71.04983	13.2
71.06905	3.3
72.08144	24.5
73.02889	6.4
73.29226	2.2
74.06065	19.0
79.05477	21.0
81.03396	20.9
81.07044	60.9
82.06572	4.3
82.07332	2.5
83.04961	8.2
83.08617	6.1
84.04495	7.7
84.08120	8.6
85.02888	34.6
85.06528	8.2
86.09195	4.6
86.09695	73.9
87.00811	10.9
87.10023	5.0
91.05434	23.3
93.07034	44.3
94.06563	4.1
95.04964	13.2
95.08591	29.3
96.04491	4.4
96.08115	3.4
97.02866	12.6
97.06535	8.2
97.10165	6.1
99.04420	6.0
99.08062	6.2
101.02336	5.8
102.05511	2.7
103.05450	9.5
105.01851	16.3
105.07014	78.7
107.04961	3.7
107.08570	32.7
108.08131	5.9
109.02871	13.0
109.06517	22.5
109.10150	22.3
109.74420	2.5
110.07140	3.5
110.09751	2.8
111.08112	3.7
117.07023	6.6
118.06539	3.4
119.08572	37.5
120.08087	100.0
121.06510	3.9
121.08417	11.0
121.09279	4.9
121.10126	77.0
122.09647	3.9
123.08044	7.1
123.11678	14.4
125.09627	22.6
127.03892	27.6
127.11154	7.0
129.10199	3.7
131.08508	14.8
132.10187	9.3
133.08604	2.7
133.10114	41.4
135.08029	10.8
135.11687	8.2
136.07539	4.4
137.05980	6.5
137.09598	10.9
137.13223	4.1
141.10190	10.3
142.17126	2.5
143.08577	3.2
143.10658	33.5
145.04915	8.3
145.10101	24.7
146.09721	2.5
146.11781	4.2
147.07933	3.4
147.11661	42.3
149.09602	3.2
149.13202	6.1
151.11104	3.0
155.14265	11.7
159.02890	4.3
159.11700	19.2
161.13213	16.1
163.11101	5.0
165.12704	33.5
167.05626	3.1
169.09761	9.8
173.13211	7.3
175.14792	6.6
176.14291	4.8
177.12787	4.0
177.16414	2.6
185.13194	3.0
187.14380	3.0
191.14325	13.2
191.17932	3.3
201.16371	24.9
203.17870	2.5
204.13860	8.7
209.15334	21.4
217.08194	3.5
218.15335	4.5
219.13979	3.4
219.17381	40.1
220.16956	11.8
222.14890	7.8
222.18439	18.3
231.04970	7.5
233.16586	5.4
234.16890	2.8
234.98825	3.1
237.14830	2.6
237.18428	14.5
238.17935	18.6
238.68156	5.7
239.18710	20.3
239.68959	5.5
240.19530	49.2
245.06029	2.8
245.12730	3.3
249.05974	3.2
249.12402	7.6
255.15944	4.0
256.19058	4.1
264.15878	4.6
269.76013	2.6
272.18533	3.7
277.11862	12.0
279.68140	2.7
281.18588	10.7
316.16449	3.1
382.65106	2.8
383.19324	3.2
392.37280	2.7
519.84357	6.2
519.93835	3.0
520.25787	3.9
520.37683	68.7
520.77557	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	520.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05506	0.7
57.03419	5.0
57.07059	1.2
59.04997	0.6
61.02908	1.0
61.36230	0.6
67.05479	2.5
68.96702	0.6
69.03418	6.1
69.07060	1.3
69.43212	2.0
69.43640	3.8
70.06563	2.8
71.04963	3.7
72.08120	1.0
72.70119	0.5
73.02563	0.8
73.02899	9.2
79.05463	1.8
81.03383	0.8
81.07026	2.8
84.08110	0.8
85.02887	8.2
85.06512	1.7
86.09687	1.1
91.05441	2.9
93.07011	3.2
95.04942	2.9
95.08591	5.4
97.02872	6.8
99.04425	0.7
102.54590	0.7
105.06995	4.4
107.08584	5.5
108.08106	0.9
109.06493	75.7
109.10136	15.9
111.08031	1.6
115.03905	4.3
117.06985	1.4
119.08532	2.2
120.08113	0.9
121.10127	3.9
123.08035	7.6
124.85397	0.7
125.09599	0.7
127.03871	2.4
131.08543	8.8
133.05032	0.6
133.10092	8.3
135.08026	29.2
139.11128	1.0
145.04919	1.9
145.10071	2.6
147.11638	1.9
149.09520	1.2
149.13226	0.7
153.09111	3.3
158.10823	1.8
163.05952	0.8
173.13228	12.7
191.12469	1.6
191.14268	56.6
209.15323	100.0
210.15556	1.4
222.18350	0.9
238.18010	1.7
240.19489	2.1
250.81773	0.6
256.06683	0.6
317.78851	0.6
371.20670	1.4
375.18362	0.7
434.64700	0.7
475.66220	0.7
520.36407	1.3
522.27075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01846	1.3
55.05493	2.8
56.05027	1.0
57.03427	7.0
57.07048	1.9
59.04988	0.9
61.02896	1.5
63.65648	0.7
67.05486	5.3
69.03416	9.6
69.07062	4.1
69.76712	4.1
69.77129	1.6
70.06576	12.0
71.04983	4.4
72.08148	2.4
73.02899	14.7
79.05470	4.4
81.03412	1.8
81.07040	6.1
82.06588	0.8
83.04962	1.4
83.08600	1.1
84.04495	1.5
84.08141	2.5
85.02887	10.5
85.06528	3.2
86.09692	12.3
91.05441	5.5
93.07021	4.9
95.04964	4.5
95.08618	5.7
95.09147	1.2
96.08126	1.1
97.02879	10.1
97.06488	1.9
98.20770	1.5
99.04452	1.3
105.07018	7.9
107.04936	1.6
107.08574	7.6
108.08119	1.9
109.02866	1.6
109.06500	88.8
109.10146	21.6
110.07142	1.5
111.08066	1.5
115.03915	6.2
117.06997	1.8
119.08595	5.0
120.08067	9.0
121.06461	1.2
121.10110	7.1
123.04411	1.6
123.08047	10.4
127.03845	3.0
129.06993	1.1
129.10172	1.7
131.08543	13.3
133.04988	1.2
133.10107	22.7
135.06995	1.8
135.08028	32.7
135.11691	1.0
136.07582	1.0
143.08543	1.2
145.04915	2.4
145.10130	3.7
147.04408	1.7
147.11670	2.4
149.09599	3.9
149.13197	2.0
153.09106	4.1
158.10907	1.5
159.11682	3.0
173.13228	27.3
175.14813	1.1
191.14275	82.3
192.14470	1.1
201.16302	1.1
209.15331	100.0
210.15611	1.5
212.60442	0.8
219.13799	2.3
219.17392	1.2
220.17018	2.9
222.18451	2.5
223.05879	1.1
233.16431	1.1
236.16296	1.1
238.17947	7.7
239.18660	2.5
239.68869	1.0
240.19571	7.4
241.19771	1.2
242.15063	1.5
242.72336	0.9
246.17749	1.7
295.13000	1.4
371.20587	2.0
469.25925	1.2
475.35455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01856	2.0
55.05514	4.2
56.05025	1.6
57.03424	2.6
58.06591	1.5
59.04980	1.1
60.04496	1.5
61.02922	1.1
65.03926	0.6
67.05496	8.3
68.05007	1.0
69.03421	8.0
69.07059	6.6
70.06581	32.5
71.04980	4.4
71.06919	1.3
71.77227	0.9
72.08144	6.7
73.02892	3.4
74.06054	1.7
74.91624	0.8
79.05481	12.3
81.03409	2.9
81.07047	15.1
81.58753	0.7
82.06561	2.4
83.04964	2.4
83.08604	1.1
84.04503	4.1
84.08136	6.5
85.02889	7.6
85.06519	3.1
86.09692	26.3
87.00820	1.8
87.10014	1.1
89.06004	1.1
91.05449	12.4
93.07034	37.4
94.06559	1.6
95.04961	5.0
95.08595	9.3
96.08113	2.1
96.08894	0.9
97.02879	5.1
97.06539	3.8
98.06007	1.0
99.04390	0.8
102.05532	1.1
103.05462	2.1
104.05321	1.1
105.01833	1.9
105.07020	17.9
106.06580	1.0
107.04953	1.7
107.07410	0.8
107.08578	14.3
108.08083	2.5
108.08866	1.2
109.02843	2.2
109.06506	32.4
109.10143	15.3
110.07169	5.8
110.09691	0.9
111.04462	1.0
111.08092	1.4
112.08684	1.2
113.05931	0.8
113.07109	0.7
115.03893	2.2
115.08612	1.2
116.18159	0.7
117.07039	5.4
119.04926	2.1
119.08564	15.4
120.08086	18.7
120.08871	0.9
121.06493	2.5
121.10126	100.0
122.09632	2.1
122.10454	1.2
123.04436	1.7
123.08070	5.8
123.11685	1.0
124.11216	1.3
125.05981	1.4
125.09609	1.2
127.03887	3.6
127.07568	0.9
128.06209	1.4
129.05502	4.5
129.07043	1.6
129.10220	3.7
130.04987	1.0
130.06532	2.0
130.08627	0.7
131.04909	1.0
131.08554	13.7
133.10100	6.4
135.08035	13.6
135.11699	2.5
136.07562	2.4
137.05965	2.9
137.09618	0.9
139.07527	4.2
141.10141	0.9
143.07033	2.8
143.08513	2.0
144.08249	0.7
144.09309	4.6
145.04895	1.6
145.10100	8.3
147.04405	2.6
147.07855	0.8
147.11668	2.7
149.09590	1.4
149.13257	4.7
151.07562	0.9
153.09103	1.7
154.08598	1.7
157.10092	3.5
158.10872	2.1
159.02969	1.0
159.09395	1.7
159.11670	65.1
160.12085	1.4
161.13242	1.6
163.03900	0.7
163.05898	0.8
163.07484	1.0
163.11159	1.8
163.14798	0.9
165.10231	1.3
165.12726	0.9
167.07002	1.2
169.09785	0.9
171.11665	1.3
173.09552	0.8
173.13246	17.9
175.14838	1.6
177.09096	1.8
177.12773	3.6
183.11707	0.9
187.10739	1.6
187.14461	1.6
191.14301	25.5
201.12672	3.1
201.16322	4.4
202.16034	0.8
203.14012	0.7
204.13728	0.8
209.15341	35.9
217.13368	0.9
218.15471	1.0
219.13771	45.4
219.17421	4.0
220.16933	8.0
221.15340	1.1
221.17349	1.7
222.18440	4.5
236.16556	1.7
237.14870	5.8
237.18501	1.0
238.17967	14.1
238.68190	1.9
239.18665	6.3
239.68896	3.5
240.19580	10.8
241.19891	2.1
245.18684	1.0
246.17857	1.2
256.19098	1.8
272.18515	1.3
276.13293	1.4
282.65836	0.8
287.05536	1.1
316.16766	0.9
373.18298	0.9
438.80066	1.7
475.35016	1.5
477.36594	1.1
513.94324	1.3
514.60132	1.0
519.74994	3.2
519.83020	3.4
520.25800	4.3
520.34613	6.0
542.22705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01847	0.8
55.05484	1.6
56.05022	2.7
57.03408	1.7
58.06571	0.6
60.04508	1.0
61.01110	0.6
61.02898	0.5
65.03895	0.7
67.05494	5.1
69.03417	6.8
69.07034	1.3
70.06581	15.4
70.35991	0.7
70.36359	1.7
71.01319	0.5
71.04955	1.2
71.06879	0.5
72.08147	4.9
73.02901	2.0
74.06080	2.3
74.20197	0.4
79.05482	2.9
80.05011	2.2
81.03408	5.7
81.07046	2.7
82.06551	1.3
83.01286	0.3
83.04948	0.4
83.06075	0.8
83.08598	0.9
84.04495	4.5
84.08132	7.0
85.02890	6.5
85.06506	0.5
86.06030	1.7
86.09207	0.7
86.09695	10.2
87.00792	1.7
87.04470	0.6
87.05564	0.7
87.10007	0.8
88.03970	0.9
89.05965	0.4
91.05450	1.4
93.07015	1.1
94.06526	1.2
95.04927	0.6
95.08567	1.7
96.08102	1.3
96.36693	0.4
97.02876	4.0
97.10148	0.5
98.06047	0.9
98.21443	0.5
99.04431	2.1
101.07102	1.5
102.05505	1.2
103.05428	1.7
104.05309	1.0
105.01868	0.8
105.06969	0.9
106.06508	1.4
107.07289	1.5
107.08566	1.7
108.08084	1.5
109.02856	4.1
110.06427	0.4
110.07138	2.0
112.07584	0.7
112.08692	0.4
115.03868	0.6
115.08592	0.4
116.07061	1.0
119.08527	0.6
120.08070	3.8
121.10147	0.9
124.07569	0.5
124.11224	4.2
126.09100	0.6
127.03900	5.6
127.08669	1.8
129.10222	3.2
130.51614	0.4
131.04878	2.3
132.08076	1.1
134.09587	0.5
136.07567	2.0
137.05943	0.7
145.04904	1.1
145.10030	0.6
147.07635	1.9
150.05804	0.5
151.07497	1.4
155.08159	0.7
159.02847	0.8
159.07698	0.5
159.09137	1.5
161.05917	0.4
163.03882	1.7
163.07498	1.2
163.11148	0.6
167.08105	0.6
169.09706	0.4
170.11742	3.9
171.11244	0.6
173.12889	0.9
174.12639	0.6
180.13908	0.5
181.26930	0.6
183.14877	0.4
184.13235	0.7
187.08662	0.7
190.15846	2.0
192.13899	0.6
201.12404	1.2
206.15396	2.5
208.13501	0.5
208.16910	5.0
210.14818	0.6
218.15347	7.2
224.16426	2.2
226.11867	0.5
226.17999	3.3
236.16418	10.3
244.12967	0.4
254.15208	0.5
254.17471	12.9
258.10791	0.5
260.10779	0.4
262.14862	0.4
272.18521	100.0
273.18765	1.6
286.15518	0.8
294.17953	0.4
460.45392	0.4
476.24896	10.9
502.23199	0.8
520.23804	66.8
521.23950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
55.10763	0.7
57.03437	3.9
57.07074	3.3
60.48019	0.6
64.63724	0.6
67.05495	7.6
69.07056	10.6
69.62904	3.7
69.63323	1.4
71.04981	0.8
71.08624	3.3
78.42168	0.6
79.05477	4.4
81.07048	11.7
81.94909	0.6
83.04974	0.9
83.08607	5.6
85.06532	1.8
91.05470	2.1
93.07027	9.2
95.04948	1.8
95.08591	12.2
95.09156	1.1
97.06502	2.4
97.10155	1.8
98.21520	1.3
99.08078	1.6
105.07004	3.6
107.08570	12.8
109.06494	4.9
109.10143	5.2
111.08073	2.7
111.11707	0.8
113.00001	75.0
119.08561	4.3
121.10131	8.4
123.08050	16.6
123.08937	1.1
123.11706	2.1
131.08553	0.9
133.10107	3.5
135.11659	2.9
137.09618	1.8
137.13213	1.2
145.10120	2.0
147.11658	1.9
149.13229	2.8
151.11147	0.7
159.11740	1.4
161.13199	1.3
163.14883	1.2
165.12825	1.2
167.14352	3.2
167.80600	0.6
169.02632	1.3
173.13269	0.8
177.16374	3.7
179.14279	16.0
179.15797	1.1
181.15858	0.7
187.03670	11.8
187.14749	0.7
193.15881	1.2
250.06271	1.9
277.21524	4.4
291.23199	1.2
291.26450	0.7
305.28268	0.7
306.12531	1.8
315.26904	0.8
333.27832	36.3
349.27310	0.9
351.28885	8.4
362.18863	2.2
371.29391	1.7
389.30353	4.3
407.31516	100.0
408.31781	2.7
418.24881	1.2
474.31183	2.4
501.29675	3.1
519.30621	3.1
519.39905	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	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52425	0.3
55.05484	1.0
56.05019	1.2
58.06595	1.5
60.08154	17.3
67.05494	2.8
69.07054	0.7
69.54873	3.0
69.55260	0.5
71.07363	5.9
79.05476	1.5
81.07050	2.6
86.09692	51.5
91.05455	0.8
93.07038	1.5
95.05068	0.4
95.08589	1.3
98.98453	3.7
101.80924	0.4
104.10725	100.0
105.07005	0.7
107.08585	0.8
124.99983	27.2
141.47211	0.3
150.76292	0.4
163.01524	0.9
184.07314	99.6
194.45619	0.4
212.27820	0.3
258.11005	1.0
332.68414	0.4
335.25864	0.6
371.80121	0.4
445.25711	0.4
488.20105	0.4
500.31274	7.9
518.32361	36.5
519.32458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05491	3.1
56.05039	1.4
57.03435	2.4
57.07058	1.4
58.06589	1.0
60.08154	13.7
61.02906	3.2
65.03900	0.9
67.05494	26.2
69.07065	5.1
70.22319	5.1
71.04971	1.7
71.07368	6.5
79.05482	19.4
80.14532	0.9
81.07047	30.0
83.04933	1.2
83.08590	2.9
85.02910	2.0
86.09696	48.6
91.05458	10.2
92.70133	0.9
93.07030	24.2
93.07623	1.2
95.04955	1.5
95.08595	27.4
97.06490	1.5
97.10134	1.7
98.98451	2.7
104.10730	86.3
105.07024	11.0
107.08572	20.9
109.06503	1.1
109.10139	18.5
110.09853	1.0
111.08096	1.0
117.06997	3.8
119.08546	8.0
121.10117	15.8
123.08043	1.6
123.11675	3.9
124.99982	24.0
131.08527	9.1
133.10103	7.0
135.11668	14.7
137.13229	1.6
139.11133	1.1
145.10123	10.0
147.11662	8.1
149.13225	11.1
151.11156	2.2
159.11670	8.5
161.13272	2.2
163.14781	4.3
165.12692	1.2
167.05518	1.3
173.13257	5.8
175.14799	1.1
179.14360	1.3
184.07318	100.0
187.14830	2.2
201.16396	1.1
219.21091	3.0
220.41745	1.1
229.19475	19.0
247.20546	45.6
247.23169	2.3
265.21719	1.8
299.06384	1.8
321.24237	7.4
330.97598	1.0
339.25278	17.4
500.31305	8.0
518.32233	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	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86479	0.1
55.05494	0.1
56.05025	0.4
57.03414	0.2
58.06612	0.4
59.07376	0.1
60.08151	6.7
67.05491	0.6
69.07044	0.2
70.06571	0.2
71.07359	2.9
71.25344	0.2
79.05460	0.2
80.97410	0.1
81.07033	0.6
86.09689	30.8
87.10017	0.2
88.78881	0.1
91.05466	0.2
93.07040	0.4
95.08588	0.3
98.98443	2.8
102.09223	0.1
104.10725	3.0
105.06998	0.1
107.08553	0.1
117.97916	0.1
119.08477	0.1
121.10085	0.1
124.99979	21.3
126.00344	0.1
126.91494	0.1
143.01031	0.3
160.43697	0.1
163.01643	0.1
166.02588	0.1
184.07304	100.0
185.07639	0.6
258.10971	0.3
335.25717	0.2
361.68103	0.1
394.53427	0.1
500.31348	1.0
518.32318	3.1
519.32776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00454	0.3
55.05499	2.1
56.05032	2.4
57.05805	0.3
58.06596	0.5
60.04515	1.8
61.01146	0.4
67.05500	0.4
68.05019	0.7
69.03419	0.4
69.07056	2.0
70.02930	0.6
70.06583	100.0
70.35004	0.9
71.04990	0.4
71.06914	1.2
72.08147	12.1
73.08467	0.6
74.06068	4.4
75.05597	1.0
76.92492	0.3
81.07032	0.5
83.06097	0.8
84.04494	4.1
84.08134	8.8
85.02895	0.7
85.08486	0.4
86.06041	0.7
86.09695	34.7
87.05570	1.0
87.10021	1.7
88.03992	0.9
91.05470	1.1
93.04498	0.4
93.07061	0.3
95.04957	0.3
95.06042	0.3
95.08612	0.4
96.08114	0.4
97.02878	0.4
98.06043	1.3
98.09689	0.3
101.07162	1.6
102.05518	1.3
103.05436	0.4
104.05280	0.8
107.08611	0.3
108.08085	0.4
110.06011	0.4
110.07147	5.6
111.07480	0.3
111.09190	0.3
112.03851	0.3
112.08680	0.6
113.07110	0.5
115.08663	1.0
116.07072	1.1
119.04931	0.5
120.08090	4.7
121.08424	0.5
126.05524	1.5
126.09104	0.6
127.08662	39.9
129.10223	6.1
130.04984	1.0
130.06480	0.5
130.08562	0.7
130.10593	0.4
132.08047	0.7
133.06050	0.4
133.10117	0.5
136.07561	2.8
139.08669	0.6
140.08176	0.4
141.06555	0.5
141.10182	0.8
143.11784	5.0
147.07631	0.6
147.11490	0.3
148.06036	0.4
148.20207	0.3
152.10616	0.4
153.10257	0.4
154.08601	0.6
155.08134	25.1
156.07643	2.1
157.09683	1.2
157.13341	1.3
159.07681	0.4
159.09084	0.6
159.11292	0.7
161.09286	0.3
165.10201	0.5
166.08644	1.5
167.11769	0.6
169.09743	0.4
169.13368	0.5
171.07669	0.4
171.11296	3.4
173.09195	0.8
173.12852	1.8
177.79005	0.3
181.09691	0.8
183.11290	0.6
183.14984	0.6
185.09186	1.0
185.12892	1.5
185.16473	1.6
186.09053	0.5
187.07060	0.6
187.10788	0.6
187.14435	2.7
195.11270	0.4
197.12869	0.9
199.07120	0.5
199.10730	2.4
201.12299	2.2
203.10223	0.7
206.12810	0.4
213.16002	0.5
215.13869	2.3
217.08165	0.4
217.11795	0.5
220.16824	0.8
224.13901	0.8
227.17630	0.4
228.13315	0.3
229.11670	0.4
231.13333	0.4
234.12447	0.4
238.11668	0.5
238.17957	1.2
246.17868	0.5
247.12962	0.8
249.12263	0.3
252.13423	4.2
254.14996	2.2
258.14429	0.6
267.13358	1.2
272.16025	2.7
277.11624	0.4
278.14825	0.4
286.14050	0.6
286.17264	0.4
300.15466	0.3
300.19205	0.7
308.15997	0.7
309.15622	0.5
325.18527	1.2
330.16281	0.4
335.17010	1.9
339.23950	0.4
346.17453	1.8
348.17172	0.7
353.18225	5.4
364.18619	5.6
367.23215	1.2
375.48819	0.3
385.24088	0.5
410.80386	0.3
461.23560	1.3
482.23975	1.8
500.24973	6.6
517.76227	0.5
518.25726	7.2
518.36725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54701	0.6
51.48772	0.5
53.03939	1.1
55.01857	1.7
55.05488	0.8
56.05016	1.7
57.03418	1.5
60.04505	2.0
61.02925	3.6
62.65271	0.5
69.03419	7.5
69.07059	0.6
69.78508	1.2
69.78918	2.6
70.06209	1.1
70.06582	22.3
71.04965	1.4
71.06921	1.0
72.07802	0.8
72.08141	8.3
73.02887	1.6
74.06057	1.8
79.76325	0.6
79.76807	0.6
81.03402	4.2
83.06084	1.3
84.04498	6.6
84.08134	7.9
85.02890	31.0
85.08498	0.7
86.06036	0.7
86.09698	12.0
87.04433	0.8
87.05563	1.2
88.03976	1.1
91.03926	1.2
91.05457	0.8
97.02875	9.8
99.04427	1.6
101.07124	2.1
102.05509	2.1
105.07030	0.7
109.02879	3.1
110.07138	1.9
112.07574	0.8
112.08688	1.0
116.07085	1.0
120.08083	1.2
123.04404	2.0
126.05563	0.7
127.03899	7.4
127.08624	0.7
128.07027	0.6
129.06555	1.0
129.10213	6.6
130.04913	0.7
131.04906	1.1
132.08105	0.8
135.04393	1.4
136.07506	1.4
139.03844	0.7
145.02814	1.9
145.04930	6.8
146.16467	1.2
147.04367	10.4
147.07579	0.6
147.11275	0.6
149.02338	3.3
149.05946	0.6
155.08167	0.9
156.07700	0.7
157.09694	1.0
159.04388	1.6
161.05956	0.7
162.03081	0.6
163.03873	15.2
165.05432	1.0
171.11278	1.0
173.09283	0.8
175.03896	1.8
177.01762	6.5
177.05426	2.7
180.08687	3.0
185.09174	0.9
187.02467	0.7
187.03839	3.3
187.10776	0.7
187.14273	0.8
189.05438	1.9
191.03300	0.7
195.02824	1.0
201.05328	0.7
201.12291	1.5
203.03362	100.0
203.10291	1.7
204.03702	1.4
205.04904	7.1
213.05510	1.1
215.03384	6.3
217.04939	1.3
219.02914	1.6
229.04932	2.0
231.02834	13.5
233.04388	6.8
235.61163	0.7
243.02795	0.9
247.06189	0.7
251.05382	0.7
253.16193	0.8
257.12363	0.8
258.10739	1.1
259.06079	1.2
261.03870	8.8
275.05362	0.8
279.01859	0.9
279.04944	17.9
291.04935	24.4
303.04950	1.6
304.14880	0.9
321.06009	10.6
339.07053	48.5
356.09586	5.4
357.07968	1.6
359.30112	0.6
380.09637	1.3
518.15198	5.4
518.28546	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3882
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03934	1.5
55.05503	11.5
57.03423	4.4
57.07057	1.8
64.99864	1.3
67.05495	21.8
69.07053	13.3
71.04977	1.7
71.61851	2.5
78.04015	1.3
79.05483	17.2
81.07046	30.8
83.04953	2.3
83.08596	6.4
84.08175	1.6
87.04459	1.6
91.05479	15.1
93.07033	21.3
95.04984	2.2
95.08593	22.1
96.29785	1.5
97.06509	2.9
97.10167	3.3
105.07022	15.5
107.08569	16.2
109.10133	11.9
111.08072	1.5
117.07014	5.9
119.08565	17.7
121.10133	14.4
121.94271	1.4
123.08053	1.5
123.11689	3.1
129.07037	2.9
131.08548	12.2
133.10110	10.9
135.11681	7.2
141.06982	2.2
143.08527	3.8
145.10098	11.8
147.11655	12.3
149.13266	6.7
155.08514	1.8
157.10133	3.4
159.11684	8.7
161.13249	7.3
163.11261	1.7
163.14864	2.7
169.10074	2.3
171.11711	5.3
173.13239	8.7
175.14880	3.0
185.13249	2.4
187.14821	5.3
197.13277	1.8
199.14909	3.3
213.16330	1.4
214.16165	1.3
225.16273	1.7
240.19685	3.5
241.17842	2.4
259.20575	3.2
280.19174	1.9
287.23962	1.9
333.24332	2.3
405.30109	3.3
407.32953	2.0
419.31680	1.9
425.34326	9.7
443.35440	4.0
479.38129	2.6
499.37674	13.3
517.38849	100.0
518.39081	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	517.3884
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03937	2.3
55.05498	7.6
57.03431	2.8
57.07062	3.0
60.49520	1.4
67.05501	21.5
69.07054	11.6
69.51852	4.0
69.52264	9.7
70.06613	1.7
71.08638	1.6
76.40307	1.4
79.05480	14.9
80.91899	1.3
81.07050	24.5
81.46223	1.4
83.04964	1.4
83.08625	5.6
85.06497	1.8
91.05473	13.2
93.07034	21.6
95.04968	2.7
95.08598	25.7
97.06521	3.6
97.10168	2.3
104.10757	1.6
105.07036	14.9
107.08553	15.7
109.06516	1.8
109.10138	10.8
117.07024	5.4
119.08579	17.8
121.10120	11.7
121.73410	1.5
123.11711	3.4
125.09635	1.4
131.08556	10.7
131.09264	1.1
133.10109	11.2
135.08049	2.0
135.11668	7.5
137.09612	1.7
143.08566	4.3
145.10089	13.2
147.11652	11.6
149.13277	4.9
157.10143	5.6
159.11690	9.2
161.13292	6.5
163.14847	2.9
169.10196	1.7
171.11708	4.1
173.13272	8.2
175.14836	3.1
185.13284	3.9
187.14885	3.2
199.14836	4.3
201.16328	2.5
210.97716	3.2
211.14958	1.9
238.18010	2.0
240.19562	3.1
241.17776	1.7
246.67947	1.6
259.20624	2.2
261.22275	1.6
277.21640	1.8
287.23755	1.4
299.23737	1.8
300.30219	1.5
313.25293	2.3
351.26776	1.4
367.08344	1.7
405.30179	2.3
407.33289	1.9
419.31702	2.2
425.34247	9.7
443.35223	5.5
479.38315	2.8
499.37735	17.1
517.38922	100.0
518.39258	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	517.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16587	0.2
53.03923	0.5
55.01867	0.4
55.05502	3.0
56.04814	0.2
56.05029	2.0
57.03432	0.4
58.06582	0.4
59.33650	0.2
60.04493	0.8
61.01128	0.4
66.78733	0.2
67.05151	0.3
67.05493	4.2
67.75247	0.2
68.05006	0.8
69.03408	0.6
69.06706	0.2
69.07057	2.6
70.02946	0.3
70.06581	16.7
71.04976	0.4
71.06892	0.8
71.77070	0.3
72.04488	0.3
72.08144	4.2
73.02887	0.4
73.08469	0.4
74.06060	1.6
74.09720	0.2
77.03922	0.2
79.05479	2.9
80.04997	1.4
81.03385	0.5
81.05791	0.2
81.07043	3.5
82.06567	1.8
83.04977	0.3
83.06086	0.6
83.08595	0.7
84.04491	2.4
84.08131	6.4
85.02885	1.2
85.06516	0.4
85.08453	0.4
86.06037	0.5
86.09691	12.7
87.04449	0.6
87.05605	0.9
87.10011	1.0
88.03970	0.7
89.06014	1.3
91.05463	3.7
93.04508	0.3
93.05767	0.4
93.07034	3.1
94.06545	3.3
95.04945	1.1
95.06023	0.3
95.07316	0.3
95.08594	3.1
96.04467	0.5
96.08110	2.5
97.02879	0.5
97.06529	0.2
97.10146	0.7
99.04422	0.3
101.07127	0.6
102.05531	0.8
103.03931	1.1
103.05466	0.3
104.05338	1.2
105.07024	2.0
106.06523	1.4
107.04965	0.2
107.07345	2.5
107.08562	2.4
108.04433	0.2
108.07397	0.4
108.08103	5.5
109.06490	0.4
109.08856	0.5
109.10130	0.7
110.07151	4.1
110.07874	0.1
110.09684	1.4
112.07586	0.3
112.08725	0.3
112.25243	0.2
113.07145	0.2
115.08685	0.7
116.07054	0.3
116.90189	0.2
117.06997	0.8
118.06490	0.3
119.04903	0.3
119.07304	0.3
119.08585	1.4
120.08077	5.3
120.08906	0.4
121.06485	0.4
121.08891	3.3
121.10125	0.7
122.06007	0.2
122.09650	5.2
123.08057	0.4
123.10401	0.5
124.07545	0.5
124.11207	2.0
125.09611	0.2
126.09101	0.2
127.03900	0.3
127.08664	0.8
128.10710	0.4
128.84592	0.2
129.05348	0.2
129.06976	0.3
129.10216	3.3
129.11095	0.3
130.04974	0.4
130.06548	0.4
130.08626	0.5
131.07185	0.2
131.08551	1.0
132.08081	1.4
132.10178	0.8
133.06239	0.2
133.08623	1.2
133.10103	0.8
134.09634	4.5
135.10428	1.2
135.11430	0.2
136.07555	1.9
136.11185	3.5
137.05966	0.3
137.07956	0.2
137.09573	0.4
138.09079	0.4
138.12721	0.3
141.06564	1.0
141.10228	0.4
143.08504	0.5
143.11781	0.6
144.06526	0.3
144.08086	0.3
145.04967	0.2
145.10031	0.9
146.06079	0.3
146.09627	1.2
147.04453	0.2
147.07767	0.2
147.10365	0.6
147.11604	0.3
148.07526	0.2
148.11177	1.8
149.09554	0.2
150.09085	0.3
150.12668	0.3
152.10716	0.4
152.14311	0.2
153.10220	0.3
154.84044	0.2
155.08148	0.8
155.11746	0.2
157.09914	0.3
157.13385	0.2
158.09662	0.3
159.07637	0.6
159.09172	0.4
159.10406	0.2
159.11612	0.4
160.11208	0.7
161.09526	0.2
161.11911	0.3
161.13231	0.3
162.07632	0.5
162.09062	0.3
162.12801	0.4
163.11143	0.4
164.10638	0.2
164.14394	0.2
166.08601	0.3
169.09706	0.4
169.13338	0.5
170.11700	1.0
171.11450	0.2
172.11340	0.2
173.09328	0.4
173.12859	2.4
174.12785	0.6
176.14323	0.6
178.13412	0.5
181.09775	0.2
183.11292	0.2
185.09276	0.2
186.12659	0.2
187.07144	0.7
188.14420	0.4
190.15883	1.7
192.13760	0.3
192.17451	0.4
193.09615	0.2
196.09593	0.2
197.12839	0.3
198.13075	0.2
199.17940	0.2
200.14061	0.3
201.10660	0.3
201.12346	1.6
202.15948	0.8
203.14162	0.2
204.13907	0.4
204.17436	0.3
205.09840	0.4
206.15404	0.6
207.13826	0.4
208.16960	0.6
210.14961	0.3
214.16003	0.2
215.13957	0.8
216.17493	0.6
218.15382	4.2
218.18866	1.0
220.16934	9.9
221.17314	0.2
222.14870	0.7
222.18523	0.5
223.13498	0.2
223.15543	0.6
224.16364	0.6
226.17970	0.3
230.15408	0.3
232.16911	1.0
234.14943	0.5
234.18550	0.5
236.16396	4.8
236.20032	0.3
238.17979	20.0
238.68227	0.3
239.18605	1.9
239.68867	0.5
240.19550	2.3
241.19885	0.4
243.13348	0.3
244.16924	1.6
246.18484	6.1
246.20943	0.3
247.12939	0.4
247.18755	0.4
248.16512	0.4
248.20117	0.6
249.09903	0.2
250.18011	2.1
251.14868	0.5
252.15952	0.4
252.19614	0.7
254.17459	3.7
256.19006	1.8
260.16324	0.2
262.17990	4.4
264.19543	12.6
265.19736	0.3
266.18127	0.3
266.21097	3.3
272.15900	0.4
272.18588	1.3
275.16013	0.6
280.16055	0.4
280.19022	6.4
281.19760	2.1
281.70047	0.6
282.20651	3.5
298.20093	1.5
300.21872	0.3
312.15823	0.2
317.19275	0.2
318.16586	0.4
324.17960	1.7
329.17377	0.4
330.16940	0.2
377.01517	0.2
387.18582	0.4
474.27356	0.2
479.37601	0.7
499.27866	0.3
499.35257	1.8
517.36310	100.0
518.24847	0.5
518.36774	4.4
539.81250	0.2
540.30823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.23
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.7
60.08108	0.4
60.32744	0.3
62.13183	0.3
62.80805	0.4
64.48323	0.4
68.05034	0.5
70.06583	96.0
70.74277	0.4
71.06902	0.4
71.32704	0.8
71.33056	0.4
72.08154	2.1
74.06063	3.1
83.06075	0.7
84.04492	2.7
84.08138	0.4
86.09691	1.0
99.65336	0.4
101.07125	0.9
102.05525	1.0
110.07148	0.5
112.07591	100.0
113.07893	0.6
115.08722	0.4
130.04999	0.9
130.98468	0.4
139.08603	0.5
140.07048	66.7
142.70201	0.4
148.06050	2.2
152.09009	0.4
157.09703	20.4
163.03886	0.6
169.13358	1.0
187.42165	0.4
225.09502	0.4
231.09729	1.0
233.81848	0.4
240.13380	6.6
249.10789	4.4
268.12891	22.6
305.01459	0.4
316.18497	0.7
323.17120	1.4
324.15540	1.1
325.14914	1.2
334.13895	0.6
341.14420	0.5
341.18210	2.3
351.16629	3.3
352.14917	1.4
359.15753	0.7
369.17590	8.2
443.33878	0.4
453.19766	0.7
463.18640	0.6
480.20868	2.1
481.19217	7.0
498.21881	19.3
499.20303	0.5
516.32123	0.6
516.75262	0.5
523.36841	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	517.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
56.05027	6.5
57.03420	0.8
57.05811	0.6
58.06596	2.2
60.04515	2.0
60.05654	0.4
61.01145	0.3
67.05496	0.5
69.03425	0.9
69.07057	8.2
70.02947	0.6
70.06583	28.1
70.77097	0.3
71.04977	0.5
71.06908	1.9
71.75249	0.6
72.08147	11.5
73.02915	0.5
73.04015	0.6
73.08484	1.0
74.02424	0.9
74.06071	25.2
75.05595	9.6
75.94398	0.3
81.03370	0.6
81.07028	0.5
82.06561	0.5
83.06081	0.5
84.04496	7.9
84.08134	14.7
85.02888	1.1
85.08465	1.0
86.06071	0.8
86.09694	100.0
86.73302	0.3
87.05585	4.3
87.10009	1.6
88.04002	1.9
89.07167	0.4
91.05465	1.1
93.07053	0.6
95.01366	0.4
95.06083	0.4
96.04465	0.4
96.08118	0.6
97.02866	0.5
98.02455	0.5
98.06020	0.3
98.09669	0.6
99.05588	0.4
101.07126	9.2
102.05524	2.2
104.05322	0.5
107.08585	0.5
110.05997	0.4
110.07146	4.7
110.09692	0.6
111.07500	0.4
112.03940	0.6
112.07590	0.5
112.08709	0.7
112.11229	0.9
113.07050	0.5
114.09241	0.5
115.03889	0.4
115.08672	0.8
116.03434	0.7
116.07066	1.2
119.04933	0.5
119.08207	0.6
120.06530	0.4
120.08089	2.5
121.10109	0.5
122.02634	0.4
122.07048	0.3
123.08057	0.3
124.07596	0.3
124.11226	1.3
125.07075	1.1
126.05541	0.4
126.09153	0.5
126.12749	0.6
127.03906	0.6
127.04936	0.8
127.08652	0.6
128.10774	0.5
129.05667	0.3
129.06584	1.4
129.10226	11.0
130.04982	1.3
130.08627	0.9
130.10545	0.5
131.08148	1.0
132.08102	0.5
132.10204	0.4
133.06070	15.9
135.87967	0.3
136.07571	2.3
137.05977	0.7
138.06534	0.4
139.08644	0.4
140.07062	0.4
140.08122	0.4
140.48303	0.3
141.06586	1.1
141.10199	1.0
142.12245	3.9
143.11777	59.3
145.02760	0.4
145.06081	0.7
147.04379	1.2
147.07603	0.6
147.11284	0.6
148.06035	0.9
152.10707	2.3
155.08112	0.8
155.11664	0.5
156.07681	1.0
157.09691	0.8
157.13338	0.4
159.07710	0.9
159.09161	2.3
159.11546	0.3
163.03854	0.8
163.11131	0.3
164.06947	0.4
167.06941	0.5
169.06088	1.4
169.09727	0.9
169.13351	4.1
170.06013	0.5
171.11272	18.2
172.07150	0.5
173.12869	1.5
175.11914	0.8
177.05428	0.7
180.10204	0.4
182.12860	0.4
183.11285	1.1
183.14929	0.6
186.12372	0.7
187.14397	29.4
189.12410	0.7
197.12825	4.5
197.16602	0.5
199.10701	0.6
199.14359	1.5
201.12334	1.7
203.10201	0.8
205.12144	0.7
211.17892	0.4
215.13885	14.1
215.15956	0.7
215.83327	0.4
216.14024	0.4
223.13290	0.5
225.12392	0.4
226.15468	2.7
227.13887	2.1
228.13335	1.4
229.11795	1.6
230.11404	0.6
236.13890	0.5
244.16568	0.7
246.14464	15.2
249.09729	0.4
254.14969	26.3
259.12906	1.6
272.16013	26.0
272.19089	0.6
287.10083	0.4
287.13419	0.6
299.17014	0.6
301.11197	0.5
302.11136	0.3
309.11713	0.4
313.22256	0.9
316.14847	0.5
317.15237	0.7
317.18756	0.3
322.21082	1.0
329.17902	0.8
330.16446	1.4
339.20053	0.6
339.23846	6.6
340.22214	0.4
341.10403	0.3
341.21896	0.5
347.06970	0.3
347.19208	6.4
357.24896	4.7
367.23364	25.2
369.17944	0.7
370.24414	0.6
385.24402	8.0
386.20111	0.7
398.24036	0.6
414.27429	0.5
456.74496	0.4
499.28207	1.3
499.75226	0.4
500.27100	0.6
508.25824	1.6
508.75659	0.9
516.78656	0.5
517.23798	0.6
517.30219	4.4
517.77051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.8
57.03418	9.0
57.07061	3.4
61.02924	6.5
62.16625	2.7
65.03923	4.4
67.05495	87.1
69.03407	11.2
69.07060	21.5
70.06558	2.9
70.62409	5.2
70.62800	6.1
71.01341	3.1
71.04978	5.8
73.02875	6.3
79.05483	51.3
81.03401	6.4
81.07048	100.0
83.04967	5.1
83.08604	10.2
83.98891	3.6
85.02903	7.1
86.31960	2.8
91.05457	35.9
93.07033	68.5
95.04957	11.9
95.08595	72.1
97.02879	4.0
97.06503	8.7
97.10121	5.0
99.08096	4.4
105.07027	25.7
107.04925	3.5
107.08582	37.0
109.06508	5.3
109.10146	38.0
117.07011	13.0
119.08566	25.3
121.10125	37.4
123.08053	5.7
123.11693	19.1
125.09656	3.2
129.07010	7.1
131.08548	22.3
133.10097	20.7
135.11700	31.6
137.09583	3.7
137.13261	3.9
143.08551	5.4
145.10120	21.6
147.11676	11.4
149.13258	17.7
157.10124	5.4
159.11682	19.9
161.13237	14.1
163.14821	12.6
171.11720	4.2
173.13171	15.2
177.16333	3.7
183.11710	3.9
185.13240	4.5
187.14795	10.9
193.12405	4.6
201.16309	5.3
215.17891	3.1
220.16910	5.4
222.18520	6.6
238.18022	22.6
240.19643	28.8
241.19894	4.6
243.21104	25.6
261.22104	65.6
279.23169	5.1
282.54831	3.2
285.22336	3.5
301.21582	4.7
303.23175	5.7
317.24677	4.0
335.25693	27.7
345.24341	6.8
353.26947	24.0
369.24213	7.2
377.27347	3.3
419.27823	12.1
437.15988	4.0
443.28159	5.8
461.28952	5.0
477.36865	35.5
479.31342	3.8
479.37906	20.5
497.31046	16.6
515.25854	5.8
540.37317	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	515.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05500	2.1
55.51912	0.2
56.04999	0.8
58.06596	2.7
60.84656	0.2
67.05491	4.1
68.05006	0.3
69.03384	0.7
69.06738	0.3
69.07057	3.2
70.01355	1.2
70.06580	17.3
70.31127	0.2
71.04961	0.5
71.06899	0.5
72.08144	3.7
74.06069	1.1
76.02203	0.2
79.05483	1.9
81.03385	0.4
81.07040	7.0
82.06575	1.2
83.04967	0.3
83.06069	0.4
83.08579	0.8
84.04499	1.6
84.07644	0.2
84.08131	4.2
85.02879	1.1
85.06507	0.6
86.09692	21.5
87.05505	0.3
87.10004	0.4
88.03956	0.3
91.05466	2.1
93.07032	2.4
94.06528	0.6
95.04946	0.5
95.08588	5.5
96.08121	2.3
96.08750	0.3
96.08906	0.3
97.02880	0.4
97.06492	0.6
97.10111	0.6
98.05998	0.3
98.09669	2.0
101.07125	0.2
102.05501	0.3
104.05333	0.2
105.07020	1.8
107.07360	0.4
107.08572	1.8
108.08092	1.1
109.06506	0.5
109.10133	2.1
110.07112	0.9
110.09673	1.1
110.10368	0.3
111.04437	0.3
114.35827	0.2
119.04863	0.3
119.08534	0.8
120.08087	1.4
121.10114	1.2
122.09640	0.6
123.04422	0.3
123.08041	0.5
123.11664	0.8
124.11194	0.5
126.05470	0.7
126.09113	0.3
127.03851	0.5
127.08642	0.2
129.10246	1.8
130.04951	0.7
131.08543	0.5
133.10033	0.7
135.07993	0.4
135.11609	0.4
136.07555	1.7
137.05937	0.3
137.09619	0.5
140.10683	0.2
143.08487	0.3
143.11742	0.3
145.10089	0.6
147.04370	0.3
147.11617	0.7
149.09613	0.3
154.78767	0.2
157.13332	0.7
159.09093	0.4
159.11632	0.4
163.11131	0.4
168.06520	0.3
173.12975	0.3
183.14879	0.8
185.09422	0.2
185.12796	0.2
187.14650	0.4
189.09158	0.3
189.12335	0.3
192.10060	0.4
194.15384	0.4
194.18996	0.7
199.18080	0.7
201.12299	0.7
202.15968	0.3
211.14320	0.3
212.16365	1.1
214.16403	0.2
220.16939	5.3
221.17313	0.5
222.18491	24.7
223.07512	0.3
223.18768	0.9
238.17986	13.0
238.68089	0.7
239.13866	2.7
239.18706	7.1
239.68985	2.0
240.19542	100.0
240.69756	2.7
241.09575	0.4
241.19881	3.9
242.20082	0.4
248.69499	0.3
249.14752	0.5
253.09576	0.3
256.19138	0.3
257.14960	1.6
258.20551	0.8
267.11160	0.4
267.15710	0.5
267.18683	0.2
292.51633	0.3
296.11313	0.3
300.18991	0.3
313.11737	1.1
314.12128	1.1
324.12579	0.3
328.18585	4.7
328.73212	0.3
342.11557	0.6
373.13916	1.4
374.14185	4.0
375.14435	0.3
429.20349	0.4
471.22760	0.3
477.36807	16.7
478.37076	0.5
479.38351	74.3
480.38696	1.8
483.19440	0.5
515.21112	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03967	1.6
53.03928	3.8
55.01853	2.0
55.05293	1.9
55.05503	21.0
55.30938	1.4
57.03419	7.0
57.07048	5.1
61.02906	5.0
65.03930	2.5
67.05497	88.1
69.03410	7.9
69.06748	2.0
69.07061	18.5
69.51822	12.7
69.52246	3.7
70.12294	1.8
71.04974	4.3
71.08625	2.3
73.02874	2.5
79.05483	54.7
81.03403	6.3
81.07048	98.5
83.04945	3.5
83.08618	9.3
85.02897	8.8
85.06531	2.9
86.29577	1.6
91.04944	2.9
91.05473	38.2
93.06454	2.8
93.07035	69.4
95.04961	8.3
95.08595	80.5
97.02863	4.6
97.06516	5.4
97.10149	4.8
99.04434	1.5
99.08060	4.5
105.07013	27.7
107.04933	3.2
107.08578	46.9
109.06519	6.4
109.09427	3.1
109.10139	40.7
111.08060	3.7
113.09576	3.2
117.06998	13.7
119.08560	24.3
121.10139	37.8
123.08068	5.7
123.11694	20.9
125.09590	4.3
127.03945	2.1
129.06966	3.7
131.08548	33.9
133.10135	20.0
135.08025	2.0
135.11682	30.7
137.13225	7.3
143.08539	5.0
145.10103	24.1
147.08107	2.0
147.11668	15.1
149.13254	23.1
151.14810	2.2
155.08557	1.7
157.10150	3.6
159.11676	16.6
161.13225	15.0
163.11195	2.6
163.14775	17.4
165.12759	3.1
169.10170	1.8
171.11649	4.7
173.13245	19.3
175.14745	4.6
177.16377	5.0
179.14288	2.0
183.11720	2.2
185.13261	3.4
187.14818	13.4
189.16397	1.7
191.14346	1.8
199.14774	2.8
201.16374	3.9
205.15695	2.7
215.17885	2.8
222.18449	1.6
225.16330	2.7
233.22635	6.6
238.18057	3.0
240.19449	5.1
243.18465	1.7
243.21066	37.0
261.22113	100.0
262.22418	2.0
263.23486	2.3
273.22165	2.2
279.23291	3.1
285.22156	3.7
301.21552	3.2
303.23141	3.9
335.25787	16.1
345.23969	2.7
351.23892	1.6
353.26865	22.4
369.24319	5.5
375.25101	2.1
387.25183	5.3
405.26028	3.1
419.27863	2.5
437.29230	1.9
438.45166	1.6
443.27798	3.2
461.28580	5.0
477.36819	6.9
479.30408	2.6
479.37778	3.8
497.30695	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01855	1.9
55.05502	18.8
57.03433	10.0
57.07064	4.0
61.02905	5.8
62.91295	1.5
65.03919	3.5
67.05494	94.2
69.03424	9.4
69.07063	19.9
69.51704	16.0
70.06543	1.9
71.04967	4.5
73.02918	2.1
79.05479	53.1
81.03392	3.6
81.07044	100.0
83.04947	4.6
83.08607	9.7
85.02879	6.1
85.06526	3.8
91.03921	3.5
91.05467	32.3
91.05998	1.2
93.07034	69.9
95.04955	9.4
95.08592	78.2
97.02854	4.3
97.06509	5.9
97.10151	4.2
98.20671	2.5
99.04417	1.7
99.08077	5.3
103.03902	2.0
103.11853	1.7
105.07017	25.3
107.04971	2.6
107.07845	2.2
107.08577	43.5
107.29691	1.4
109.06510	6.5
109.10142	42.6
111.08049	2.5
113.09621	1.5
115.03932	1.3
117.07014	12.4
119.08563	20.5
121.10139	39.7
123.08055	2.5
123.11696	20.4
125.09640	2.1
127.03880	1.7
129.07028	2.0
131.08536	29.0
133.10114	21.3
135.07990	2.5
135.11678	29.1
137.09604	3.4
137.13226	5.3
143.08534	3.0
145.10115	20.4
147.11658	15.1
149.09517	1.6
149.13243	22.9
151.14917	2.4
153.12729	1.9
157.10115	3.3
159.11673	16.2
161.13232	15.3
163.11166	1.9
163.14786	13.4
165.12686	2.8
171.11633	2.1
173.13232	15.6
175.14819	5.1
177.12772	3.1
177.16386	7.0
179.10864	1.5
179.14325	3.2
187.14798	10.6
189.16373	1.6
191.14294	1.7
199.14754	2.3
200.03926	1.7
201.16371	5.0
205.15924	2.8
220.16895	2.3
222.18559	2.5
233.22523	3.5
238.17970	7.4
240.19481	7.0
243.21056	25.7
261.22104	88.9
263.23679	1.6
279.23166	6.0
301.21457	1.5
303.23114	3.1
317.24490	2.3
327.23087	1.9
335.25745	24.1
341.25122	1.5
345.24228	3.2
350.88544	1.6
353.22797	2.2
353.26871	24.7
369.24255	3.2
387.25079	2.9
405.26184	3.9
419.27747	6.6
443.28220	1.9
461.28833	4.6
477.36835	10.1
479.30173	2.2
479.37796	6.7
487.52505	1.5
497.30975	10.7
515.32501	1.8
535.91113	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	513.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
58.06586	0.8
67.05488	2.4
69.07045	1.8
69.86106	4.4
70.06580	8.2
71.06886	0.9
72.08115	0.6
79.05466	2.1
81.03418	0.8
81.07036	3.3
82.06561	0.8
84.08150	1.5
86.09679	2.4
91.05466	1.1
93.07016	1.8
94.06564	1.9
95.08586	1.9
96.08107	4.3
105.07015	1.8
107.07333	0.8
107.08583	2.3
108.08120	3.5
109.06474	0.8
109.10126	1.1
110.09656	1.9
116.07013	0.6
116.24673	0.6
120.08054	2.8
121.10120	0.9
122.09669	2.1
124.11224	1.1
127.03928	0.9
129.10172	0.9
131.08537	0.6
180.15195	0.7
184.20021	0.7
192.17448	1.0
202.15982	1.4
204.17564	0.7
218.15302	1.5
220.16930	23.7
220.19035	1.3
221.17216	0.8
222.18495	9.9
236.16324	0.8
238.17982	61.8
239.18658	4.6
239.68999	1.2
240.19540	44.7
241.19980	1.3
256.18942	2.0
313.11798	1.8
341.11255	0.8
373.13907	4.6
475.35400	0.8
477.36819	100.0
478.37213	4.9
513.15607	1.5
513.38293	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.3
64.56590	0.2
67.05460	0.2
71.08605	0.3
71.74663	0.2
78.73620	0.2
85.10136	0.2
89.06000	0.4
96.88615	0.2
109.10075	0.2
123.11687	0.2
185.04233	0.4
190.71263	0.2
220.16898	0.4
222.18474	0.5
238.18036	1.3
239.18413	0.2
240.19574	2.0
240.21962	0.3
313.27414	0.3
477.36874	2.8
479.37903	1.6
515.31848	100.0
516.32233	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.5
55.05499	21.9
57.02234	2.8
57.03414	5.4
57.07069	7.2
61.02919	5.9
62.79720	2.6
65.03918	4.5
67.05496	85.4
69.03421	15.2
69.07051	18.5
70.06594	3.8
71.04967	5.7
71.11916	2.8
79.05479	57.5
81.03399	8.9
81.07045	100.0
83.04957	5.8
83.08611	8.7
85.02901	9.6
91.05470	45.3
93.07030	73.8
95.04965	9.7
95.08597	70.6
97.02910	7.9
97.06497	6.4
97.10098	3.8
98.20732	5.7
99.08073	7.1
102.47871	2.9
103.03998	2.8
105.07023	33.8
107.08581	50.2
109.06516	10.4
109.10142	39.5
111.08092	4.8
117.06975	20.3
119.08559	28.9
121.10133	48.1
123.08042	5.3
123.11697	15.6
127.03912	3.2
129.06963	3.5
131.08534	35.8
133.10106	29.2
135.08025	5.9
135.11668	30.6
137.13242	5.6
139.11172	5.3
141.06935	3.5
143.08533	7.7
145.10118	24.1
147.08086	3.0
147.11662	19.1
149.09631	5.1
149.13225	21.8
151.07529	3.1
155.08516	5.8
157.10103	5.2
159.11694	21.9
161.13254	15.7
163.14705	15.2
169.10097	4.1
171.11705	7.1
173.13202	19.3
175.14851	6.7
177.16373	5.2
179.14154	3.7
183.11647	3.1
185.13284	4.9
187.14818	12.3
191.14200	4.6
195.11678	3.5
201.16391	3.5
203.14410	3.3
220.16945	7.1
222.18604	4.3
229.76917	3.0
238.17958	18.4
240.19604	24.2
243.21059	24.9
259.20587	4.1
261.22116	85.6
277.21423	3.3
279.23026	3.6
293.00644	3.4
301.21579	3.8
335.25751	17.3
345.24179	8.0
353.26825	27.2
369.24179	8.5
377.26910	5.2
387.25323	10.0
405.26291	8.1
419.27695	6.8
423.27432	3.2
443.27710	3.7
461.28885	8.1
477.36835	34.2
479.30371	7.3
479.38037	18.7
497.30817	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	513.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.5
57.07050	0.4
58.32952	0.3
62.83018	0.4
67.05489	0.9
69.07066	0.9
69.64417	1.7
69.64828	0.9
70.06576	1.1
71.08627	0.3
73.88416	0.3
79.05446	0.3
80.05003	0.5
81.07045	1.0
84.04501	0.5
93.07035	0.9
94.06609	0.4
95.08583	0.9
96.08144	0.6
100.07610	0.3
107.08573	0.4
108.08104	0.8
119.08577	0.4
122.02738	0.6
122.09646	0.5
169.01712	0.4
185.04297	0.5
217.67921	0.3
220.16924	4.2
222.18553	1.8
238.17986	12.8
240.19576	7.9
256.26376	1.1
259.36188	0.3
283.26352	0.9
395.62369	0.4
475.35709	1.6
477.36807	23.7
478.36755	0.4
512.50049	0.8
513.30292	100.0
514.30518	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	513.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13033	0.5
63.71753	0.4
67.05500	0.7
69.07062	0.5
70.06573	1.2
71.71721	0.9
74.06630	0.5
81.07042	0.7
83.04999	0.5
95.08591	0.6
104.99249	1.2
109.39346	0.5
196.95169	1.4
220.16975	1.1
238.17960	3.9
240.17445	0.6
240.19528	2.6
260.16199	9.2
276.15686	6.6
338.96109	2.7
356.97498	0.5
358.84552	0.6
374.97726	0.5
379.98846	0.8
406.86856	0.6
477.36880	5.0
513.32904	100.0
514.33014	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	512.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.2
57.03416	1.9
57.07066	100.0
58.14708	1.1
59.04711	1.8
59.04992	30.0
64.64240	1.1
67.05466	1.5
69.07050	5.3
69.08318	1.2
70.06578	8.0
70.74874	3.0
70.75237	2.2
70.92798	1.3
71.08617	94.1
81.07045	3.4
83.04963	1.3
83.08601	4.3
85.10168	86.4
87.04434	4.2
87.08102	1.3
88.07619	7.9
89.06015	72.1
93.07004	1.6
95.08586	3.9
97.10146	3.0
98.98457	1.7
99.11693	10.3
101.09629	2.9
102.09177	5.8
103.07549	3.0
105.89482	1.3
107.07030	2.1
117.09112	5.8
130.08612	4.3
133.08582	59.2
141.16357	10.8
163.85394	1.2
175.09515	1.8
177.11182	15.8
191.12952	1.3
199.20532	29.2
220.16922	3.6
221.13780	4.9
221.17212	1.5
222.18616	1.5
228.23312	1.7
238.17889	7.9
239.14856	22.5
240.19690	5.8
240.23155	3.8
256.26324	25.8
257.24698	14.7
274.27386	2.2
279.18002	3.4
283.17453	3.4
283.26279	25.5
294.08514	1.6
297.18994	12.2
297.27448	1.4
309.67502	1.2
311.29578	1.5
327.20047	23.3
340.29282	6.9
388.78577	1.4
440.87302	1.2
449.21347	1.4
465.78519	1.4
476.35626	4.6
477.36896	13.2
495.39172	8.8
512.42249	2.8
512.50275	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.05028	1.9
60.04510	1.2
61.01147	0.4
67.05490	0.3
68.05025	0.6
69.03428	0.7
69.07058	1.2
70.06580	100.0
71.05008	0.3
71.06908	2.0
71.59232	0.3
71.69170	0.3
72.08143	13.1
73.08459	0.4
74.06065	1.2
79.05489	0.4
81.03405	0.5
81.07040	0.9
82.06547	0.4
83.06099	1.1
84.04492	4.3
84.08128	7.0
85.02897	1.2
85.06549	0.4
86.05999	0.4
86.09693	21.5
87.05589	1.0
87.10023	0.7
88.03982	1.0
90.05564	0.4
91.05476	1.7
93.04493	0.3
93.07014	0.6
95.04967	0.7
95.06068	0.6
95.08586	0.5
96.51173	0.3
97.02866	0.6
97.06504	0.4
98.06031	0.7
101.07127	3.8
102.03751	0.3
102.05514	1.7
103.05437	0.4
104.05319	1.0
105.07032	0.7
107.04908	0.3
107.08609	0.3
110.07150	6.3
111.07492	0.5
112.07595	0.5
112.08718	0.8
113.07114	0.4
114.09161	0.6
115.03918	0.4
115.08691	1.4
116.07072	1.4
116.21159	0.3
119.04945	1.0
120.08089	4.6
121.08386	0.6
121.10206	0.3
124.07603	0.4
125.07024	0.3
126.05523	0.6
127.03854	0.3
127.07744	0.5
127.08672	2.0
129.06555	1.7
129.10233	4.8
130.04994	2.1
130.06520	0.4
130.08649	0.7
131.08537	0.3
131.11786	0.6
133.06129	0.9
135.04434	0.3
136.07553	4.6
138.06462	0.3
138.09134	0.8
139.08638	0.3
140.06987	0.3
140.08089	0.3
141.10226	1.3
143.11790	0.7
144.06531	0.6
144.82159	0.3
145.00720	0.3
145.02811	0.4
145.10135	0.3
146.06096	0.3
147.04398	1.0
147.07632	2.1
147.11356	0.4
155.08138	3.3
155.11786	0.5
156.07639	2.3
157.09683	0.6
159.09160	0.3
161.05988	0.3
161.09279	0.5
162.06659	0.6
163.03889	1.1
164.07095	0.4
169.09734	1.1
169.13336	1.7
171.11325	0.5
173.09171	1.3
173.12898	0.8
175.10782	1.1
177.05435	0.6
180.06781	0.4
181.09792	0.4
183.11433	0.7
183.14903	22.3
184.15202	0.5
185.09218	0.7
185.16484	0.6
186.12436	1.1
187.10765	0.9
197.09123	0.5
197.12912	1.0
200.13850	0.5
201.12386	0.5
203.10228	2.4
203.14017	0.7
211.14383	10.4
212.10304	0.4
213.12161	0.4
213.15976	0.8
214.11894	0.9
215.13913	1.6
217.06522	0.3
226.11812	5.6
228.13289	0.4
228.17062	0.4
229.18001	0.3
233.16611	0.4
242.14964	2.3
244.12939	1.0
247.19064	0.3
248.16455	0.3
251.15195	0.4
254.15059	0.7
265.20242	0.4
268.16586	0.8
269.16107	0.5
272.15958	0.4
277.44104	0.3
282.21472	0.3
286.17511	2.0
300.19098	5.4
310.21167	2.3
311.17261	0.4
311.20694	3.4
325.18726	0.8
329.03152	0.3
339.20227	6.5
339.23788	0.6
341.21786	1.4
351.11572	0.3
367.23508	1.0
385.24408	8.5
385.29178	0.5
386.70914	0.3
396.26062	0.5
397.23099	0.3
408.26907	0.4
410.27609	3.0
414.23541	1.0
424.25391	0.4
438.27087	6.3
512.78821	0.3
513.18896	1.4
513.30469	5.5
514.29474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.7
55.05492	2.2
58.06583	1.2
67.05476	3.4
69.03418	1.4
69.07063	4.4
69.60972	7.4
70.06585	14.3
71.04940	1.2
72.08128	2.4
72.57300	0.8
79.05473	2.4
80.05000	0.8
81.07043	6.1
82.07364	0.9
83.04953	1.1
83.08603	1.2
84.04469	1.5
84.08125	3.6
85.02896	1.6
86.09697	5.2
91.05434	2.1
92.05794	0.8
93.05780	0.9
93.07018	3.0
94.06551	1.9
95.04957	1.3
95.08587	5.0
96.04441	1.0
96.08104	2.6
97.02876	1.1
97.06482	0.9
97.10115	1.0
98.06045	1.2
101.65048	0.8
101.78271	1.0
105.07010	2.8
107.07332	0.9
107.08588	1.6
108.04462	5.3
108.08105	1.8
109.10162	0.7
110.06015	0.9
110.07168	1.9
111.06805	1.5
112.07549	0.8
117.28918	0.9
119.08544	2.0
120.08079	3.4
121.10130	1.0
122.06052	1.4
122.09637	1.3
124.07555	1.1
129.10242	1.4
130.05058	1.0
131.08568	0.9
133.10045	1.0
140.07010	1.9
150.05496	1.4
161.09689	0.9
168.06534	6.2
174.05518	1.4
180.85287	0.8
213.06477	1.3
213.10112	1.1
220.14922	1.1
220.16884	6.3
221.17317	2.1
222.18500	7.3
223.18839	1.8
225.10281	1.0
226.08748	1.1
227.08232	1.3
238.17960	11.8
239.08083	5.7
239.11705	1.5
239.18454	5.3
239.68942	0.9
240.19551	16.2
241.09682	2.0
241.19939	4.8
244.18045	0.9
249.10146	4.2
250.08635	1.3
251.08194	2.9
252.09019	0.9
253.09680	8.5
254.17557	1.2
256.19168	1.9
263.07980	0.9
267.08871	1.0
267.11304	6.3
268.09521	2.9
269.09158	3.8
272.18478	1.1
277.09714	5.3
278.08258	0.9
279.07849	1.1
280.08521	1.1
281.09171	25.6
282.10098	1.7
283.10873	1.5
285.12503	1.9
291.11426	2.2
291.14990	1.1
295.10764	17.3
296.09079	1.0
297.08911	0.8
297.12320	1.0
304.12277	1.5
305.09381	1.6
305.12848	6.2
311.10284	2.8
312.11002	3.1
313.11816	4.8
315.10907	1.0
318.14713	1.5
319.10965	1.9
319.14438	8.9
321.12238	1.2
323.10135	9.2
329.12292	1.2
332.11551	1.6
333.12286	5.0
333.16058	3.1
335.13818	1.5
341.11276	10.9
343.14383	1.0
344.13239	1.4
346.14148	2.9
347.13843	15.0
361.11774	1.5
361.15527	11.5
363.16992	2.4
369.10703	1.6
371.13788	1.1
374.14581	2.9
375.13272	12.7
383.12384	2.1
388.16797	1.4
389.14975	17.9
391.16498	2.1
392.15469	2.4
401.13373	23.8
403.12793	1.3
406.17511	1.4
407.16031	12.0
416.16095	3.4
417.14420	15.2
419.15894	1.3
421.18253	0.8
425.17096	1.8
434.17172	8.3
435.15457	12.6
441.26721	0.8
444.15588	0.9
445.13657	2.3
452.18109	23.1
462.16504	6.3
463.14926	7.6
467.18015	8.0
475.35126	4.9
476.35516	11.7
477.16620	1.4
480.17627	14.9
481.15619	0.9
494.19254	10.9
494.34628	4.9
495.17496	12.1
498.18704	1.1
503.35092	1.1
511.37216	4.9
511.84991	8.0
512.20227	100.0
512.35828	17.3
512.85559	1.7
513.20526	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	511.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.05019	0.6
57.07057	0.5
58.06586	1.4
67.05496	3.6
69.03412	0.5
69.07049	1.1
70.06585	9.1
71.22036	1.1
71.52351	0.3
72.08155	1.4
79.05485	2.0
81.03407	0.5
81.07042	3.5
82.06576	1.0
83.08611	1.2
84.04491	0.7
84.08131	14.2
85.02888	0.4
85.06532	20.0
86.09695	1.0
91.05473	1.4
93.07036	1.6
94.06547	0.6
95.04910	0.4
95.08585	3.2
96.08101	1.2
97.06504	0.7
97.08922	0.4
97.10172	2.4
98.09660	1.1
99.98550	0.4
102.09165	4.8
105.07014	0.7
107.08580	1.9
108.08129	0.6
109.06490	0.7
109.10123	0.7
110.07133	0.8
111.08099	0.5
119.08547	0.8
120.08103	1.0
120.10193	0.9
121.06441	0.5
121.10117	0.7
122.09715	0.3
124.11249	1.3
125.09606	1.5
131.08463	0.6
136.07570	0.6
137.06020	0.4
147.11674	0.5
153.09149	0.6
170.11761	3.7
179.10634	0.4
188.66438	0.3
210.18390	0.4
220.17006	1.6
221.20117	0.8
222.18498	22.3
223.18788	0.4
224.16460	0.9
236.16383	0.7
237.14937	0.5
238.17964	4.4
239.18774	0.4
239.21170	0.6
240.19548	34.7
241.20076	0.5
254.17500	2.1
258.20770	0.6
272.18542	12.2
287.88779	0.4
301.05246	0.3
309.54907	0.4
323.27048	0.9
475.35303	6.5
476.35736	0.4
480.17328	0.6
493.36325	12.7
494.36230	0.5
511.37375	100.0
512.20325	1.0
512.37537	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	511.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05502	4.4
56.05013	2.2
58.06589	2.5
65.03941	0.6
67.05489	6.1
68.05018	1.4
69.03421	0.8
69.07063	2.8
70.06580	16.9
70.88091	1.0
70.88485	1.1
72.08141	1.7
74.06075	0.8
75.11525	0.4
79.05475	3.0
81.07042	6.1
82.06563	1.2
83.04961	1.5
83.08607	2.6
84.04488	1.1
84.08130	2.8
85.02873	0.8
85.06516	1.1
86.06046	3.1
86.09679	1.9
91.05463	2.1
93.07026	2.9
94.06567	0.6
95.04937	0.6
95.08585	7.2
96.08099	2.1
97.06472	0.7
97.10160	2.9
98.09637	0.6
105.07020	2.1
106.06535	0.7
107.04900	0.6
107.08579	2.0
108.08064	0.9
109.06487	2.2
109.10155	1.1
110.07168	1.0
110.09680	1.2
117.06993	0.7
119.08575	1.2
120.08093	1.6
121.06506	0.6
121.10135	1.0
122.09630	0.8
122.11654	0.5
123.08153	0.5
125.09628	1.7
129.10243	0.6
131.03519	0.4
131.08530	1.1
131.95778	0.5
133.10124	0.9
135.07985	0.5
135.11644	1.0
138.09082	0.6
141.08473	0.4
145.10132	0.7
147.11618	0.5
152.06903	0.5
159.11685	0.9
160.11162	0.8
173.13260	1.1
183.11621	0.6
213.10121	0.5
218.15390	1.2
219.13840	0.7
220.16914	3.2
221.20074	4.1
222.18497	35.1
223.18832	0.9
234.99005	0.6
236.16473	3.5
237.14815	1.8
238.17998	6.3
239.18690	2.4
239.21202	3.3
239.68939	0.5
240.19566	9.7
240.21852	1.0
241.20036	0.5
254.17430	3.0
272.18539	3.0
304.67712	0.5
425.12857	0.5
457.34442	0.8
463.35266	1.7
475.35257	26.3
476.35504	1.0
493.36282	60.5
494.36646	2.1
511.37347	100.0
512.37689	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	512.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.8
55.05503	1.5
56.05010	1.5
58.06580	0.9
67.05476	2.6
69.03409	1.4
69.07050	3.2
69.44522	6.5
70.06583	16.9
71.04959	0.8
71.43957	0.6
72.08133	2.1
74.06071	1.2
79.05463	1.5
81.03413	0.7
81.07049	4.6
82.06566	1.0
82.72617	0.6
83.85049	0.6
84.04491	3.1
84.08123	4.5
85.02887	1.4
86.06042	1.1
86.09686	6.3
91.05477	4.1
92.05785	0.5
93.07027	1.9
95.04943	0.9
95.08600	3.0
96.08120	1.4
97.02898	0.6
97.10150	0.7
102.05518	1.3
105.06987	0.8
107.07283	0.7
107.08533	1.0
108.08079	1.9
109.02830	0.6
110.07150	2.0
110.09669	1.2
111.08019	0.7
112.08696	1.0
119.08514	0.9
120.08080	3.6
122.09623	1.1
124.07578	2.0
126.09144	2.4
129.10219	1.6
130.02878	0.6
130.06502	0.7
131.08138	1.1
132.08034	0.7
135.08055	0.7
136.07588	1.5
144.06519	0.8
145.10098	0.9
147.04355	0.6
149.09473	0.7
152.07033	6.0
159.11476	0.6
166.08656	0.7
182.09666	0.7
183.09178	0.9
184.07538	0.7
192.02928	1.2
197.07066	8.9
197.10779	0.8
199.08701	1.5
204.02925	2.0
205.03642	0.7
210.09225	0.7
211.08638	8.1
213.10187	1.8
217.62317	0.6
218.15538	1.0
220.16983	4.9
221.17297	1.7
222.03975	2.0
222.18495	3.4
223.18840	0.7
225.06554	11.8
225.10069	5.6
226.07394	1.2
227.08170	2.0
227.11749	1.3
235.08650	1.2
238.17990	9.7
239.08109	21.9
239.11809	0.8
239.18521	4.8
240.08894	1.8
240.19511	10.4
241.06038	0.7
241.09807	1.0
241.19911	3.2
243.07724	1.9
243.11290	0.8
245.12839	1.2
251.07928	0.8
253.05980	1.8
253.09674	10.1
254.10193	1.0
255.07637	2.8
255.11176	2.1
256.18924	1.6
257.09207	7.3
263.08118	1.0
265.09436	0.8
267.07602	19.7
267.10803	1.1
268.07758	0.6
269.09262	1.1
271.07483	1.1
271.10803	4.7
272.18475	1.2
273.08716	1.7
281.05624	3.0
281.09186	12.8
283.10776	2.1
283.66556	0.6
285.08685	3.8
285.11530	0.6
287.10114	0.9
293.09308	1.0
295.07092	4.7
297.08636	1.1
299.06912	1.0
299.10117	6.7
301.11816	1.3
309.08667	31.2
310.09088	1.1
311.10214	5.8
313.08170	2.0
318.12549	0.8
319.69086	0.8
327.09698	43.0
328.10175	1.0
329.11356	3.3
331.09274	1.7
331.13028	0.6
337.08142	6.0
341.11414	0.7
343.13354	0.9
345.10773	7.6
346.11771	1.2
346.15714	0.7
355.09189	27.0
358.11212	0.6
360.13293	0.7
361.13910	3.7
369.10806	8.9
373.10269	14.2
373.14639	0.8
378.14328	0.7
387.11807	100.0
388.12216	2.4
434.17020	3.0
438.16208	0.7
462.16599	5.7
475.35309	1.4
476.35544	9.2
477.36749	1.9
480.17578	20.5
494.19211	7.3
494.35614	1.3
503.34848	0.8
511.37677	0.8
511.84409	3.4
512.20294	6.6
512.36194	13.5
512.85461	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	511.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.5
55.05502	3.0
56.04995	1.6
58.06589	2.8
58.61262	0.3
60.72256	0.4
65.03915	0.5
67.05492	5.4
69.07056	2.6
69.37610	1.7
69.38031	1.9
70.06582	15.6
71.04946	0.5
72.08144	1.8
79.05490	2.7
80.05014	0.4
81.07047	8.8
82.06531	1.7
83.08577	1.5
84.04443	1.1
84.08134	2.7
85.02852	0.5
85.06499	0.5
86.06023	0.6
86.09693	2.0
91.05434	1.4
93.07033	2.6
93.50957	0.3
94.06528	0.9
95.08000	0.4
95.08589	7.8
96.08107	2.2
96.42061	0.4
97.06501	0.8
97.10124	0.8
98.06016	0.6
98.09677	2.6
105.07022	1.9
106.06514	0.6
107.07293	0.6
107.08573	2.7
108.08058	1.2
109.06464	0.7
109.10131	2.4
110.07144	0.8
110.09657	1.0
110.79735	0.3
112.07660	0.4
112.86893	0.3
115.08752	0.3
119.08544	0.7
120.08070	1.8
121.10085	1.3
122.09631	0.5
123.11658	0.8
124.11190	0.8
127.25779	0.4
129.09222	0.3
132.08090	0.4
133.10054	0.5
135.11610	0.5
136.07530	0.5
140.10623	0.4
145.10057	0.7
147.11623	0.7
147.90320	0.3
170.11703	0.4
187.14780	0.4
188.94559	0.4
194.19026	0.8
206.15369	0.8
208.16901	1.4
212.16400	1.1
218.15419	2.2
220.16905	2.8
222.18489	26.8
223.18864	0.6
226.18037	0.6
236.16359	2.9
238.15727	0.6
238.17973	7.9
238.20395	0.4
239.18547	0.4
240.19543	98.8
241.19910	2.4
254.17444	4.1
256.19012	0.8
258.20621	0.4
272.18524	20.6
273.18900	0.6
350.28946	1.4
433.65878	0.4
475.35300	8.9
476.35596	0.5
493.30154	0.2
493.36307	8.5
511.37357	100.0
512.38104	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	511.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03254	0.4
55.01858	0.7
55.05511	3.3
56.05030	2.5
57.03402	0.6
58.06582	0.7
60.04519	5.4
61.01125	0.5
67.05501	2.9
68.04996	1.3
69.03407	1.1
69.07064	4.1
70.06586	21.1
71.04963	1.1
71.06886	0.8
71.11686	0.9
72.08152	6.1
74.06042	1.4
79.05492	3.7
80.04992	1.3
81.07057	4.8
82.06541	1.8
82.07358	0.4
82.18676	0.4
83.04947	0.6
83.08582	1.0
84.04498	3.2
84.08134	5.9
85.02896	2.5
85.06492	1.2
86.09702	9.2
87.05568	1.0
87.10004	0.5
88.03963	0.9
91.05470	2.6
93.04475	0.6
93.07034	3.5
94.06571	3.2
95.04942	1.0
95.07350	0.5
95.08581	3.5
96.08125	4.5
97.02856	0.9
97.06493	0.6
97.10131	1.1
98.05981	0.7
98.09663	1.1
99.04411	1.4
102.05482	1.2
104.05289	0.9
105.07017	2.1
106.06571	0.5
107.04893	0.4
107.07299	1.7
107.08569	3.5
108.08114	5.3
109.02866	0.6
109.06504	1.1
109.10109	1.3
110.07151	7.1
110.09651	1.4
112.08746	0.5
116.07085	0.6
117.06994	0.6
119.04910	0.5
119.08550	1.3
120.08096	7.0
121.10091	1.6
122.09624	2.6
122.10416	0.7
123.08087	0.7
123.10418	0.5
123.11646	0.7
124.11189	1.5
126.05558	0.5
127.03844	0.5
127.08665	0.7
129.10228	2.9
130.04988	0.7
130.06503	0.5
131.08551	0.7
132.08046	0.5
133.06099	0.8
133.10118	1.1
135.11653	0.5
136.07533	2.2
136.11172	0.6
137.09521	0.7
145.10074	1.3
148.06099	0.5
148.11078	0.5
149.13196	0.6
155.11833	0.5
159.09184	0.7
160.11125	0.5
161.18330	0.5
162.05583	0.5
166.08656	0.6
170.11685	0.5
173.13051	0.6
174.12827	0.6
178.13342	1.0
182.12541	0.5
183.14897	0.4
183.98836	0.5
187.10689	0.6
190.16010	0.5
192.13997	0.4
192.17493	0.9
195.11363	0.4
197.12801	0.5
201.12378	0.6
202.15904	1.3
205.12289	0.5
211.14430	1.1
217.89520	0.4
218.15401	2.0
219.11591	0.8
220.16937	25.0
222.18526	6.8
223.15524	1.0
226.15143	0.5
227.16322	1.0
227.19978	1.1
228.16783	0.9
236.16469	3.4
238.17992	74.1
238.68172	2.4
239.18315	1.8
240.19588	14.4
247.11073	0.7
251.14888	2.1
254.17484	1.6
256.19070	3.4
272.18509	1.9
331.26718	1.3
341.14954	0.6
343.95953	0.4
346.18024	1.0
348.27493	1.6
349.27719	3.6
449.77521	0.5
475.35281	100.0
476.35590	3.2
493.36353	19.1
511.15833	1.7
511.32355	2.0
511.37314	2.1
512.20435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.05031	1.9
59.75482	0.3
66.88414	0.3
67.89287	0.2
69.04549	0.4
69.07046	0.6
70.06582	7.7
70.80766	0.9
70.81113	0.3
72.08147	1.4
74.06062	0.5
80.45912	0.2
81.04505	1.5
82.05306	0.7
83.05617	0.5
83.06090	8.1
84.04488	1.8
84.08128	2.6
85.02882	0.3
86.09695	18.1
87.05573	0.3
87.10024	0.4
93.04522	4.9
95.06080	7.6
95.27893	0.3
102.05501	0.8
104.05300	0.3
107.06082	0.3
110.07150	100.0
111.07473	0.6
112.07587	1.2
119.04900	0.5
120.08062	0.9
121.03934	0.8
122.07125	0.7
123.05536	0.7
127.08656	0.4
129.10243	1.0
130.05006	0.7
136.07564	4.0
137.07863	0.2
138.06607	5.1
140.07051	0.5
141.10167	0.3
146.09691	0.3
148.06038	1.0
156.07751	0.5
161.10692	0.5
166.06107	1.1
173.12857	0.4
178.13371	24.4
179.13734	0.3
190.13239	0.3
199.18019	2.6
201.12300	0.5
206.12854	3.3
219.13409	0.4
223.15514	26.7
224.15845	0.6
227.17603	1.9
233.13980	0.9
234.12401	0.9
251.15001	42.4
252.15302	1.0
261.14386	0.4
265.11841	0.8
293.11304	0.6
301.20224	0.9
318.22812	0.9
328.21265	0.7
346.22351	7.1
364.23352	8.1
374.22797	0.9
382.82321	0.2
493.27704	3.0
494.79355	0.3
495.20810	0.3
511.28748	26.7
512.22504	0.5
512.28992	1.1
538.28137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.44348	0.5
55.05500	5.6
57.03429	3.4
57.07067	46.4
61.02917	3.0
62.06073	2.8
67.05494	13.0
69.03416	1.2
69.06686	0.5
69.07059	9.3
69.70560	0.5
71.04978	0.7
71.08620	35.1
71.68079	0.9
72.08947	0.5
73.02887	1.2
73.32783	0.5
74.79933	0.4
75.04465	2.7
81.03388	1.8
81.07043	17.6
83.08605	14.9
85.02895	5.9
85.06518	0.7
85.10170	21.9
86.09669	1.7
89.06005	1.0
91.03925	1.4
93.07007	1.0
95.08591	30.6
97.02882	3.4
97.10152	6.5
99.04428	0.9
99.08046	0.5
99.11706	1.5
103.07510	0.8
104.10735	2.8
104.59997	0.5
105.93106	0.4
109.02854	1.3
109.10139	13.8
111.11697	1.8
113.00000	0.5
113.13319	0.6
123.11688	7.1
125.00024	0.9
125.13225	1.0
127.03899	3.6
132.42345	0.4
133.10123	0.5
137.13261	2.5
139.14796	0.5
145.04926	2.0
148.06062	0.5
151.14766	1.2
165.16367	1.0
176.57214	0.5
179.17928	0.5
184.07332	2.3
203.41504	0.5
221.22554	1.7
222.87093	0.5
226.70276	0.5
238.17961	1.5
239.23662	35.0
240.23970	0.8
257.24680	3.9
275.25787	0.6
276.07004	0.5
298.27319	1.4
313.27316	100.0
314.27661	3.3
331.28366	23.3
332.28687	0.9
337.26944	0.7
383.27869	5.4
401.28900	13.6
475.34897	0.9
510.35434	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3536
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
52.72478	0.5
55.05502	1.9
56.05017	1.4
57.03424	1.4
57.07067	12.4
58.06594	1.6
59.92158	0.5
60.08153	16.5
62.06064	1.1
67.05487	3.4
69.07049	2.2
70.81776	1.1
70.82146	1.2
71.07362	5.5
71.08620	8.8
75.04458	0.6
79.05477	0.7
81.07044	4.3
83.08602	3.2
85.10172	4.9
86.09692	47.9
87.10051	0.5
89.06001	0.5
90.26119	0.4
95.08588	6.6
97.10155	1.4
98.98459	3.5
104.10728	100.0
109.10129	3.1
113.13269	0.5
119.57208	0.5
123.11676	1.1
124.99982	28.0
151.14848	0.6
184.07315	99.9
238.17967	1.4
239.23665	4.8
257.24710	0.8
258.11081	1.2
313.27307	20.1
327.28873	1.9
331.28452	4.4
337.27432	0.7
344.39426	0.5
423.86926	0.5
475.35248	0.9
492.34436	10.1
510.35495	46.1
511.36057	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	510.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
53.83818	0.5
55.01855	2.8
55.05503	4.4
57.03431	2.3
57.06789	0.7
57.07065	3.0
61.02918	1.3
62.09712	0.5
63.20829	0.4
67.05504	3.7
69.03423	5.4
69.07059	13.6
69.59054	3.4
69.59468	1.0
70.06583	5.0
71.04980	2.3
71.08620	4.5
72.08155	1.1
73.02913	3.8
79.05486	1.9
80.23288	0.5
81.03414	5.6
81.06570	0.9
81.07043	15.6
82.06546	0.9
83.04975	1.6
83.08605	4.2
84.04497	0.7
84.08125	1.3
85.02892	24.5
85.06525	3.0
85.10166	2.0
86.09686	2.0
87.00820	5.2
88.03947	0.8
91.05463	2.2
93.07027	3.3
95.04975	0.6
95.08594	6.9
96.08119	0.5
97.02880	4.7
97.06532	1.7
97.10178	0.8
99.04446	6.0
99.08100	0.8
101.02373	7.0
101.06013	0.5
105.01860	3.6
105.07026	6.6
107.08579	5.6
109.02872	3.6
109.06493	3.4
109.10132	1.8
110.07154	0.9
110.10467	0.6
111.08086	1.5
113.05968	1.3
113.14661	0.5
115.07552	0.8
117.01859	1.1
119.08569	3.2
120.08122	1.3
121.10126	9.1
123.08079	3.8
123.11690	19.8
125.05979	0.7
125.09592	0.6
127.03892	6.1
127.07537	6.1
129.01828	0.9
129.09142	0.5
129.10150	0.7
137.13226	1.7
139.07501	0.6
141.09108	2.4
145.04942	2.1
145.10034	0.5
147.10484	1.2
147.11665	26.0
149.13181	0.5
155.14302	4.9
159.02838	2.0
159.11752	0.5
165.12735	16.5
166.13136	0.6
173.13103	0.6
183.13786	68.4
184.07332	0.6
184.14096	1.1
190.86288	0.5
201.14835	100.0
202.15164	1.4
220.16890	1.4
222.18500	2.8
223.18810	1.0
227.16296	1.2
231.04961	0.5
238.18005	3.6
239.18507	2.4
240.19484	5.4
241.19872	2.4
254.21124	0.5
474.32571	0.5
475.35083	1.0
492.35086	2.6
510.34988	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	509.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
55.01846	1.2
55.05503	5.7
56.05001	1.3
57.03415	0.6
57.07052	0.8
58.06594	2.5
67.04218	1.8
67.05499	5.6
69.03421	2.0
69.07050	3.5
69.83006	2.8
70.06580	21.8
71.04956	1.2
71.06902	1.0
72.08135	2.4
73.02898	0.5
74.06054	0.5
78.62990	0.5
79.05492	3.3
81.03383	1.8
81.06591	0.6
81.07040	8.3
82.06565	32.2
83.04961	3.0
83.06905	0.4
83.08597	2.5
84.04469	0.8
84.08129	3.1
84.42528	0.4
85.02896	3.2
85.06499	1.7
86.09695	3.3
87.00801	1.5
89.06022	0.8
91.05473	2.4
93.07018	3.1
94.06554	0.9
95.04943	1.3
95.08591	7.9
96.08110	2.4
97.02846	1.5
97.10159	2.3
98.09652	1.5
98.21394	0.9
99.04375	0.7
100.07093	0.4
100.07607	5.1
100.11235	0.9
101.05981	0.6
105.01826	0.9
105.07015	3.1
107.04906	0.4
107.07298	0.5
107.08578	3.2
108.04466	0.5
108.08084	1.4
109.02846	1.2
109.06495	1.1
109.10139	2.9
110.07113	1.2
110.09694	0.5
112.73141	0.3
119.08572	2.7
120.08084	6.9
121.10115	2.5
122.09626	0.6
123.08070	1.0
123.11684	1.1
124.11188	1.5
125.09594	1.8
127.03900	2.7
127.08643	0.5
129.10191	0.8
131.08501	1.1
133.08565	0.5
133.10107	1.9
134.09546	0.5
135.08035	0.9
135.11668	1.8
136.07562	0.5
140.10631	0.9
145.04922	0.9
145.10107	1.2
147.11650	1.0
149.09563	0.6
155.08177	0.8
157.10130	1.0
159.02849	0.7
159.11693	1.0
161.09538	0.6
161.13184	0.6
165.09088	0.5
166.08640	2.1
170.11720	1.5
173.13150	1.0
175.11180	0.5
175.14818	0.5
183.14838	0.6
185.13094	0.5
187.14761	0.8
194.19011	0.8
205.64325	0.4
212.10338	0.6
220.16911	3.3
222.18498	27.4
223.18806	0.8
224.16327	0.5
225.10185	0.4
231.04814	0.7
234.14867	1.0
236.16493	0.4
238.17987	8.3
238.68138	0.8
239.18694	3.0
239.68945	1.6
240.19543	79.0
241.19833	2.1
243.20799	0.7
252.15948	1.5
254.17447	0.6
254.21150	1.2
256.19043	1.4
258.20605	2.2
270.16974	5.4
272.18423	1.3
289.21539	0.9
315.19629	0.5
410.28864	0.9
465.92151	0.4
473.33646	1.2
491.27655	0.5
491.34656	13.5
509.35736	100.0
510.18414	0.7
510.36026	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	509.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.7
56.05019	0.6
57.03418	0.5
58.06577	0.4
63.03419	0.2
67.05495	2.7
69.07053	2.6
69.72228	2.1
70.06578	3.8
70.38296	0.3
72.08112	1.0
74.06033	0.3
79.05466	2.7
80.04983	0.7
81.07050	2.3
82.06547	1.4
83.04956	0.3
83.08592	0.9
84.08132	14.0
85.02888	0.4
85.06532	18.3
86.09659	1.1
91.05477	1.5
93.05758	0.3
93.07024	2.1
94.06567	2.2
95.04952	0.5
95.07352	0.4
95.08573	1.2
96.08112	2.4
97.10136	1.7
98.21458	0.6
102.09169	4.8
103.07561	0.4
105.06981	1.2
107.07326	1.3
107.08566	2.0
108.08093	4.8
109.08868	0.6
109.10117	0.6
110.07109	0.5
110.09630	1.0
117.06992	0.4
119.08546	0.8
120.08093	2.7
120.10183	1.4
121.08820	0.4
121.10116	0.6
122.09652	3.1
124.07579	0.3
124.11237	1.6
125.09599	1.1
131.08481	0.4
133.10106	0.3
134.09627	0.9
135.08025	0.5
135.11580	0.3
136.07585	0.4
136.11160	0.7
143.08517	0.4
145.10042	0.6
146.09618	0.3
152.10678	0.6
160.11334	0.3
163.11217	0.3
170.11740	3.4
174.12819	0.4
176.14355	0.4
188.11252	0.3
190.15915	0.3
192.17438	1.1
202.15883	1.0
203.55637	0.3
218.13583	0.2
218.15295	1.4
219.18498	0.6
220.16936	24.8
221.17305	0.3
222.18518	1.3
223.55722	0.3
224.16446	0.5
227.39337	0.3
236.16338	0.8
237.19548	0.4
238.17978	36.0
239.18547	0.8
240.19487	1.1
252.19540	0.4
254.17526	2.3
254.21191	2.5
256.19031	3.8
272.18518	10.3
301.21051	0.3
304.44086	0.3
321.25357	0.6
407.28940	0.8
408.27277	0.5
425.29688	0.3
473.33716	0.7
491.34793	4.7
509.35742	100.0
510.36243	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72698	0.8
52.61308	0.8
55.05491	1.9
56.05021	1.4
58.06585	1.7
67.05477	4.1
69.07043	2.6
70.06587	6.9
71.60526	2.1
79.05466	2.6
80.04976	1.0
81.07040	4.7
82.06560	1.2
83.08617	1.4
84.08141	1.8
84.23294	0.9
91.05470	2.3
93.07011	3.2
94.06549	3.0
94.07293	0.8
95.08582	3.7
96.08110	1.9
99.73902	0.9
105.07025	2.1
107.07325	1.7
107.08565	1.8
108.08089	6.7
109.10133	2.6
111.02657	2.8
119.08562	2.1
122.09618	2.4
131.08539	0.9
132.49568	0.9
147.11809	0.9
148.11189	1.0
154.12225	2.5
154.82472	1.0
172.13306	1.8
190.15839	1.9
204.13850	1.2
218.15369	5.2
220.16904	6.4
222.14813	1.1
222.18509	10.1
236.16411	8.6
238.17993	14.3
240.19559	40.1
252.14098	5.2
254.17506	1.1
254.21136	2.3
256.19205	1.1
270.15204	16.5
272.16714	1.4
339.20676	0.8
454.91730	1.1
491.34698	1.1
492.58905	1.2
509.33966	100.0
510.34219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01859	8.0
55.05505	14.2
56.05018	3.2
57.03424	5.2
57.07067	3.7
58.06594	4.3
59.67096	1.4
59.96260	1.7
61.02910	5.0
65.03908	1.9
67.05495	21.9
68.99782	2.6
69.03419	39.0
69.07060	18.9
70.06584	36.0
71.04977	10.4
72.08145	16.5
72.81088	1.7
73.02915	8.4
79.05486	13.4
81.03411	29.0
81.07047	34.5
82.06573	20.9
83.04958	2.3
83.08600	11.4
84.04492	3.6
84.08124	8.4
84.72682	1.4
85.02892	61.2
85.06524	10.7
86.09692	7.0
87.00820	22.9
87.04456	2.9
89.06042	3.6
89.40678	1.5
91.05471	11.0
93.07040	14.4
94.06557	4.6
95.04969	5.2
95.08591	33.5
96.08131	5.1
96.08930	1.8
97.02879	22.4
97.06551	2.3
97.10156	8.1
98.09670	1.9
99.04440	16.0
99.05008	2.1
99.08097	3.2
103.05435	1.6
103.27793	1.7
103.54227	1.4
104.05347	5.1
105.01838	16.6
105.07030	16.2
107.04951	2.0
107.07347	2.1
107.08582	17.4
108.08125	6.1
109.02870	37.2
109.06546	3.0
109.10140	17.2
110.07175	2.7
110.09682	3.8
111.08021	1.5
113.09662	4.4
115.03953	2.2
117.01781	3.3
117.07021	4.1
119.08574	21.1
120.08086	15.4
121.06457	2.7
121.10120	17.5
122.09644	3.0
123.08105	2.5
123.11675	10.9
124.11195	1.9
125.09638	2.1
127.02956	3.1
127.03902	57.7
128.04192	1.9
129.01843	5.8
129.10246	3.2
131.08530	12.8
131.73311	1.9
133.08585	3.2
133.10100	26.4
135.07983	1.8
135.11674	13.1
136.07568	2.6
137.13219	3.3
141.12729	3.1
143.08554	5.7
145.04945	17.9
145.10114	19.0
147.02849	4.1
147.11667	10.2
149.09581	3.1
149.13293	3.0
151.14799	1.8
152.07034	1.8
155.08366	2.1
157.10072	4.0
158.09869	2.1
158.11006	2.1
159.02873	22.4
159.11691	17.3
161.13269	5.2
171.11693	3.4
172.12547	2.4
173.11844	1.6
173.13243	23.5
175.14821	12.3
177.16309	2.1
180.10213	5.0
183.11743	2.0
185.13272	4.0
187.14818	13.7
191.14323	1.8
199.14729	1.7
201.16351	12.9
203.12164	5.6
203.17979	3.2
206.64661	1.7
211.14795	3.3
213.03873	2.3
220.16965	14.4
221.17323	2.8
221.69258	1.6
222.18507	30.0
225.22110	9.2
231.05006	10.8
231.11595	7.6
238.17982	42.9
238.68163	5.4
239.18648	10.0
239.68906	2.6
240.19551	100.0
241.19757	4.0
243.21043	26.9
243.22990	2.0
246.17894	2.5
254.17673	1.8
254.21198	2.5
256.19141	5.3
258.20547	3.7
259.20535	3.8
261.22067	8.9
270.16971	2.1
271.20563	2.0
272.18658	4.6
279.17062	2.6
285.22150	2.9
303.23199	2.0
315.23206	2.1
331.24460	1.6
344.33322	1.7
351.23022	1.9
423.28149	1.6
477.37100	2.4
491.27209	3.5
491.34692	40.7
509.35602	84.2
510.34308	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	509.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.05488	1.6
55.64002	0.7
56.05026	42.1
60.04505	2.8
60.05643	0.7
61.00827	1.4
61.01141	27.0
68.05019	15.3
69.03407	1.7
69.07051	1.4
70.02938	1.0
70.06580	26.3
71.02374	1.3
71.02721	1.3
71.06902	1.7
72.08147	10.2
74.06065	3.8
75.02686	1.6
75.05595	1.2
81.04526	0.8
81.07073	1.0
84.04503	8.2
84.08130	12.8
85.02891	2.4
85.04031	0.9
85.07666	1.8
86.09698	10.3
87.05585	6.3
88.00036	0.8
88.03974	2.1
89.83502	0.7
91.05465	2.0
94.06549	3.2
96.04475	4.6
97.07650	1.3
99.05563	4.7
102.05518	2.3
104.05313	100.0
110.07172	5.0
112.07601	0.8
112.08723	1.3
113.07112	91.5
114.05517	0.8
114.07411	1.1
115.05045	3.9
115.08638	0.8
116.05333	2.9
116.07151	1.0
119.04917	1.4
120.08083	11.9
120.08916	1.0
123.05518	0.9
123.09166	2.1
124.03948	1.0
125.07115	2.7
127.03961	1.3
127.05015	1.6
129.10225	7.5
130.04984	2.4
136.07573	7.2
137.05933	0.8
137.07875	1.1
141.06587	2.9
142.06847	2.5
144.04764	1.3
144.06561	1.1
147.04407	1.7
147.07671	2.1
151.08643	6.8
153.06589	2.9
156.07564	0.8
157.09767	0.9
159.07646	4.5
159.09013	1.0
161.07416	23.0
169.06068	0.8
170.09294	1.2
172.04283	1.0
172.07146	1.3
173.07417	5.5
177.05408	0.8
183.05896	1.3
187.07018	0.7
189.06905	18.8
190.05302	1.0
198.08766	1.4
199.05309	1.1
199.07115	1.1
199.08984	15.1
199.10716	1.4
201.06854	5.3
202.08946	0.7
206.09457	0.9
207.07961	17.4
207.09784	1.4
207.13947	0.8
208.14011	0.9
218.09525	1.5
219.14859	1.7
221.10378	1.1
223.28244	0.8
227.08556	4.9
227.11311	5.3
228.08025	2.0
229.06413	1.0
229.11937	0.9
243.06541	1.2
245.07729	1.0
245.11186	0.9
246.09055	17.1
258.09091	1.4
264.10074	4.1
268.07388	1.0
273.12317	0.8
275.11697	2.1
284.10660	4.0
286.08514	5.3
303.11151	14.4
321.12241	16.1
323.11728	1.9
340.14410	1.4
341.12772	2.7
343.91589	0.7
358.15387	43.1
359.15750	1.2
386.14764	2.1
399.11523	1.1
406.15732	1.5
416.14011	0.9
434.15228	13.2
452.16101	0.8
461.17529	0.7
474.14575	2.0
491.16959	4.6
508.77286	1.5
509.18204	7.9
509.27747	2.7
509.76550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.8
55.03842	1.2
55.05254	1.8
55.05502	26.3
57.03440	5.6
57.06866	1.0
57.07066	11.4
57.51583	1.0
61.02900	6.4
62.06070	4.0
65.03919	1.6
67.05495	41.3
69.03420	2.6
69.07058	42.3
70.06554	1.3
70.95252	1.3
70.95609	3.7
71.04961	2.2
71.08627	7.6
73.02911	1.6
73.06544	1.9
75.04449	2.3
78.16689	1.2
79.05479	20.0
81.07043	53.5
83.04976	1.4
83.08136	2.4
83.08610	38.7
83.09103	2.0
85.02894	9.6
85.06547	1.7
85.10151	3.3
91.03945	2.7
91.05474	3.6
93.07025	26.4
95.08591	40.1
97.02876	4.1
97.06524	9.5
97.10160	26.6
98.98460	1.4
99.08073	2.4
104.10739	1.4
105.07010	1.4
107.08580	16.5
109.09451	1.3
109.10147	17.6
111.08078	7.7
111.11694	7.5
121.10125	45.9
123.11688	16.2
125.09631	3.4
127.11186	1.6
135.11671	36.5
137.13252	12.7
139.11098	3.1
145.04822	1.4
149.13223	14.8
151.14781	2.0
153.12733	2.6
155.14227	1.7
163.14854	5.7
177.16501	2.8
184.07246	2.1
215.30534	1.2
219.21046	47.5
237.22096	100.0
240.19478	1.6
245.00850	1.2
255.23135	24.9
311.25769	84.5
312.25772	1.3
329.26804	53.2
336.21115	1.2
337.27197	4.6
508.34613	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	508.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01860	0.7
55.05310	0.4
55.05504	5.0
56.05020	1.4
57.03429	0.5
59.04986	0.6
60.04512	0.5
65.03927	1.1
67.05496	8.6
68.05024	0.6
69.03404	2.0
69.07072	3.4
69.38962	4.8
70.06585	6.4
71.04984	1.0
71.06930	0.5
72.08145	4.9
79.05480	5.9
80.05001	3.1
81.03401	1.3
81.07040	9.0
82.06542	2.7
82.07355	0.5
83.04947	1.6
83.08614	2.3
84.04478	2.1
84.08131	7.3
85.02901	1.3
85.06539	1.0
86.09221	0.8
86.09700	10.7
87.10007	0.5
89.06019	2.8
91.05473	3.5
93.05807	0.5
93.07037	3.9
94.06561	3.3
95.04963	3.6
95.08599	4.7
96.08121	2.8
97.06521	1.0
97.10159	1.7
98.06038	0.7
98.09700	0.5
99.04422	0.7
100.11256	0.5
102.05531	0.6
105.07026	2.5
106.06550	2.4
107.04944	1.1
107.07357	3.5
107.08588	2.7
108.08085	3.7
109.02856	0.5
109.06506	0.7
109.10141	2.8
110.09662	1.2
111.08011	0.5
112.07540	0.8
117.06980	1.4
118.06558	0.8
119.04912	0.5
119.08579	1.4
120.08090	5.6
121.06477	0.7
121.10130	1.4
122.09645	1.6
123.08011	0.8
123.11658	0.5
124.07452	0.4
124.11234	3.0
125.09618	1.3
127.03850	0.8
129.10225	4.2
130.06503	3.5
131.08572	1.6
132.08055	2.2
133.08583	2.5
133.10114	1.3
134.09644	1.5
135.08067	0.7
135.11664	1.2
136.07552	1.6
137.06006	0.6
138.05453	0.7
138.09090	0.7
139.07526	4.5
145.10097	1.1
146.11755	3.7
147.11716	1.3
148.11205	0.7
149.09566	0.6
155.14278	1.0
157.10127	0.8
159.09145	2.7
159.11626	1.0
161.09631	0.6
163.11122	2.4
165.12724	0.6
170.11708	1.4
178.40034	0.6
190.15936	3.1
191.14388	0.5
192.13818	1.1
193.12216	0.7
200.14346	1.5
204.13840	0.8
206.15332	2.8
207.11699	0.8
208.16920	4.1
218.15376	11.6
219.13663	0.6
219.15686	0.7
220.16974	3.9
222.18501	2.1
223.18723	1.0
236.16417	17.0
237.14777	2.2
237.16890	0.6
238.17973	8.2
239.18605	3.1
239.69077	0.6
240.19556	6.4
241.19934	2.3
254.17488	7.1
256.19183	0.6
272.18570	2.1
302.11203	0.5
490.32990	4.4
508.32675	100.0
509.32745	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	508.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01866	1.4
55.05499	8.5
56.05034	4.3
56.21693	0.7
57.03417	2.7
60.04514	4.1
60.05617	0.7
61.01131	1.2
61.02907	2.1
67.05489	3.8
68.05015	1.0
69.03418	7.3
69.07066	5.4
69.43669	1.9
69.44077	5.8
70.02932	3.0
70.06578	100.0
71.04984	1.9
71.06261	0.8
71.06908	3.6
72.08141	54.6
73.02901	6.5
73.08479	0.7
74.06071	4.4
79.05482	2.7
81.03403	3.1
81.07053	1.9
82.06541	2.8
82.44225	0.8
83.04956	1.2
83.06085	1.8
84.04483	11.5
84.08125	22.8
85.02428	1.3
85.02894	14.7
85.04011	1.4
85.06548	1.7
85.08454	1.2
86.09691	36.8
87.00829	1.0
87.04447	1.3
87.05583	5.1
87.10021	1.5
88.03973	4.1
91.03944	0.9
91.05470	6.5
93.04537	1.0
93.07053	7.3
94.06535	1.2
95.04945	3.2
95.08594	3.5
96.08106	2.5
97.02871	8.0
97.06525	0.9
98.02401	2.8
98.06037	1.6
98.20711	1.5
99.04438	3.0
99.09199	1.8
101.07092	1.5
102.05528	4.3
103.05441	1.9
104.05286	3.0
104.07125	1.0
105.01846	2.2
105.07005	8.3
106.04981	1.1
107.04945	0.8
107.08572	24.0
109.02856	2.7
109.06504	2.9
109.10129	5.5
110.06033	0.9
110.07139	9.2
112.08705	1.5
113.06038	0.9
115.03893	1.5
115.05033	1.0
115.08663	2.5
116.07035	1.9
119.04903	1.9
119.08549	6.9
120.06705	1.5
120.08078	39.8
121.06493	2.6
121.08439	1.4
121.10123	3.4
122.02685	1.3
123.08039	2.6
124.03943	1.1
124.07584	2.8
127.03892	5.3
127.04740	0.8
127.08657	9.8
129.06721	0.7
129.10217	14.4
130.04967	2.3
130.06529	2.8
130.08595	3.9
130.10626	0.8
131.08495	1.1
133.06049	5.7
133.10104	10.1
135.04376	1.1
135.08041	1.1
135.11661	6.2
136.07558	28.5
137.05937	1.0
137.09593	5.6
138.12794	1.4
141.06548	1.2
141.10217	10.7
142.10533	1.1
143.08273	0.7
143.11758	1.6
144.06622	1.1
144.07994	1.0
145.04936	2.4
145.10107	1.7
147.04362	2.4
147.07841	0.9
147.11356	2.7
148.06032	2.0
149.09589	2.4
149.13220	1.0
151.07504	1.9
151.11142	1.9
155.08173	2.2
155.10564	1.1
157.09737	2.3
158.09242	1.0
159.07703	1.7
159.09209	1.2
159.11649	3.2
161.09581	4.1
161.13222	3.6
163.03850	2.3
163.11122	2.6
165.33112	1.0
167.08073	1.5
167.10635	1.1
169.09718	5.8
169.13211	1.0
171.11273	3.0
171.15149	0.9
173.09245	1.1
175.08629	1.1
177.05421	1.2
177.12685	4.9
179.10616	10.2
182.08043	1.2
183.11263	1.3
185.05531	1.5
185.09212	3.4
186.12338	27.0
187.10791	3.1
187.12688	2.6
189.12691	3.5
195.01074	3.4
195.13747	14.0
197.11693	59.7
199.10751	3.4
201.12354	1.6
203.06688	1.0
207.11333	1.5
207.13766	10.4
213.08731	2.6
214.11844	5.3
215.10280	1.5
217.09735	2.0
221.12573	1.1
223.10759	0.8
223.13306	0.8
225.14815	6.1
231.06082	1.1
231.09796	1.3
232.12883	8.5
234.12407	2.5
235.10684	1.4
235.14343	1.2
246.17986	1.3
247.12933	2.5
248.12445	1.2
249.15929	4.6
253.15866	1.0
262.11798	3.8
276.13464	1.9
277.15479	8.1
286.14038	1.1
318.15094	0.9
325.13464	0.8
328.11227	1.8
328.15088	1.4
339.08548	2.1
346.08551	1.5
346.16867	1.3
359.16907	28.2
361.18738	2.3
376.22092	2.4
377.26599	0.9
395.18396	1.1
401.20163	8.3
401.70386	3.3
443.13855	2.6
507.76944	1.0
508.23282	5.0
508.35242	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	507.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
55.05502	1.5
56.05019	0.8
57.07032	0.4
58.06585	1.3
65.23436	0.3
67.05494	3.4
69.07053	2.2
70.06580	6.7
70.96356	0.9
72.08139	1.8
76.17389	0.3
79.05480	2.1
81.07046	6.3
82.06566	1.0
83.08598	0.8
84.08142	2.6
91.05473	0.8
93.07047	2.1
94.06567	0.8
95.08594	4.4
96.08128	3.3
98.06041	0.7
98.09694	1.0
105.07010	1.4
107.08545	2.0
108.08122	0.6
109.06556	0.4
109.10126	2.2
110.09668	0.9
112.83002	0.3
119.08596	0.6
120.08060	0.5
121.10140	1.1
123.08050	0.4
124.07584	2.8
131.08563	0.7
131.15961	0.3
133.10136	0.5
137.09554	0.3
142.08621	0.5
145.10127	0.6
147.11743	0.5
147.59123	0.3
154.12257	0.5
154.66640	0.3
159.11710	0.4
187.14848	0.5
194.19064	1.2
205.15843	0.5
218.15410	0.6
220.16933	0.6
222.18494	26.6
236.16473	0.7
238.18091	0.4
240.19553	29.1
250.18047	2.8
252.19644	0.9
254.17442	0.7
268.19031	6.5
272.18594	0.4
374.30548	0.4
395.03287	0.4
461.37662	0.4
469.08005	0.3
489.36862	1.2
507.37976	100.0
508.38437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05501	5.0
56.05014	1.5
57.03415	0.6
57.07054	0.8
58.06575	1.2
59.04981	0.6
60.07080	0.4
63.38067	0.4
63.84634	0.4
65.03915	0.8
67.05497	7.3
68.05019	1.2
69.03416	1.9
69.07059	5.8
70.06580	8.6
71.04971	1.9
71.65823	0.5
71.66185	0.5
72.08132	1.4
73.02917	0.7
75.95280	0.4
79.05482	5.4
80.05006	3.3
81.03399	1.6
81.05777	0.6
81.07041	7.9
82.06562	8.0
82.07331	0.6
83.04961	1.4
83.08590	2.6
84.04483	1.3
84.08114	2.3
85.02883	2.2
85.06513	1.6
86.09698	3.1
87.00805	1.1
87.04440	0.6
89.06004	1.4
91.05450	4.1
92.02979	0.4
93.05769	1.1
93.07034	4.7
94.06552	5.1
95.04944	2.0
95.07345	0.9
95.08592	5.3
96.08121	3.8
97.02886	0.9
97.06486	0.7
97.10161	1.6
98.09647	0.7
100.07600	5.5
105.01845	0.5
105.07020	3.4
106.06526	2.0
107.04893	0.6
107.07327	3.2
107.08565	3.5
108.08102	7.2
109.02856	1.2
109.06500	1.4
109.08910	1.1
109.10126	2.8
110.06026	0.8
110.09680	2.2
111.08067	0.7
112.07551	0.5
114.20517	0.5
117.07000	1.2
119.04903	0.5
119.07307	0.4
119.08543	3.1
120.08072	4.9
121.06503	0.7
121.10093	2.1
122.05969	0.8
122.09663	4.6
123.08049	0.8
123.11696	1.4
124.07626	0.6
124.11208	2.5
125.05946	0.7
125.09608	1.2
126.09065	0.5
127.03910	1.5
129.10185	0.7
131.08528	1.3
132.08064	0.9
133.08633	1.4
133.10094	1.5
134.09598	1.8
135.08014	0.8
135.11703	1.1
137.97244	0.5
138.09155	0.5
141.12737	1.8
143.08525	1.2
145.04968	0.6
145.10078	2.8
146.09663	0.4
147.11635	1.1
148.11154	0.6
149.09615	0.8
149.13177	0.5
150.12706	0.5
151.11160	0.4
157.10101	1.5
159.11737	0.6
161.09593	0.8
161.13165	0.6
163.11137	0.6
165.09120	0.5
165.12714	0.5
170.11737	1.7
171.11626	1.4
172.11215	0.5
173.13191	0.9
175.77637	0.5
176.14301	1.5
177.12701	0.5
178.15916	0.6
180.13828	0.6
185.13206	1.7
188.14317	0.7
190.15895	1.2
192.13745	1.0
192.17432	1.3
194.15475	0.6
202.15942	1.3
204.13792	3.8
206.15376	1.5
208.13455	0.6
208.16948	0.8
218.15364	5.4
220.13350	1.5
220.16922	26.6
221.17279	0.6
222.14876	4.2
222.18475	5.5
223.13347	0.5
224.16469	1.1
234.14946	2.2
236.16377	7.0
238.17981	30.0
238.68155	1.0
239.18672	5.2
239.68869	1.2
240.15930	0.7
240.19557	15.9
241.19498	4.6
250.17960	0.7
252.15897	5.6
252.19557	1.2
254.17436	4.3
256.19012	3.1
256.45084	0.5
259.20493	1.0
270.17001	1.3
272.18677	0.8
372.16974	0.4
435.32855	0.5
453.30484	0.8
459.32065	7.1
460.31448	0.5
471.31616	1.7
477.33096	10.4
489.26929	0.8
489.33224	12.4
490.32620	0.6
507.34158	100.0
507.85736	0.8
508.33725	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	507.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86497	0.4
53.03930	0.7
55.01846	0.8
55.05499	4.9
56.05007	1.0
57.03407	1.0
57.07040	1.0
58.06574	0.9
67.04208	1.4
67.05497	5.2
68.04980	1.2
69.03416	0.8
69.07062	6.7
70.06583	10.1
70.29104	1.8
71.06954	0.3
72.08135	2.2
74.06033	0.5
79.05480	6.1
80.04987	1.2
81.07043	7.1
82.06568	28.7
83.04968	3.9
83.08614	2.0
84.04464	1.8
84.08132	1.9
85.02872	2.3
85.06532	2.7
86.09206	0.7
86.09689	9.4
87.00805	0.5
91.05462	3.5
93.07022	4.9
94.06102	0.4
94.06564	4.5
95.04919	1.0
95.08609	5.0
96.08114	6.4
97.02831	1.1
97.06486	0.6
97.10139	2.4
98.09673	0.8
99.04401	0.6
100.07603	6.1
101.97074	0.4
105.07011	3.3
106.06522	1.0
107.04842	0.5
107.07349	3.5
107.08577	4.9
108.07414	0.7
108.08100	9.3
109.02806	0.7
109.06481	0.8
109.08874	1.1
109.10130	2.6
110.07137	1.0
110.09637	1.8
110.10302	0.4
111.11650	0.4
112.07609	0.9
116.07056	0.6
117.03657	0.5
117.06964	1.4
119.08579	2.4
120.08086	8.3
121.06525	0.6
121.08872	0.6
121.10130	2.3
122.09644	5.3
123.08022	0.5
123.10409	0.7
123.11678	1.3
124.07563	0.6
124.11211	2.3
125.09596	1.6
127.03909	1.0
129.10207	0.6
131.08505	1.3
132.08121	0.7
133.10091	1.5
134.09587	1.3
135.07983	0.6
135.11647	1.3
136.07544	1.4
136.11197	1.0
137.05914	1.1
137.13219	0.8
138.09184	0.5
139.11119	0.5
143.08517	0.6
145.10042	1.4
147.11649	0.7
149.09572	0.8
149.13203	1.0
152.10663	0.5
159.11789	0.5
161.13232	3.0
163.14716	0.5
170.11739	2.6
171.11684	0.6
173.13156	0.6
174.12727	0.6
176.14301	0.5
179.14291	0.7
189.12650	1.1
190.12343	0.5
190.15848	1.2
192.13779	0.6
192.17459	1.3
201.12282	1.7
202.15857	1.9
204.13681	0.5
206.15305	0.5
207.13792	2.1
208.16792	0.4
218.15375	3.1
220.16940	37.6
221.17250	0.6
222.15016	0.5
222.18471	1.6
225.14819	3.9
229.11781	0.7
236.16412	4.2
238.17981	66.1
238.68147	1.2
239.18579	3.8
240.19563	3.9
241.19702	0.6
245.12880	0.5
247.18472	0.5
252.15961	1.3
252.19559	0.8
254.17583	2.5
256.19086	7.6
263.10074	0.5
270.16922	2.5
272.18594	1.1
279.16937	1.0
291.27115	0.6
309.27731	0.4
390.26071	0.5
408.27289	3.2
463.31702	0.7
471.31885	0.6
475.16629	0.5
485.76242	0.5
489.33185	29.9
490.33502	1.2
507.34225	100.0
508.20248	0.5
508.34418	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	507.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90217	0.4
53.03939	0.5
53.35815	0.5
53.91631	0.4
55.01858	1.1
55.05504	5.1
56.05017	1.0
57.07066	0.5
58.06576	0.6
65.03937	1.0
67.05493	8.7
68.05010	1.1
69.03396	0.4
69.07052	3.9
70.06584	3.5
71.04968	0.7
71.59358	0.7
72.08132	0.6
72.35815	0.5
76.40314	0.4
79.05476	5.3
80.05011	4.9
81.07040	6.5
82.06570	5.7
83.04956	1.0
83.08596	1.4
83.60653	0.5
84.08129	22.0
85.06539	1.2
86.06071	1.1
86.09681	1.4
89.06010	1.3
91.05463	2.9
93.05771	1.1
93.07028	3.3
94.06545	6.1
95.04946	1.3
95.08594	4.4
96.04482	0.9
96.08115	3.5
97.06503	0.9
97.10162	1.8
105.07014	2.4
106.06546	3.0
107.07335	5.3
107.08554	3.0
108.08105	6.2
109.06499	1.9
109.08911	0.8
109.10136	1.4
110.06012	0.9
110.09677	2.3
112.07597	1.6
117.06941	0.6
119.08575	1.6
120.08092	5.3
121.08875	1.1
121.10128	1.1
121.25111	0.4
122.06016	0.5
122.09647	3.8
123.11674	0.7
124.07571	1.2
124.11217	3.6
125.08345	0.5
125.09631	1.1
131.08553	1.4
132.08080	1.1
133.08727	0.6
133.10117	0.9
134.06029	0.5
134.09628	3.1
135.07999	0.5
136.07573	1.3
136.11176	0.5
137.06035	0.6
137.09599	0.5
138.09106	1.3
145.10107	1.0
148.11177	1.4
149.02419	0.6
158.09608	0.5
159.11678	0.6
161.09572	2.4
170.11761	2.1
172.11267	0.5
174.12749	0.9
176.14316	0.9
178.15839	0.6
188.14331	0.6
189.11069	0.5
190.15875	4.7
192.13814	1.2
193.04927	1.1
200.14391	1.4
204.13762	2.8
206.15332	3.6
208.16949	3.5
210.14792	0.6
218.15364	16.9
220.16937	4.0
222.14920	2.8
222.18549	0.7
224.16432	1.5
226.17998	1.6
234.14908	2.0
236.16417	29.0
237.16965	0.7
238.17993	7.2
239.18539	0.7
240.19493	2.2
252.15956	1.7
252.19614	1.2
254.17484	18.7
255.17891	0.6
256.19049	1.8
272.18552	5.6
297.27704	1.0
309.27841	0.8
354.13846	0.6
426.86438	0.5
459.32047	0.8
471.32141	2.1
475.31577	1.4
489.33176	21.3
490.33243	0.8
507.34198	100.0
508.33670	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	507.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60608	0.2
55.01854	0.2
55.05510	1.8
56.05027	1.9
57.03425	0.5
58.06577	0.3
60.04502	0.6
65.03903	0.3
67.05495	5.6
68.05015	0.6
69.03414	0.7
69.07053	1.2
70.06202	0.4
70.06583	8.3
71.06918	0.5
71.34908	0.5
72.08140	1.9
74.06068	0.7
79.05479	3.4
80.05014	2.9
81.03447	0.3
81.07040	2.7
82.06574	2.3
83.04958	0.5
83.06090	0.3
83.08607	0.9
84.04487	1.3
84.08139	3.9
85.02901	0.9
86.06051	0.5
86.09695	4.3
87.05563	0.5
89.84483	0.2
90.71195	0.2
91.05465	1.6
93.05766	0.7
93.07040	1.8
94.06551	2.2
95.04973	0.5
95.08588	1.4
96.04465	0.4
96.08105	1.1
96.09003	0.2
97.02808	0.2
97.06480	0.2
97.10148	1.0
98.06031	0.6
102.05537	0.3
103.05452	0.3
104.05312	0.3
105.07014	1.4
106.06544	2.6
107.04962	0.4
107.07336	3.2
107.08546	2.0
108.08109	1.9
109.06493	0.5
109.10138	0.3
110.06017	0.5
110.07145	0.6
110.09666	0.6
112.07627	0.5
112.08702	0.2
117.07027	0.5
118.06567	0.4
119.08570	0.8
120.08084	6.0
120.30250	0.2
121.08886	0.5
121.10138	0.7
122.02655	0.3
122.09679	0.7
123.04482	0.2
124.07585	0.6
124.11214	2.6
125.08427	0.2
125.09572	0.5
127.03969	0.3
127.05071	0.3
127.08620	0.3
129.10229	1.5
130.06519	0.5
130.08598	0.3
131.06808	0.2
131.08549	0.7
132.08095	0.9
133.10112	1.0
134.09618	1.2
135.08083	0.3
135.11678	0.9
136.07567	1.5
138.09102	0.6
141.10272	0.3
143.11795	0.2
145.10124	0.3
147.11633	0.3
148.11133	0.3
152.10608	0.5
152.14349	0.4
161.09578	0.6
162.12770	0.5
163.11143	0.5
170.11726	1.9
173.13184	0.3
174.12762	0.4
176.14296	0.4
177.12823	0.3
179.10690	0.8
180.13847	0.7
180.17459	0.4
184.13437	0.3
188.14294	0.6
190.15883	2.4
192.13849	1.0
195.13849	0.3
197.11705	4.1
198.14859	0.4
200.14258	1.2
201.12717	0.3
204.13869	0.5
206.15385	2.7
207.13809	0.5
208.16925	3.1
210.14868	0.7
215.32193	0.3
218.15373	10.4
219.13821	0.3
220.16953	0.7
222.14894	0.7
224.13786	0.3
224.16406	1.0
226.17978	1.0
228.13498	0.4
233.12778	0.3
234.14880	1.2
235.18086	0.4
236.16417	17.3
237.16895	0.5
238.17989	1.9
240.19547	0.6
241.19934	0.3
246.17752	0.6
246.67912	1.0
252.15988	1.0
253.19171	0.4
254.17480	16.5
255.17726	0.4
256.19025	2.5
258.20529	0.4
259.21066	0.9
262.11801	0.4
272.18527	7.8
274.19971	0.3
285.15576	0.3
303.11819	0.3
333.07080	0.2
359.16980	1.7
471.32251	0.7
478.31964	0.3
489.26016	0.4
489.33133	6.0
490.32083	0.3
507.34241	100.0
508.34595	4.4
530.31976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36251	1.0
53.03920	3.0
54.38455	1.0
55.01873	1.4
55.05502	9.4
57.03429	7.4
57.07074	1.7
65.03936	1.6
67.05495	37.6
69.07065	12.1
69.45782	5.5
69.46218	5.0
71.08609	2.1
72.08157	1.3
79.05055	1.7
79.05482	26.6
81.06570	2.1
81.07047	36.2
83.08599	5.4
89.06025	2.3
91.05463	13.2
91.07526	1.0
92.20198	1.1
93.07031	29.7
95.04936	2.8
95.08592	27.9
97.06494	1.4
97.10180	2.0
98.98454	40.5
99.08097	0.9
105.07017	9.2
107.07319	0.8
107.08583	16.3
109.10139	11.4
116.99500	2.1
117.06990	2.5
119.08560	9.4
121.10126	12.4
123.11670	3.7
129.06978	1.3
131.08565	6.7
133.10141	5.8
135.11685	9.8
137.13274	1.2
145.10059	3.7
147.11676	5.0
149.13240	5.6
155.01012	19.7
155.63335	1.0
159.11678	3.3
161.13232	5.1
163.14781	2.9
173.02055	6.7
173.13210	3.7
175.14836	2.6
187.14786	2.4
218.15399	2.1
229.04611	2.5
236.16338	2.1
238.17963	2.1
243.21060	5.0
247.05751	2.9
254.17474	2.6
261.22125	9.9
284.18124	1.1
317.24673	6.0
335.25757	100.0
336.25958	2.4
377.89594	1.2
471.24850	4.4
489.33240	1.7
507.34024	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	507.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05504	8.4
57.03429	8.2
57.07062	1.5
66.47093	0.7
67.05131	1.7
67.05492	31.8
69.07055	7.6
70.20660	3.4
72.84900	0.6
76.82468	0.7
79.05479	17.0
81.07040	30.0
83.04950	0.9
83.08601	3.5
85.06511	0.9
91.05463	8.8
93.07026	19.0
95.04952	1.8
95.08587	24.9
97.06504	0.9
97.10168	1.7
98.98446	21.2
105.07001	7.0
107.08566	9.0
109.10143	9.1
117.06992	2.0
119.08561	4.1
120.08003	0.7
121.10098	6.4
123.11668	2.4
125.09640	0.8
131.08545	3.4
133.10110	2.9
135.11679	4.8
145.10094	2.4
147.11662	2.7
149.13237	2.5
155.01025	3.7
159.11679	1.6
161.13219	1.7
163.14792	1.3
173.02078	4.6
173.13283	1.2
175.14772	1.0
194.99379	0.9
198.02563	0.7
220.16908	1.1
238.18002	1.1
243.21106	1.1
247.05713	1.0
254.17448	1.7
261.22034	3.4
317.24655	1.9
335.25735	100.0
336.26007	2.1
373.54941	0.7
471.24719	0.8
489.32651	0.8
507.33936	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	506.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84550	0.9
55.05503	2.2
56.05021	10.1
60.04524	3.3
61.01140	4.3
61.60867	1.0
67.05466	1.0
68.05027	1.2
69.03413	3.9
69.07050	2.2
70.02922	1.3
70.03785	3.7
70.04198	2.2
70.06577	63.2
71.04950	1.3
71.06924	2.0
71.63337	0.9
72.08137	16.4
72.57138	0.8
73.02887	1.4
73.06514	0.8
74.06071	5.7
81.03394	1.6
81.07038	1.4
82.06589	0.9
83.06152	1.1
84.04481	10.9
84.08136	16.0
85.02888	9.3
86.09692	27.3
87.04457	4.0
87.05586	2.6
87.10040	1.6
88.03970	4.4
89.06013	86.2
91.05460	3.7
93.07037	3.1
95.08607	1.5
97.02877	4.2
98.02390	1.3
98.06043	1.2
98.20775	1.1
99.04488	1.0
101.07095	2.3
102.05531	3.3
103.05412	1.2
104.05314	8.7
104.07068	1.7
105.01815	1.2
105.07012	2.3
105.54012	0.9
107.04832	0.9
107.07053	2.4
107.08588	1.7
109.02884	1.5
109.06519	1.6
110.07170	5.4
111.08061	2.0
112.08698	2.6
116.07088	1.7
119.04930	2.0
120.06592	1.0
120.08089	12.4
121.06497	1.9
123.08044	1.5
125.07079	2.3
126.05535	0.9
127.03893	2.9
127.08693	1.5
129.06596	1.2
129.10219	11.1
130.05019	5.3
130.06439	1.8
130.08633	2.1
132.07945	1.0
133.08575	47.7
133.10114	1.7
135.04297	1.2
135.08026	1.1
136.07539	8.0
137.05939	1.0
137.09572	2.2
141.10207	2.5
143.11790	1.1
145.04936	1.7
147.04375	1.9
147.07611	4.4
149.05972	1.8
153.06638	2.3
153.09081	3.6
155.08156	1.1
156.11568	0.9
159.05917	1.5
159.09175	3.2
159.11403	2.9
163.03854	2.4
163.11247	1.1
169.09769	1.5
170.09119	4.8
171.07684	1.7
173.12823	2.8
175.07538	1.0
177.05487	1.6
177.11201	15.4
177.12671	1.9
179.10722	1.2
187.10817	1.5
188.07086	2.4
189.08696	1.2
193.04930	1.3
193.12250	2.9
195.10205	1.2
199.10809	1.0
201.07060	1.1
201.12444	2.0
203.06976	1.2
205.12260	3.6
213.11133	1.5
218.09528	4.3
220.16930	2.5
221.13863	3.6
223.13286	8.8
229.11844	1.3
231.09676	1.1
238.17987	2.6
239.14876	3.7
239.18382	1.5
244.13170	1.1
246.09126	4.7
249.07739	1.8
256.19077	4.1
257.19388	3.3
258.19672	4.0
260.12497	1.3
261.14478	4.2
279.10599	1.0
279.13284	5.3
283.17419	3.5
291.08472	1.1
309.09546	1.7
320.12540	1.1
326.14105	2.2
327.20071	100.0
328.20328	1.9
344.15329	1.9
350.17072	1.0
359.17355	3.5
462.25946	2.8
506.25119	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	505.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05498	1.7
56.05014	0.4
57.03404	0.3
58.06585	0.8
61.01105	0.2
67.05496	2.8
68.97954	0.3
69.03432	0.5
69.07055	1.9
70.06582	6.8
71.04974	0.4
72.08138	0.7
79.05481	2.4
80.05022	0.3
81.03413	0.4
81.07040	5.6
82.06561	0.9
83.04943	0.3
83.08614	0.8
84.04488	0.7
84.08152	1.2
85.02876	0.8
85.06509	0.7
86.09691	2.1
91.05444	1.8
93.07023	2.7
93.84970	0.3
94.06546	1.4
95.04948	1.0
95.08593	3.9
96.08108	2.8
97.06529	2.2
97.10152	0.5
98.09664	0.3
98.21603	0.6
105.07019	1.8
106.06561	0.4
107.04929	0.4
107.07315	1.0
107.08587	2.1
108.08099	3.2
109.06479	0.3
109.08882	0.4
109.10148	1.8
110.09650	1.1
111.08072	0.3
115.05463	0.3
117.07001	0.8
119.08562	1.3
120.08091	1.9
121.08901	0.4
121.10123	1.1
122.06023	0.4
122.09651	1.6
123.08031	0.7
123.10413	0.4
123.11676	1.8
124.11209	0.8
125.09597	0.6
129.06978	0.3
129.10229	0.5
131.08514	0.6
132.08070	1.1
133.10103	0.7
134.09627	0.7
135.08099	0.3
135.11682	0.6
136.07553	1.2
136.11165	0.5
138.09111	0.4
143.08534	0.6
144.08081	0.7
145.08943	0.5
145.10107	0.8
146.09634	0.8
147.11719	0.4
148.07549	0.7
148.11087	0.3
149.09509	0.3
149.13205	0.4
150.09146	0.3
152.10632	0.5
154.12231	0.2
158.09697	0.3
159.11678	0.4
160.11159	0.3
163.11256	0.3
169.66609	0.2
170.11781	0.7
174.09032	0.4
180.13850	0.3
190.15881	0.7
192.17467	0.5
202.15938	0.9
204.13782	0.3
218.15388	2.5
220.16933	12.6
221.17261	0.5
222.15178	0.3
222.18492	7.2
223.16724	0.3
230.15340	0.8
236.16388	2.5
238.17981	13.9
239.18591	0.9
240.19543	26.0
241.19946	0.5
248.16425	16.4
252.19795	0.4
256.19150	0.4
266.17459	13.0
284.18671	0.5
307.26138	0.4
307.48547	0.3
470.32623	0.5
477.36758	2.4
487.35477	2.5
505.36270	100.0
506.36621	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76559	1.6
55.05507	8.6
57.03431	4.4
57.07072	4.1
65.32693	1.8
67.05491	11.7
67.78658	1.5
69.07057	10.1
69.17391	1.5
71.04987	1.9
71.08612	5.8
71.64111	3.7
79.05478	6.3
81.07059	16.2
81.34299	1.7
83.04951	1.6
83.08604	5.1
85.06565	2.1
91.05438	2.3
93.07028	12.0
95.04942	2.8
95.08605	18.3
97.06550	2.3
97.10154	2.2
98.98454	90.3
104.03969	1.6
105.07010	5.2
107.08582	14.1
109.06493	8.4
109.10144	9.9
111.08054	2.6
117.06920	2.0
119.08537	7.6
119.62346	1.9
121.10128	9.0
123.08044	31.7
123.11700	2.4
133.10130	3.0
135.11676	4.3
137.09612	4.6
137.13251	2.3
139.20822	1.7
147.11652	2.3
149.13194	4.0
163.14809	2.1
165.09125	2.7
167.14323	2.6
173.02077	15.1
177.16316	4.6
179.14272	29.2
193.15857	2.1
202.93983	5.6
220.16937	2.1
238.17921	4.1
277.21698	13.5
277.48093	1.7
291.23010	3.1
333.27841	100.0
334.28067	2.8
351.28754	12.0
389.30399	5.5
407.31525	99.7
487.27991	6.1
505.20602	3.8
505.29147	23.6
505.34879	2.6
505.39468	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	505.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29294	1.0
55.01853	2.3
55.05504	7.2
57.03428	9.6
63.47919	1.2
64.68033	1.0
65.03897	1.8
66.49590	1.1
67.05495	36.5
69.07055	6.7
69.84772	7.9
75.04472	1.0
77.76683	1.0
79.05480	21.9
81.07041	26.7
83.08616	2.1
91.05454	13.0
93.07032	22.7
93.07618	1.4
95.04948	4.2
95.08596	23.0
98.20856	2.5
98.98451	25.8
105.04420	1.2
105.07022	5.4
107.08588	11.3
109.10143	7.3
117.06985	2.3
119.08560	7.5
121.10084	7.4
123.11665	3.2
129.05458	11.6
131.08533	2.7
131.49611	1.1
133.10088	7.4
135.11670	2.6
145.10095	2.7
147.11659	3.4
149.13245	2.8
155.01022	6.5
159.11598	2.1
161.13275	2.9
163.14822	1.2
171.11734	1.6
173.02110	6.3
175.14742	1.7
186.69627	1.1
217.19505	1.8
220.16966	1.3
231.21060	1.7
238.17911	2.5
241.19472	1.8
259.20563	3.3
333.24185	100.0
334.24734	1.7
505.35132	1.6
505.39783	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	505.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17943	0.9
53.03931	1.3
55.01864	2.3
55.05504	7.6
56.05018	3.7
57.03421	4.0
57.07059	1.2
58.06588	2.3
61.02932	1.2
67.05494	9.1
69.03419	8.3
69.07063	11.0
70.06583	33.6
71.01360	0.9
71.04967	2.0
71.65354	1.2
71.65755	1.0
72.08140	10.1
73.02899	3.6
74.06062	1.9
78.28036	0.8
79.05488	7.4
80.05012	1.4
81.03403	4.3
81.07048	14.2
82.06596	2.0
83.04974	3.0
83.06086	2.8
83.08595	3.5
84.04491	8.0
84.08132	10.3
85.02892	13.9
85.06531	2.1
85.08425	1.0
86.09691	21.8
87.00809	2.4
87.04466	1.2
91.05467	7.0
93.07030	10.7
94.06574	3.6
94.07302	0.8
95.04961	4.4
95.08592	12.6
96.08124	6.2
97.02879	8.0
97.06528	2.4
97.08439	0.8
97.10207	1.3
99.04441	1.4
99.08085	8.2
101.07149	1.4
102.05508	1.7
103.05421	1.1
104.05310	1.2
105.01842	2.3
105.07018	7.7
106.06593	1.3
107.04902	1.0
107.07365	1.5
107.08582	12.6
107.09290	1.2
108.08110	6.7
109.02869	3.2
109.06522	2.0
109.08977	1.1
109.10143	7.9
110.07154	3.8
110.09669	2.7
111.08091	2.1
115.03897	1.8
117.07014	1.2
119.04942	1.6
119.08549	8.8
120.08081	13.5
121.10128	8.2
122.09649	3.4
123.04433	1.6
123.08049	2.1
123.11674	7.0
124.11196	2.0
125.09589	2.0
126.12787	1.4
127.03899	6.3
129.06537	4.3
129.10246	3.9
130.04984	5.5
130.08681	0.9
131.08592	2.3
132.08057	1.1
133.10115	13.7
134.09593	1.1
135.07997	1.8
135.11682	6.2
136.07523	4.2
136.11176	1.5
137.05997	5.3
137.09619	3.4
141.10205	1.1
145.04939	3.1
145.10129	3.0
146.09564	1.3
147.04440	2.3
147.07600	4.5
147.11674	3.2
149.13235	11.5
149.15836	0.9
151.07553	1.1
151.11127	1.6
153.12842	1.1
155.10579	1.1
157.10106	2.3
159.02940	1.5
159.09177	1.1
159.11696	1.7
161.05937	1.3
161.13239	1.7
163.11160	1.1
163.14806	1.2
167.07068	0.9
167.14272	1.4
171.11641	1.1
173.09572	0.8
175.11201	1.0
175.14783	11.9
177.16466	1.2
185.13058	1.0
187.14812	1.4
193.15913	5.7
202.15907	1.9
203.18024	1.0
208.16820	1.0
211.16866	10.3
213.16386	1.2
217.08278	0.9
218.15324	2.1
220.16919	18.9
221.17159	1.8
222.18504	5.4
223.13263	2.1
223.18869	1.4
229.17490	1.8
231.05017	2.2
236.16418	2.9
238.17981	100.0
238.68147	12.9
239.14090	1.0
239.16190	1.2
239.18495	14.0
239.68980	2.5
240.19571	16.8
241.19931	4.2
243.17059	4.0
244.18178	1.0
246.17943	1.4
252.19510	1.0
254.17519	1.8
256.19019	2.0
257.17401	0.9
257.21112	2.8
265.19843	1.6
307.26343	1.9
329.10309	1.3
332.12573	1.3
380.27649	1.5
409.23373	1.6
424.23892	2.9
451.31381	1.8
475.35095	1.9
477.36475	2.0
482.86682	1.3
487.35318	2.3
495.85309	1.7
504.39148	4.5
504.78531	0.8
504.85611	17.9
505.26144	5.3
505.36368	17.9
505.76462	3.1
505.86081	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	505.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.1
57.03431	3.3
57.07068	4.5
67.05496	2.1
69.07059	11.6
69.69513	2.4
71.08625	2.4
79.05450	1.6
81.07053	3.0
83.04971	0.4
83.08611	8.5
85.10152	0.7
85.54402	0.3
91.05414	0.3
93.06999	1.3
95.08598	2.0
97.06514	0.8
97.10152	6.0
97.86283	0.3
105.06976	0.4
107.08582	1.2
109.10106	0.8
111.08065	0.6
111.11707	1.8
115.03686	1.2
120.96568	0.4
121.10114	1.3
135.11642	1.1
163.14893	0.4
176.99231	4.0
195.00282	100.0
213.00124	1.0
234.18896	0.4
238.18013	0.8
240.19609	0.5
269.03922	0.3
311.25772	14.0
333.23715	0.6
413.20908	0.4
483.90335	0.4
487.24243	0.9
504.85587	0.4
505.25327	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	504.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.05501	9.3
57.03432	6.4
61.02908	5.3
67.05495	47.6
69.07050	11.4
70.06605	5.2
70.89243	4.6
71.04977	2.8
79.05482	43.7
81.07049	55.0
83.08604	7.0
85.02931	6.1
85.06567	2.9
86.17296	2.3
91.05457	30.4
93.07027	61.8
95.04982	3.6
95.08598	49.6
97.02834	3.7
97.06508	3.4
97.10204	2.8
99.08047	4.0
105.07009	20.9
107.08578	41.2
109.06513	4.5
109.10127	24.8
110.20959	2.3
111.08064	3.1
117.07004	9.1
119.08583	17.7
121.10127	46.3
122.10490	2.5
123.11694	8.3
131.08553	29.4
133.10121	27.4
135.11670	46.7
137.09610	6.9
137.13251	5.0
145.10098	23.6
147.11662	8.1
149.13251	16.3
151.11192	3.2
159.11635	12.9
169.22467	2.2
173.13278	13.2
187.14789	7.2
205.19577	5.9
213.27892	2.7
214.30083	2.4
215.17946	73.2
215.19920	5.3
233.16629	4.8
233.18983	100.0
238.18015	2.9
249.99847	2.9
251.20052	3.8
264.19699	2.8
265.19858	4.7
307.22656	16.4
325.23615	18.5
451.56137	2.3
503.84564	3.7
504.39090	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	505.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13634	3.5
52.08658	3.7
52.87244	3.6
53.03931	7.7
55.05511	4.4
60.04518	6.8
69.03401	14.2
70.06589	68.8
71.71378	7.2
72.08148	30.9
72.93775	12.4
74.06060	8.8
81.03403	6.2
83.06075	4.9
84.04483	18.6
84.08134	27.3
85.02907	23.0
86.09701	49.9
86.42136	4.6
88.03975	4.7
88.91473	9.0
90.94809	11.9
91.05474	49.5
97.02855	11.2
99.04424	5.8
102.05506	10.3
108.95914	5.3
109.02863	8.9
110.07141	11.4
116.07060	9.6
120.08126	4.9
127.03873	9.0
128.96321	5.7
129.06616	10.7
129.10262	9.9
130.04950	4.3
132.95819	35.1
136.07570	11.2
144.06558	4.7
144.95807	13.9
148.93527	44.1
150.96835	17.6
157.13376	7.1
158.97389	31.6
161.09186	5.6
162.95073	11.7
162.96858	18.2
163.03911	6.2
166.94597	21.1
168.04814	5.2
174.95261	7.4
174.96880	29.7
176.98451	14.3
185.12923	6.3
186.95305	4.8
186.96858	13.9
190.94571	55.3
192.96153	8.5
192.97853	5.4
198.96706	9.9
200.92999	5.2
202.94566	10.9
208.00633	5.7
214.94492	4.6
216.09653	6.1
216.97806	11.9
218.93919	9.3
220.16920	14.5
221.17207	6.8
223.98285	10.4
232.00520	14.6
232.95573	5.7
232.97569	6.2
234.98981	62.7
238.17987	20.8
239.18327	7.4
239.97758	5.5
244.00554	5.5
247.98383	6.2
248.95190	26.5
250.01711	10.1
250.96700	19.2
251.97568	6.0
252.99969	8.1
256.19073	73.5
257.19403	28.2
266.96262	27.6
268.97705	34.0
281.98877	5.2
317.98618	12.1
334.03983	5.8
348.93408	5.9
366.00836	9.3
384.01920	100.0
461.25623	9.5
463.18936	4.5
504.24039	27.5
505.24402	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	504.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.9
54.73360	0.3
55.01851	0.6
55.05477	1.2
57.03410	0.8
60.04489	0.4
61.02905	0.6
65.11544	0.3
67.05466	1.1
68.04989	0.4
69.03421	4.3
69.07032	0.9
70.06581	3.9
70.39040	1.1
71.04967	0.9
72.08125	1.3
73.02874	0.9
79.05476	1.4
81.02970	0.4
81.03403	4.7
81.07021	1.1
82.06553	0.8
83.08582	0.5
84.04473	0.5
84.08102	1.0
85.02894	4.5
86.09677	1.9
87.00785	1.1
91.05452	0.5
93.07024	1.4
94.06541	1.7
95.08569	0.7
96.08108	3.3
97.02332	0.3
97.02892	2.8
99.04449	1.4
105.01830	0.5
105.06987	0.9
107.07305	0.5
107.08569	1.0
108.08082	1.4
108.27538	0.3
109.02874	3.9
109.06487	0.4
109.08867	0.3
110.09653	1.0
115.89857	0.3
117.06980	0.3
119.08555	0.8
120.08080	1.3
121.10110	0.6
122.09684	1.3
124.11175	0.9
127.03905	3.7
129.10228	1.4
131.08525	0.5
134.09631	0.4
136.11191	0.4
145.04930	0.8
145.10052	0.4
149.13089	0.4
149.40245	0.3
159.02948	0.3
162.50461	0.3
174.12820	0.4
178.05351	0.3
187.05991	0.9
192.17500	0.3
193.12247	0.3
198.15002	0.4
202.15866	0.7
218.15355	0.6
220.16942	16.3
238.17981	22.0
239.12842	0.3
256.19046	100.0
257.19293	1.1
298.13974	0.3
349.03470	0.3
416.18668	0.3
418.24088	0.4
460.25433	7.5
504.24326	56.7
505.24731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01868	0.5
55.05500	3.0
56.05022	0.9
57.03423	0.5
58.06587	1.0
65.03941	0.3
67.05494	4.9
68.05013	0.5
69.03411	1.3
69.07063	2.8
70.06583	8.9
70.30972	1.0
71.04988	0.3
71.06898	0.3
72.08140	1.4
73.02920	0.5
78.66396	0.2
79.05479	2.4
80.05018	0.9
81.03455	0.3
81.07052	4.1
81.47272	0.2
82.06575	1.5
83.04992	0.4
83.08626	1.0
83.43990	0.2
84.04498	0.6
84.08141	1.7
85.02898	2.0
85.06521	0.6
86.09694	3.0
87.04473	0.4
91.05467	2.6
93.05779	0.5
93.07027	3.1
94.06556	4.4
95.04982	0.6
95.07352	0.5
95.08588	4.5
96.08107	2.3
97.02893	0.4
97.06528	0.4
97.10147	0.4
98.06047	0.3
98.09694	0.9
99.04459	0.3
99.08090	0.3
103.05450	0.4
105.07015	2.6
106.06546	0.6
107.07327	1.7
107.08577	2.1
108.08103	4.8
109.06499	1.2
109.08928	0.5
109.10143	1.6
110.07157	0.5
110.09698	1.0
115.05408	0.4
117.05697	0.3
117.07031	0.5
119.08565	2.0
120.08088	3.8
121.08888	2.9
121.10155	1.0
122.03648	0.6
122.09653	5.5
123.08038	0.3
123.10427	0.6
123.11710	0.5
124.11227	0.9
127.03918	0.6
129.06995	0.3
129.10292	0.7
131.04872	0.4
131.07651	0.2
131.08563	1.1
132.08105	0.7
133.08722	0.3
133.10141	0.8
134.09651	3.8
135.08049	0.4
135.10440	1.3
135.11702	0.5
136.07591	0.7
136.11191	5.6
137.05960	7.1
143.08528	0.4
145.04988	0.3
145.10092	0.7
146.09633	0.6
147.08032	0.4
147.10472	0.4
147.11691	0.6
148.11241	1.6
149.05939	0.3
149.12016	0.4
149.13284	0.3
158.09485	0.3
159.09187	0.4
159.11748	0.4
161.05945	1.2
161.13210	0.4
162.12785	0.6
163.07565	0.5
163.11223	0.4
166.08611	0.4
175.07520	3.6
176.07907	0.4
176.71205	0.2
183.15001	0.4
187.07526	0.6
190.15950	0.4
191.14348	0.5
194.19171	0.3
199.07559	1.0
201.09171	0.4
201.16458	0.3
202.15962	0.5
203.08609	0.5
209.15430	0.6
218.15446	1.1
218.19048	0.9
219.08012	0.3
220.16908	6.4
222.18495	5.7
223.18880	0.3
231.08076	0.5
236.16493	0.9
238.17996	12.4
238.68282	0.3
239.18646	2.0
239.69089	0.4
240.19554	18.1
241.19974	0.4
244.17072	0.4
246.18509	7.8
248.20076	4.9
250.21794	0.3
251.10640	0.5
252.19537	0.5
256.19128	1.0
258.20554	0.4
259.07373	0.4
262.18076	0.3
263.10809	0.3
264.19553	27.0
265.19910	0.5
266.21121	11.0
268.22784	1.6
277.08453	0.5
279.10065	0.5
282.20590	1.9
284.22369	0.6
291.10233	1.0
311.12741	1.6
318.24347	0.3
323.12723	1.5
409.29932	0.3
421.73135	0.3
471.17737	0.4
485.38074	0.4
486.36185	0.3
503.38446	100.0
503.85135	1.2
504.38889	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	503.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05304	0.5
55.05507	5.7
56.05019	1.8
57.03412	0.8
58.06589	1.4
60.04514	1.1
63.69962	0.5
65.03915	0.8
67.05502	7.2
68.05009	0.7
69.03422	4.0
69.07062	9.8
70.02936	0.7
70.06585	17.2
71.04964	1.9
71.72319	0.9
72.08146	4.7
73.02893	0.6
74.06059	0.9
74.63330	0.5
79.05129	0.6
79.05494	6.9
80.04997	1.2
81.03407	2.4
81.06585	0.8
81.07046	13.3
82.06570	1.7
83.04980	1.0
83.08595	2.0
84.04482	2.6
84.08141	7.1
85.02901	4.8
85.06524	2.4
86.09212	1.1
86.09699	14.9
87.00783	0.9
87.10015	0.8
88.02168	0.8
88.03958	0.7
89.06026	0.8
91.05460	7.0
93.07027	9.3
94.06558	5.3
95.04954	2.6
95.08597	11.5
96.08127	5.5
97.02854	3.3
97.06516	5.3
97.10143	1.5
98.63855	0.6
99.04406	1.1
101.06042	0.7
101.07149	0.7
103.05447	0.8
105.01825	0.9
105.07021	7.8
107.04953	0.8
107.07337	4.1
107.08580	7.9
108.08111	8.6
109.02858	1.4
109.06503	3.1
109.08855	0.7
109.10153	5.7
110.07156	3.9
110.09657	2.6
111.08054	2.0
111.11678	1.0
113.05975	0.6
117.06972	1.5
119.04926	1.1
119.08589	4.7
120.08092	8.7
121.06498	1.5
121.08865	1.7
121.10137	5.3
122.09649	6.4
123.08031	1.6
123.10445	1.0
123.11687	4.5
124.07538	1.6
124.11205	1.5
125.09639	1.2
127.03873	1.7
128.10698	0.6
129.06941	0.7
129.10228	2.8
130.05032	1.1
130.06461	0.9
131.07658	0.6
131.08574	2.4
132.08047	1.9
133.10118	3.4
134.09605	1.9
135.08047	1.9
135.10379	0.9
135.11685	3.7
136.07568	3.8
136.11203	2.9
137.05934	2.7
137.09612	1.4
137.13228	1.4
138.09097	0.7
139.11163	1.7
143.08582	1.5
145.04953	1.4
145.06049	0.6
145.08972	0.7
145.10040	3.4
146.06027	0.8
147.04387	0.8
147.07816	0.9
147.11655	2.1
148.07530	0.8
148.11163	1.5
149.12155	0.6
149.13226	3.0
151.11142	1.7
156.07799	0.8
157.10083	1.4
159.09184	1.8
159.11676	2.1
160.11121	0.9
161.13240	1.3
163.11148	1.4
164.07152	0.7
167.05621	0.8
173.13242	1.2
174.12717	0.8
175.07552	1.4
177.12669	0.7
185.13011	1.3
190.15872	1.1
191.14310	1.3
192.17456	1.5
193.12209	1.0
198.12706	0.7
201.16370	1.4
202.15894	1.3
203.17818	0.7
218.15431	3.9
219.17471	0.8
220.16942	26.5
221.17270	1.4
222.18510	4.3
230.15285	0.9
232.16957	0.6
236.16412	3.6
237.14784	1.2
237.18561	1.7
238.17990	46.9
238.68077	1.4
239.18669	6.8
239.68950	2.1
240.17073	0.8
240.19557	15.6
241.19884	1.3
246.18402	3.2
248.16431	13.3
248.20068	1.4
250.18048	2.8
255.15933	1.4
256.19092	3.1
257.02655	0.8
264.19559	10.1
266.17499	9.9
266.21075	4.6
268.19077	0.8
268.22369	0.7
284.18475	1.4
299.06284	0.8
305.24670	1.8
319.18515	0.7
323.25800	1.6
345.52957	0.7
430.29486	0.7
475.35297	3.1
477.36700	1.3
478.37469	0.7
485.33682	2.8
494.33905	1.0
503.34128	100.0
503.77887	0.8
503.84799	3.1
504.34793	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	503.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59957	1.1
55.05495	5.5
56.05022	3.4
57.03413	2.7
59.85746	1.2
67.05486	6.2
69.03436	6.5
69.07058	7.1
70.06580	36.4
71.04983	3.7
72.08146	6.6
73.02881	2.6
74.06046	1.6
74.84003	1.3
79.05488	5.1
81.03422	2.3
81.07057	11.3
82.06557	1.6
83.04974	7.6
83.08579	2.1
84.04501	4.2
84.08131	7.4
85.02906	9.6
85.06544	1.7
86.09692	23.1
87.00819	2.1
87.10014	2.0
91.05458	5.5
93.07034	6.6
94.06564	2.1
95.08592	15.9
96.08131	1.4
97.02867	4.4
97.06522	2.7
99.08087	3.3
105.01862	3.1
105.07018	5.3
107.04932	1.4
107.07378	1.4
107.08577	27.7
108.08082	4.3
109.02861	2.2
109.06475	7.3
109.10131	13.1
110.07156	2.8
110.09656	1.7
111.08083	1.4
117.06977	1.7
119.08538	2.4
120.08104	6.8
121.06501	3.4
121.10110	19.5
122.09670	3.1
123.08041	4.0
123.11636	1.7
125.09615	11.5
127.03896	4.9
129.10220	4.3
131.08560	4.9
133.06020	1.8
133.10114	24.6
133.93159	1.2
135.07990	7.3
135.11653	4.5
136.07594	3.0
137.05974	2.8
137.09604	12.2
139.11137	3.1
145.10118	2.5
147.11659	5.3
149.09637	6.1
149.13246	15.7
151.11160	59.3
163.14786	11.1
165.12720	5.5
173.02621	1.3
173.13226	11.6
175.07503	1.5
183.14857	1.7
191.14279	61.5
197.66127	1.3
209.15340	100.0
211.14252	1.5
217.11769	1.9
220.15157	1.5
220.16850	7.4
221.11703	1.6
222.18542	2.0
238.17982	16.9
238.68211	1.8
239.18668	5.6
240.19563	9.3
241.19696	1.3
266.20941	2.1
306.68900	1.4
475.35980	1.5
481.35046	1.6
494.34253	3.1
503.34207	19.4
503.84869	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	503.2475
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
50.65672	0.6
52.00732	0.6
52.13736	0.5
53.03933	0.7
55.05485	1.2
57.03431	3.0
61.02904	2.3
63.36942	0.5
67.05475	1.7
69.03413	6.3
69.07054	2.9
70.06583	2.8
71.04975	0.6
71.58942	0.9
73.02896	4.8
79.05456	1.3
81.03402	3.8
81.07039	3.4
83.04949	1.5
84.04479	1.3
84.08143	3.3
85.02439	0.8
85.02893	11.7
86.09691	14.9
87.09975	0.7
91.05468	1.1
91.07587	0.7
93.07016	1.9
95.04940	2.3
95.08599	3.1
97.02879	4.9
99.04397	0.9
105.06992	1.4
107.08588	3.5
108.08086	0.6
109.02842	1.2
109.06477	4.6
109.10119	2.0
110.07133	0.8
115.03932	1.2
119.08543	1.5
120.08087	2.8
121.10119	5.0
123.08022	2.3
123.11668	1.9
127.03890	3.5
129.10188	1.7
133.10118	2.3
135.08028	1.3
135.11714	1.0
137.05992	0.9
137.09610	4.0
145.04901	2.6
147.11630	1.7
149.09535	3.4
149.13232	3.2
151.11154	22.8
165.12730	28.2
168.22285	0.6
171.28569	0.6
173.13153	1.4
189.12349	1.2
191.14279	5.1
193.15904	2.6
209.15329	100.0
210.15614	2.2
220.16922	1.5
238.17911	3.7
239.18690	3.0
239.68919	0.8
240.19414	1.7
267.18390	0.7
371.20691	1.2
456.75644	0.6
477.36667	0.6
503.02414	0.5
503.35953	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59957	1.1
55.05495	5.5
56.05022	3.4
57.03413	2.7
59.85746	1.2
67.05486	6.2
69.03436	6.5
69.07058	7.1
70.06580	36.4
71.04983	3.7
72.08146	6.6
73.02881	2.6
74.06046	1.6
74.84003	1.3
79.05488	5.1
81.03422	2.3
81.07057	11.3
82.06557	1.6
83.04974	7.6
83.08579	2.1
84.04501	4.2
84.08131	7.4
85.02906	9.6
85.06544	1.7
86.09692	23.1
87.00819	2.1
87.10014	2.0
91.05458	5.5
93.07034	6.6
94.06564	2.1
95.08592	15.9
96.08131	1.4
97.02867	4.4
97.06522	2.7
99.08087	3.3
105.01862	3.1
105.07018	5.3
107.04932	1.4
107.07378	1.4
107.08577	27.7
108.08082	4.3
109.02861	2.2
109.06475	7.3
109.10131	13.1
110.07156	2.8
110.09656	1.7
111.08083	1.4
117.06977	1.7
119.08538	2.4
120.08104	6.8
121.06501	3.4
121.10110	19.5
122.09670	3.1
123.08041	4.0
123.11636	1.7
125.09615	11.5
127.03896	4.9
129.10220	4.3
131.08560	4.9
133.06020	1.8
133.10114	24.6
133.93159	1.2
135.07990	7.3
135.11653	4.5
136.07594	3.0
137.05974	2.8
137.09604	12.2
139.11137	3.1
145.10118	2.5
147.11659	5.3
149.09637	6.1
149.13246	15.7
151.11160	59.3
163.14786	11.1
165.12720	5.5
173.02621	1.3
173.13226	11.6
175.07503	1.5
183.14857	1.7
191.14279	61.5
197.66127	1.3
209.15340	100.0
211.14252	1.5
217.11769	1.9
220.15157	1.5
220.16850	7.4
221.11703	1.6
222.18542	2.0
238.17982	16.9
238.68211	1.8
239.18668	5.6
240.19563	9.3
241.19696	1.3
266.20941	2.1
306.68900	1.4
475.35980	1.5
481.35046	1.6
494.34253	3.1
503.34207	19.4
503.84869	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	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21839	0.5
52.40508	0.5
53.03941	0.9
55.01865	0.8
55.05484	1.2
55.51090	0.5
57.03407	1.5
61.02911	2.1
67.05486	1.2
69.03422	6.9
69.07047	0.7
70.06585	5.9
71.04971	0.6
71.61370	1.2
72.08133	1.1
73.02885	1.1
75.01441	0.6
79.05475	1.5
81.03425	3.2
81.07035	2.1
84.08117	1.0
85.02896	15.6
86.09703	2.5
87.04433	0.7
90.53584	0.5
91.03948	0.9
91.05460	4.0
93.98351	0.6
94.04151	2.7
95.05032	0.6
95.08615	1.3
96.08134	0.6
97.02886	5.9
99.04443	1.1
102.05576	0.5
103.05431	3.4
105.07020	4.0
107.04926	1.3
107.08565	1.9
109.02881	2.6
109.06509	2.9
109.10171	1.0
115.05447	2.9
117.06984	1.4
119.08556	3.1
120.08075	1.9
121.06504	0.9
121.08871	0.7
121.10125	1.6
122.03627	5.1
122.09666	1.0
127.03875	3.1
128.06212	1.8
129.06987	1.5
129.10239	1.1
131.04926	4.7
132.05699	2.2
133.06439	2.4
133.10112	9.8
135.08003	1.2
136.07481	0.9
136.11183	1.1
137.05957	100.0
137.09563	7.4
138.06268	0.6
141.07039	1.3
143.04910	0.8
145.04930	2.5
145.06567	0.8
146.03603	0.8
147.04405	0.7
147.08029	3.0
149.06027	1.1
149.13248	1.3
151.07512	0.6
155.04910	0.7
156.05623	0.6
157.06509	0.5
159.08057	1.6
160.05188	1.8
161.05943	10.2
163.07518	8.7
169.06487	1.0
170.06056	0.7
171.08035	1.1
175.07520	39.6
179.06992	1.1
184.05197	1.8
186.06773	0.6
187.07544	5.3
189.07019	0.7
190.07727	1.1
191.08560	4.2
191.14276	6.6
199.07506	13.4
201.09108	0.9
202.07828	2.8
203.08524	5.9
205.06453	0.8
207.08006	0.6
209.15379	2.4
218.07249	1.2
219.08060	7.4
220.08807	2.4
220.17012	0.9
222.18439	0.6
231.08044	8.0
232.08835	1.7
235.07603	0.9
235.11145	0.7
236.08250	1.2
238.18008	3.0
239.18626	1.0
240.19447	2.8
246.18538	1.0
247.07515	3.6
248.08243	2.8
251.10641	10.0
258.06644	0.6
259.07480	3.9
260.08383	1.7
261.09094	1.4
263.10638	4.2
264.07813	1.2
264.19565	4.8
265.08627	1.3
265.72653	0.5
266.21219	0.6
267.13718	0.5
276.07837	1.8
277.08585	2.2
279.10101	8.2
280.10855	1.0
282.20929	0.6
291.10117	11.2
292.10901	3.7
293.08209	1.6
295.13245	1.5
308.10373	1.3
311.12750	23.2
323.12729	23.0
325.14365	1.6
341.14050	0.8
503.38538	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	502.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36724	0.8
55.05502	6.5
56.05028	6.3
57.07060	1.7
58.99578	6.6
62.57395	0.8
65.03923	0.9
67.05496	16.2
69.06731	1.1
69.07056	12.3
70.02462	3.3
70.02889	1.7
71.04984	1.1
73.02895	3.9
76.02205	1.7
79.05486	8.5
81.07040	17.3
83.04952	0.9
83.08611	5.5
84.08120	0.8
86.00627	0.8
86.09696	4.8
86.99043	2.3
88.02217	7.1
88.03985	9.3
91.05472	5.3
93.07026	16.3
95.08594	30.7
97.10139	1.0
99.02637	1.0
101.04223	6.4
105.00053	1.6
105.07018	14.2
107.08579	18.1
108.08084	1.1
109.06491	1.3
109.10139	19.6
111.08051	0.9
112.02145	1.6
113.09593	2.2
114.03713	3.1
117.06966	3.2
119.08566	12.7
119.47339	0.8
120.96571	1.3
121.10115	16.6
122.02676	1.6
123.11713	4.0
131.08562	6.4
133.10118	10.8
134.02641	1.8
135.10864	0.8
135.11685	10.0
137.09578	0.8
137.13248	2.2
143.08498	2.7
144.08374	1.8
145.10100	7.8
147.11658	9.8
149.09650	0.9
149.13231	7.1
157.10091	3.6
158.02679	5.2
159.11694	7.7
160.02966	1.5
160.04248	18.9
161.09616	0.7
161.13223	11.8
163.14792	4.3
171.11592	1.9
173.13202	6.8
175.11128	1.2
175.14784	5.9
177.16386	3.9
183.11742	1.0
185.13220	2.3
187.14832	4.5
189.16284	2.4
190.08929	3.7
191.14340	1.5
193.15868	1.7
199.14769	1.5
201.16393	2.6
203.14215	1.5
203.17828	1.0
209.13544	1.1
213.16415	1.3
215.17892	1.7
217.15926	2.3
219.17458	2.5
220.16930	0.8
225.16409	1.0
230.37793	0.8
231.17412	1.1
237.16444	1.2
238.17993	1.0
239.18150	1.4
243.17255	1.2
243.21054	1.5
261.22131	8.4
264.19229	1.0
265.19534	1.5
282.15057	1.3
292.24731	0.8
295.24115	1.3
331.75500	0.8
335.25723	1.3
339.29269	1.0
353.26776	4.0
363.30524	1.5
381.31390	12.0
413.28622	2.0
427.78720	0.8
439.29968	1.1
453.17615	0.8
459.24747	1.1
484.32208	2.1
485.30750	2.8
487.02628	0.8
502.33286	100.0
503.33673	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	502.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25504	0.8
53.03934	1.0
54.39265	0.6
55.01870	2.3
55.05500	2.7
56.05023	2.4
57.03424	2.6
60.04530	3.3
61.02917	2.8
68.05019	0.8
69.03417	8.6
69.07063	1.9
70.06582	100.0
71.04983	2.0
71.06908	3.2
71.51643	0.6
71.76208	1.0
71.76587	0.9
72.08142	21.8
73.02897	1.4
73.08469	0.8
74.06068	6.8
76.02221	0.7
76.04013	0.7
81.03404	4.2
81.07045	0.8
83.01326	0.9
83.06071	1.0
84.04495	9.2
84.08131	15.1
84.08601	1.1
85.02891	31.3
85.08476	0.7
86.06060	1.1
86.09693	32.6
87.04470	1.1
87.05580	2.1
87.10020	0.7
88.04018	1.2
90.05590	0.8
91.05471	2.0
94.06572	1.0
94.21924	0.6
95.06139	1.0
96.08107	1.3
97.02885	9.7
98.06062	1.2
99.04449	2.0
101.07127	1.7
102.05514	5.0
104.07081	1.1
104.82211	0.6
105.03403	1.0
105.07011	1.7
107.04937	5.5
108.08092	1.0
109.02860	3.6
110.06005	0.8
110.07153	4.0
110.09683	0.9
112.08727	2.0
114.05495	0.8
114.31638	0.6
115.08670	1.8
116.07111	2.5
119.04928	3.4
120.08113	2.6
121.06502	0.9
122.09662	1.7
123.04434	1.9
127.03886	6.8
127.04599	0.5
127.08700	1.7
128.10719	1.1
129.06601	1.8
129.10226	10.7
130.04993	1.9
130.08681	1.5
131.04881	3.4
133.02803	4.7
133.06497	7.7
135.04424	1.5
136.07579	4.3
137.06032	0.8
137.07925	0.9
141.10199	3.3
143.10687	2.8
143.11699	1.2
145.04922	8.5
147.04390	16.3
147.07635	1.5
147.11290	1.1
148.04741	0.8
149.05956	3.1
155.08147	1.0
157.09750	0.9
158.09241	0.6
159.04436	2.2
159.07672	0.8
159.11319	1.0
161.02301	5.3
161.05971	9.7
163.03906	1.8
164.04356	0.7
165.05481	1.9
169.09741	2.3
169.13348	6.6
171.04395	2.0
171.11270	3.1
173.05922	0.8
173.09280	1.5
173.12871	3.0
175.11955	1.9
177.05533	1.0
179.03383	4.4
180.08688	2.3
181.09689	0.7
183.14925	2.1
185.09233	2.8
185.16554	1.0
187.03893	6.9
187.05367	0.9
187.07230	2.7
187.10760	2.5
187.14354	1.1
189.05438	24.4
197.12767	3.9
199.03882	6.2
199.10757	5.5
199.14525	1.1
200.14023	0.6
201.10675	0.7
201.12393	1.8
203.10258	5.8
205.04955	1.9
209.33475	0.6
211.14343	1.0
213.08798	1.2
215.10329	0.8
215.13983	2.8
217.04929	30.4
217.11842	1.4
221.09183	1.0
222.09555	0.9
227.10245	2.3
235.06053	1.3
236.16335	4.2
245.04483	1.1
247.11134	2.3
254.17468	5.5
260.19714	1.2
263.05478	67.0
264.05896	0.9
286.17563	0.9
290.13455	2.3
298.17667	2.9
302.13428	15.4
305.06573	5.7
316.18549	4.3
323.07571	67.4
324.07751	1.1
330.20425	1.1
332.95874	0.7
340.09998	4.9
341.08389	3.0
344.16199	3.5
364.10318	2.7
397.24774	1.7
458.24048	2.5
502.15527	6.4
502.22952	9.6
502.29993	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	501.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
54.67651	0.2
55.01837	0.2
55.05505	2.5
56.05009	0.5
58.06588	0.3
65.03920	0.3
67.05495	3.7
68.04985	0.6
69.07059	2.4
69.48215	2.3
70.06583	4.6
71.06905	0.3
72.08140	1.5
78.28361	0.2
79.05488	2.4
79.28910	0.2
80.04969	0.9
81.07053	2.8
82.06569	1.7
83.08577	0.6
84.04451	0.7
84.08099	0.8
85.06499	0.3
86.06036	0.2
86.09694	2.9
87.09981	0.3
91.05457	1.7
93.05737	0.3
93.07024	2.6
94.06015	0.3
94.06557	4.2
95.04934	0.4
95.07299	0.5
95.08044	0.2
95.08597	3.1
96.08118	3.1
97.10128	0.8
98.09652	0.4
98.21461	0.4
99.71462	0.2
105.07001	1.6
106.06523	0.5
107.07354	2.3
107.08566	1.9
108.07426	0.4
108.08104	5.6
109.06508	0.3
109.08894	0.4
109.10088	0.8
110.07126	0.3
110.09669	1.5
117.06984	0.6
119.08578	1.2
120.08091	3.1
121.06470	0.3
121.08190	0.2
121.08873	2.6
121.10082	0.8
122.09655	6.4
123.10432	0.7
124.11218	2.0
129.06921	0.3
129.10187	0.3
131.08508	0.8
132.08026	0.8
133.10106	0.5
134.09633	3.8
135.10379	1.4
135.11447	0.4
136.07545	0.4
136.11198	7.0
138.12747	0.2
143.08571	0.4
145.10115	0.6
146.09659	0.6
147.10391	0.6
147.11620	0.5
148.11201	1.8
149.11996	0.4
149.13203	0.2
149.69160	0.2
150.12700	0.4
160.11163	0.3
161.12001	0.3
161.13235	0.3
162.12756	0.7
164.10732	0.3
166.45999	0.2
172.09615	0.5
174.12819	0.5
176.14407	0.3
190.15875	1.0
192.17407	0.6
200.14430	0.2
202.15833	0.6
214.16231	0.3
218.15392	2.2
218.18945	1.2
220.16943	13.3
221.17311	0.4
222.14783	0.3
222.18454	0.3
230.15662	0.3
234.14890	0.3
236.16429	2.7
238.17987	24.8
239.18454	1.2
240.19568	1.5
244.16887	0.5
246.18509	7.9
248.20119	2.8
256.19025	2.4
262.17953	0.5
264.19553	27.8
265.20123	1.0
266.21127	12.8
274.45279	0.3
282.20590	2.3
284.22165	0.6
374.21967	0.3
483.35983	0.3
501.36807	100.0
502.26395	0.3
502.37195	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	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
53.20916	0.3
55.05506	8.9
56.05021	0.6
57.05809	1.4
60.04501	0.3
70.06588	3.8
71.26932	0.7
72.08145	100.0
73.08470	0.4
83.06081	0.3
84.04480	0.7
84.08142	1.0
85.26524	0.3
86.09686	2.6
91.05460	3.8
92.89874	0.3
107.04914	0.6
118.06619	0.4
119.04916	4.2
120.08101	1.1
123.04385	0.6
129.10168	0.4
129.41684	0.3
130.04997	0.3
136.07559	71.7
137.07927	0.5
147.04419	0.8
147.07593	0.5
148.06490	0.3
148.07573	0.4
165.05447	2.7
182.08105	8.0
193.09698	41.5
194.10008	0.3
221.09184	42.7
222.09471	0.6
235.14421	0.9
259.03662	0.3
260.16000	0.4
263.13919	0.4
275.13852	5.5
281.14932	21.2
282.15231	0.5
292.16437	0.5
320.16006	11.4
321.16318	0.4
401.94931	0.3
483.21869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28007	0.8
55.66006	0.7
69.35462	1.7
69.35881	5.6
70.06216	1.0
70.06579	18.8
71.06907	1.1
72.08131	4.3
72.42636	0.6
72.74154	0.7
84.04467	2.8
84.08115	4.1
85.02928	0.8
86.09693	5.9
91.05443	2.1
92.38071	0.7
94.54465	0.6
97.98286	0.7
107.04989	0.9
110.07123	2.3
115.05437	1.2
117.03307	0.8
117.05732	1.1
117.07024	1.4
118.06516	17.0
129.10216	2.3
130.06482	1.8
131.10526	0.7
132.08069	4.9
135.04373	1.3
136.07532	1.0
142.06503	1.9
143.07254	2.0
144.08072	12.6
145.02829	1.9
146.05981	54.6
147.04364	1.6
147.06381	0.9
155.08156	0.8
159.09134	5.8
160.07520	0.9
163.03874	7.5
170.05972	3.8
188.07033	100.0
189.07320	1.6
205.09686	43.5
244.12868	1.7
301.14975	0.8
308.08493	0.8
316.19067	0.8
321.06369	1.6
447.42120	0.8
482.98651	0.7
501.31613	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	500.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.05025	1.2
60.04504	1.4
61.01133	0.4
63.81678	0.4
69.07043	0.5
70.02938	2.6
70.06581	29.3
71.06907	0.6
71.76747	0.5
72.07731	0.6
72.08141	9.2
73.63683	0.3
74.02428	0.3
74.06058	0.8
79.17684	0.4
83.06094	0.8
84.04491	3.4
84.08131	5.4
85.02885	0.8
86.09687	8.0
87.05577	7.5
87.10031	0.4
88.03978	4.8
91.05466	21.7
93.07040	1.3
95.04987	0.5
97.02872	0.4
98.02396	5.7
98.06059	0.9
102.05526	1.4
103.05423	3.4
104.05315	1.0
105.06993	0.5
106.04988	0.5
107.04950	1.1
110.07131	2.0
111.04396	0.5
112.07647	0.5
112.08663	0.6
115.05036	1.1
115.08712	0.4
116.07079	0.4
118.06530	0.6
119.04929	6.7
119.07303	1.0
119.23631	0.4
120.08083	100.0
121.06462	2.1
123.04400	0.4
127.08662	2.0
129.06871	0.6
129.10228	3.2
130.06506	35.9
131.04910	0.6
132.08078	0.4
134.05959	0.4
136.07556	65.3
137.02309	3.1
137.05925	0.4
137.07922	0.7
139.03874	1.3
141.10190	1.1
143.11772	0.5
144.06505	0.5
144.07022	0.4
144.08058	3.1
146.05988	2.5
146.09589	0.6
147.04361	1.3
147.07758	0.4
147.09146	1.6
148.07579	1.2
153.12723	0.8
155.03416	1.6
155.08133	2.1
157.09633	0.4
162.05481	0.9
162.07579	0.5
167.03404	2.1
169.09663	0.9
169.13301	2.8
172.07558	12.7
173.09233	1.2
174.05472	0.7
174.09062	0.4
175.08647	23.1
176.06950	0.4
180.06511	1.0
181.09666	0.6
182.06029	0.4
183.14934	1.1
185.09212	0.5
187.10808	0.8
189.10188	3.4
193.09726	2.0
197.12860	0.9
200.07016	2.0
215.13623	0.5
216.11269	1.8
217.09694	12.7
217.11794	0.7
221.09187	2.0
222.07481	1.8
234.12335	61.9
235.12778	0.5
239.10229	17.5
245.09270	1.9
262.11829	26.1
268.16544	0.8
273.32126	0.4
281.15024	0.5
283.14276	1.6
288.17911	0.7
293.12875	3.1
311.13779	1.4
320.13486	1.7
321.12189	0.6
322.14188	0.4
328.16760	1.2
330.16473	1.3
330.20016	0.6
339.23785	1.0
363.12985	0.4
366.14471	2.0
367.23236	1.0
380.16089	1.8
386.16968	1.4
387.18658	0.6
396.15405	3.4
407.17026	1.6
408.15463	1.8
425.18161	14.8
466.15924	0.5
483.18524	1.0
500.20773	0.6
500.27478	3.5
500.77127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.8
55.01861	7.6
55.05504	24.4
57.03431	26.8
57.07066	12.7
60.08159	19.9
61.02914	54.8
61.08490	4.0
65.77573	2.1
67.05494	73.9
69.03419	29.7
69.07056	30.7
70.43459	10.6
71.01353	5.0
71.04985	2.4
71.07363	6.2
71.08641	5.1
73.02909	23.8
75.99865	2.1
78.10653	2.1
78.32669	2.5
79.05489	22.6
81.03404	21.4
81.07045	79.7
81.07516	4.7
81.35072	2.2
83.04977	7.0
83.08614	17.2
85.02894	58.9
85.06559	4.4
85.10191	3.2
86.09692	47.1
87.04465	6.1
87.10014	22.6
88.10363	3.8
91.03943	41.3
91.05470	19.8
93.07029	26.2
95.04980	4.4
95.08588	66.4
95.09148	4.5
97.02871	37.4
97.06555	4.1
97.10141	12.2
98.98424	3.9
99.04450	11.4
99.08096	4.7
101.02349	11.6
103.03971	7.3
104.10732	90.7
104.11407	4.9
105.07014	13.4
105.10411	3.2
105.11059	37.3
106.05057	2.9
106.11248	10.7
107.08591	15.1
109.02848	12.4
109.06502	2.5
109.10130	29.0
111.04439	3.0
111.08059	5.0
111.11736	3.1
113.09638	2.5
115.03923	4.2
117.05476	2.5
117.07044	2.8
119.08538	11.6
121.10143	11.6
123.11691	14.3
124.99980	19.4
125.09614	3.3
126.00368	4.7
127.00417	12.2
127.03911	26.6
129.05495	5.8
131.08591	3.0
133.10139	13.0
135.11726	8.7
137.13268	4.4
139.11090	2.8
143.08559	2.7
145.04945	13.2
145.10130	5.0
147.08009	3.0
147.11691	6.0
149.13295	6.3
151.14798	3.9
159.11732	2.5
161.13303	6.4
163.14807	4.3
175.14880	4.1
177.16443	3.4
183.06548	5.6
184.07318	56.7
185.07693	28.1
186.07776	34.5
187.08180	7.6
189.16411	2.8
201.07550	4.5
245.22713	10.9
263.23660	22.9
303.23105	3.2
305.24890	4.5
311.25787	6.4
314.27869	3.4
337.27325	100.0
365.26962	4.2
371.25665	3.6
445.29755	6.4
481.33740	14.4
499.34424	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	499.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.4
56.05020	5.6
57.03402	1.6
58.99577	1.8
59.45302	1.3
60.04504	6.5
61.02010	1.3
65.03950	1.4
67.05493	7.1
69.03426	3.1
69.07055	4.2
70.02955	2.4
70.06583	70.2
71.04974	3.7
71.06910	3.3
71.68805	2.0
71.69173	1.5
72.08143	14.5
72.18140	1.4
74.02409	1.5
74.06058	5.4
74.06431	1.2
76.02219	2.5
79.05473	10.9
81.03391	1.8
81.07040	3.9
83.04964	25.4
83.06063	1.7
84.04043	2.3
84.04495	27.0
84.08135	22.0
85.02887	9.5
86.09697	26.4
87.05582	4.5
88.03954	2.0
91.05466	16.4
93.07029	28.2
95.04916	1.8
95.06106	1.5
95.08593	39.5
97.02859	2.5
97.06526	2.2
98.02431	1.5
98.06035	1.9
101.07100	4.0
102.05519	11.3
104.05306	2.3
107.04943	2.7
109.02868	2.1
110.07149	17.7
111.07442	1.6
112.08698	2.8
113.07166	2.6
114.21902	1.6
115.08675	1.4
116.07058	11.3
119.04932	14.2
120.05206	1.3
120.08069	7.1
121.10130	14.3
122.06080	1.6
123.04475	1.4
127.03890	1.6
127.08615	3.2
129.06586	3.0
129.10240	12.4
130.04967	6.9
130.08643	1.6
133.06116	1.4
135.04428	1.4
136.07558	100.0
137.05942	1.9
139.10089	3.1
139.11156	48.3
141.10188	2.5
143.11740	2.1
144.06554	9.9
145.04933	1.6
147.04395	13.6
147.07623	10.4
148.03047	1.5
149.07394	1.6
155.08195	2.4
156.04713	2.6
157.12227	38.5
160.07541	1.6
162.07593	12.0
163.03877	3.4
164.06995	1.7
164.11865	1.5
166.05151	2.6
167.08093	2.2
169.13362	3.5
175.07097	1.4
175.11884	1.8
183.14977	2.1
188.07005	1.6
197.12918	1.6
201.12280	2.1
202.05246	3.2
219.07977	9.0
220.16710	1.8
223.10887	2.0
230.11420	1.7
231.09720	1.5
232.09935	1.4
240.13480	1.9
257.12259	1.6
265.11981	2.0
300.10022	1.5
301.11899	2.0
319.12799	2.6
320.12390	9.3
325.13879	19.4
343.19745	2.7
369.13495	2.8
481.17480	1.8
499.28510	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	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.07067	42.1
57.23781	0.7
59.04990	1.3
69.07058	1.9
69.72578	3.9
69.72996	1.7
71.08617	29.1
71.54142	0.7
73.06554	5.8
80.55605	0.7
81.07041	0.8
83.08613	1.5
85.10171	28.0
87.04456	3.8
89.06018	100.0
91.07558	1.1
97.10149	3.8
99.11710	5.0
107.07049	3.8
113.13279	1.4
117.09122	4.4
122.21126	0.7
124.95171	0.8
130.08620	4.4
131.07050	1.9
133.08585	50.8
141.16365	2.3
155.17946	3.9
161.11745	0.7
177.11194	22.6
199.20494	4.4
221.13789	5.5
239.14911	3.4
240.23277	1.3
243.23169	11.2
283.17465	6.5
287.25787	6.9
294.48001	0.9
327.20145	15.0
393.32245	1.8
437.34836	1.8
481.37296	28.3
482.37631	1.0
498.34000	2.7
498.39673	2.8
499.34592	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	498.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77900	1.5
55.05495	3.1
57.07067	90.0
59.04992	15.4
64.77690	1.4
69.07054	3.3
69.72454	4.6
69.72879	8.8
70.06569	2.4
71.08619	91.6
83.08582	3.0
84.08190	1.5
85.10168	85.8
87.04455	6.3
89.06019	100.0
95.08600	2.1
99.11720	9.6
103.07554	6.7
104.25300	1.8
107.07047	3.2
120.08948	1.6
121.10091	2.0
130.08629	3.5
131.07027	2.8
133.08582	69.9
141.16376	11.5
175.09596	2.0
177.11201	45.6
195.12202	2.7
199.20540	14.9
221.00473	1.4
221.13828	4.4
239.14853	4.6
243.23154	6.7
265.16440	2.0
281.17166	1.5
283.17468	43.1
323.20566	3.6
327.20120	7.9
341.21567	3.9
481.37265	16.3
498.33496	3.5
498.40009	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	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	1.8
70.06581	7.3
76.66703	1.1
77.00870	1.2
81.03383	1.1
82.99833	1.8
84.04478	1.5
84.08103	1.7
85.02872	2.0
86.09659	2.0
86.99331	1.2
89.03927	1.6
97.02885	1.3
101.00861	12.9
103.02406	2.9
113.00843	5.3
117.03334	1.2
119.01900	35.2
121.03480	1.8
123.36839	1.1
127.02395	9.3
129.10184	1.3
131.01881	23.3
133.03438	1.3
133.06055	1.3
135.04362	4.0
136.07495	2.2
137.02917	3.5
139.02412	2.5
142.03462	1.2
143.01865	23.8
145.03471	50.2
145.04649	2.5
146.03635	1.7
147.01309	2.5
149.02945	3.6
149.05832	2.2
155.01868	33.8
157.03452	19.9
161.02936	32.1
163.03830	42.9
164.04224	1.4
167.01846	10.7
169.03407	4.4
171.01370	7.8
171.04915	2.3
173.02936	75.6
174.03023	2.9
174.04350	1.8
175.03806	3.0
179.01860	3.5
181.03474	1.4
183.01340	1.3
185.02927	51.8
186.03000	2.5
187.02948	1.4
187.04504	5.8
189.02440	8.3
191.03897	3.9
193.01915	1.4
193.04919	2.6
196.04517	3.2
197.02946	19.7
199.00851	3.9
199.02547	1.3
199.04491	2.6
201.02507	2.1
203.02110	1.4
203.03938	18.5
209.02879	3.5
211.00490	1.1
215.03854	12.3
216.05225	3.1
217.01878	55.6
217.04889	14.5
218.01939	1.6
221.02966	36.9
221.05014	6.9
222.03027	2.2
227.03893	10.2
229.01772	9.4
229.05067	2.9
230.11772	1.7
235.02927	21.7
235.04997	2.3
239.03938	9.3
239.06093	2.1
245.05037	100.0
246.05241	4.3
247.02571	9.0
247.04408	2.7
253.04025	1.9
257.04987	15.2
258.04752	2.3
263.03625	10.3
263.06390	10.7
265.04007	2.4
275.03827	3.1
275.06219	18.4
277.04016	19.8
277.06934	3.0
281.05008	32.0
282.05374	1.6
293.04480	2.2
293.07272	3.5
299.06134	8.2
301.04065	12.7
305.07101	9.7
311.06036	8.1
319.05276	26.6
319.08264	2.3
323.06030	7.5
335.08167	3.6
337.06030	37.7
338.06143	1.8
353.06946	1.9
365.09320	9.9
377.99008	1.2
379.04889	6.8
383.08151	20.6
387.65610	1.2
397.06104	3.7
401.08578	1.2
412.52310	1.1
439.07172	1.7
499.11209	49.4
500.11578	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	498.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.8
57.07056	4.2
58.06594	22.2
60.04519	6.8
67.05487	6.0
69.07052	8.7
70.04337	0.9
71.08606	3.1
71.72371	1.4
72.08127	1.0
74.09688	1.2
79.05481	1.7
79.48969	1.1
80.63467	0.9
81.07048	9.7
83.04984	5.7
83.08615	3.3
85.10146	1.4
86.57648	0.9
88.07596	1.0
89.06012	3.9
91.05469	3.0
93.07025	6.4
95.08595	17.4
97.10167	1.0
97.23058	0.9
100.07624	4.9
102.78224	0.9
105.07024	5.6
107.08597	6.8
109.10157	8.4
111.11749	1.1
117.07007	1.1
119.08570	7.9
121.10110	7.5
123.11689	2.1
125.09617	1.2
131.08528	3.4
133.08591	1.8
133.10103	4.9
135.11676	6.0
137.13217	6.9
143.08563	1.7
145.10104	3.7
146.17670	1.0
147.11655	4.8
149.13222	2.0
157.10098	2.0
159.11690	4.2
160.17143	0.9
161.13239	6.3
169.02629	1.3
171.11668	2.1
173.13278	1.8
175.14729	2.0
187.14848	1.4
189.16383	1.4
199.14803	1.3
201.16367	1.3
203.14359	1.9
213.16354	3.1
215.05234	0.9
217.15897	1.2
231.17410	3.5
248.24281	1.0
273.22031	1.0
323.27298	1.5
341.28479	2.0
439.35645	7.3
498.39386	100.0
499.40042	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	498.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15014	0.3
53.03911	0.6
55.01854	0.8
55.05253	0.4
55.05502	4.6
56.05014	1.5
57.03430	2.0
58.06596	1.9
59.04985	0.4
61.02923	0.4
65.03918	0.6
67.05493	4.8
68.05006	1.0
68.23653	0.3
68.91222	0.3
69.03415	1.9
69.07059	4.6
70.06581	22.7
71.04983	11.3
71.06895	0.7
71.75579	0.5
71.75971	0.3
72.05299	0.5
72.08147	4.2
73.02896	0.5
74.06031	0.7
76.02204	0.5
79.05476	3.4
80.04993	1.0
81.03386	1.1
81.05767	0.4
81.07046	5.9
82.06571	1.8
82.07353	0.4
83.04977	1.7
83.08601	0.9
84.04478	1.3
84.08133	3.4
85.02892	13.2
85.06527	0.9
86.03220	0.7
86.09691	6.3
87.00793	0.6
87.04452	0.7
87.05585	0.3
87.09999	0.3
88.03966	0.7
91.05468	2.3
93.07022	3.4
94.06555	2.8
95.04929	1.2
95.07350	0.5
95.08601	4.9
96.08118	4.8
96.08809	0.5
97.02856	1.5
97.06509	0.5
97.10159	0.9
98.06060	0.6
98.09660	1.1
99.04440	0.8
104.05297	0.8
104.10014	0.3
105.07004	2.4
106.06554	0.4
107.04940	0.4
107.07310	1.3
107.08582	2.3
108.08107	4.9
109.02888	1.0
109.06501	0.8
109.08891	0.8
109.10120	1.7
110.05989	0.5
110.07166	2.3
110.09659	2.0
111.04424	0.7
111.08095	0.4
112.07597	0.4
112.08681	0.4
115.03905	0.5
116.07044	0.4
119.04925	0.6
119.08501	1.6
119.59365	0.4
120.08091	7.2
121.02820	0.7
121.06499	0.6
121.08426	0.3
121.10112	1.2
122.09643	3.4
123.04495	0.5
123.08049	0.6
123.10580	0.3
123.11646	0.5
124.07606	0.4
124.11205	1.7
125.09679	0.3
127.03913	1.5
127.08651	0.9
127.09869	0.5
129.05443	1.7
129.06950	0.3
129.10207	1.8
130.04953	0.6
130.06509	0.5
131.08569	0.7
132.08070	0.6
133.10097	1.0
134.09612	0.7
135.07997	0.4
135.11653	0.7
136.07573	2.1
136.11179	0.7
137.02299	0.9
137.05995	1.4
137.07912	0.5
137.09578	1.2
137.13210	0.3
138.09097	0.7
140.06944	0.4
140.10660	0.8
143.08492	0.6
145.04945	0.5
145.10121	1.0
146.09572	0.4
147.11635	0.6
149.09593	0.5
151.11151	1.0
153.01828	1.2
155.08134	1.1
155.14290	0.6
156.14674	0.8
157.10056	0.4
159.07874	0.3
159.09195	0.4
161.13248	0.4
162.81052	0.3
163.11217	0.5
164.07137	1.0
165.01930	0.4
166.08525	0.4
168.13777	0.7
169.12167	0.5
170.11734	0.5
171.11435	0.4
177.10199	0.4
179.10550	0.3
183.14908	1.4
187.13252	0.5
192.17458	1.2
197.12843	0.4
198.14832	0.6
201.12172	0.4
202.15839	0.8
209.15353	1.3
211.14348	0.7
218.15382	1.4
220.16930	18.0
221.17271	2.7
222.18494	7.1
223.18764	0.5
229.04932	0.8
230.18233	4.1
230.68462	0.7
231.19333	0.4
232.19933	0.5
236.16379	1.5
238.17987	28.9
238.68159	5.2
239.18752	100.0
239.68936	20.9
240.19545	39.0
241.19850	4.0
246.17749	3.2
246.67941	1.4
247.18495	5.4
247.68646	1.1
254.17413	1.0
256.19040	6.1
257.04391	0.5
257.19415	0.6
262.19016	0.9
287.05417	0.7
303.04944	23.1
304.05246	3.3
305.05316	0.5
318.20529	1.7
318.70728	3.6
319.21207	2.4
319.71448	0.5
339.24179	0.4
348.22083	0.3
366.22757	2.1
367.23428	0.7
374.77612	0.7
382.20102	1.3
383.20828	0.4
384.23770	7.7
384.28711	0.4
385.24298	2.0
399.23480	0.4
432.09409	0.3
442.11896	0.4
463.01270	0.4
475.34940	0.4
477.36832	1.8
478.37289	0.5
480.37717	0.5
493.36066	0.6
497.77179	0.9
498.20908	2.6
498.33704	1.8
498.79895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
53.39913	0.2
55.01844	0.4
55.05241	0.2
55.05498	2.0
56.05005	0.6
57.03415	1.0
57.07054	0.2
58.06591	2.4
59.04973	0.2
64.51521	0.2
67.05494	4.8
69.03395	0.5
69.07049	2.3
70.06580	12.8
71.04952	0.8
71.06892	0.3
72.08137	0.8
74.06046	0.4
78.13331	0.2
79.05479	2.5
81.03387	0.3
81.07044	8.0
82.06557	0.9
83.04923	0.5
83.08603	1.2
84.04496	1.5
84.08129	1.3
85.02881	1.0
85.06512	0.7
86.09270	0.2
86.09688	2.1
91.05463	2.5
93.07023	3.0
94.06528	0.6
95.04953	0.5
95.08592	7.4
96.08119	1.5
96.08717	0.2
97.02873	0.3
97.06487	0.8
97.10115	0.6
98.09657	0.8
98.20680	0.4
99.08081	0.2
100.11236	0.3
105.07008	1.9
107.08578	2.5
107.63171	0.2
108.08071	0.7
108.08806	0.2
109.02885	0.2
109.06466	0.7
109.10115	2.0
110.07124	0.7
110.09639	0.8
111.08045	0.8
115.05404	0.2
117.06971	0.4
119.08557	1.2
120.08089	1.7
121.06484	0.4
121.10120	2.0
122.09638	0.4
123.08014	0.6
123.11614	0.5
124.07581	0.3
124.11266	0.2
125.09581	0.4
126.09148	0.2
127.03865	0.6
127.07540	0.2
128.10652	0.2
129.05508	0.2
129.06993	0.2
129.10216	0.5
131.08525	0.9
133.10117	1.7
135.08064	0.4
135.11653	0.5
136.07530	0.4
137.05969	0.4
137.09612	0.2
140.10643	0.2
143.08575	0.2
144.57387	0.2
145.04939	0.3
145.10092	1.0
147.11658	1.5
149.09579	0.6
149.13214	0.5
154.12186	0.3
159.11644	0.4
160.67978	0.2
163.11156	0.3
163.14757	0.3
165.12688	0.3
167.14259	0.4
177.05351	0.2
177.16324	0.2
177.31203	0.2
181.10153	0.2
183.06323	0.2
187.13252	0.2
187.14664	0.9
194.18922	0.4
201.12292	0.3
202.15848	0.2
205.15944	0.5
207.13841	0.2
218.15399	0.2
220.16910	1.5
221.17876	0.3
221.20082	2.9
222.18494	26.9
223.16873	1.7
223.18903	0.5
236.16414	0.3
237.12543	0.2
238.17989	3.8
238.68190	0.9
239.18683	2.3
239.21149	2.1
239.68866	0.7
240.19550	9.2
241.19917	0.4
246.17799	0.5
247.18344	0.3
258.20599	1.6
265.22775	0.5
295.23755	0.9
303.04895	0.3
355.09064	0.2
401.23413	0.2
461.37354	3.2
475.35095	0.3
477.36536	0.2
479.38373	19.5
480.38696	0.8
497.39435	100.0
498.39838	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	497.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.8
55.05505	29.8
57.03434	39.2
61.02915	61.1
61.91921	5.7
65.03917	7.2
67.05493	87.8
69.03415	53.6
69.07048	34.2
70.06589	8.6
71.04992	7.7
71.75108	8.0
71.75504	7.3
73.02895	27.3
79.05478	69.8
81.03412	31.6
81.07047	100.0
83.08596	8.5
84.04507	6.7
85.02894	57.9
86.09706	7.8
91.03945	31.0
91.05463	45.7
93.07027	78.1
95.04960	11.8
95.08593	89.6
97.02888	48.5
97.06533	6.1
97.10141	6.5
98.09596	5.8
99.04430	13.7
101.02357	13.9
103.03913	16.2
105.06995	30.3
107.08590	41.6
109.02853	11.4
109.06503	7.9
109.10159	43.0
117.07003	13.5
119.08572	37.9
121.10128	32.1
123.11685	16.8
125.09594	11.6
127.03909	35.3
129.05501	8.1
129.07001	7.7
131.08540	25.7
133.10072	22.9
135.11668	17.5
137.13127	7.8
143.08485	7.2
145.04948	17.1
145.10114	18.6
147.11650	20.6
149.13255	12.4
159.11650	16.3
161.13228	10.8
166.52777	7.5
169.10098	7.7
171.11630	7.7
173.13246	12.8
187.14761	8.0
238.17990	13.1
243.21103	9.2
261.22119	17.9
261.64981	6.2
303.23306	6.9
318.61563	6.7
335.25720	84.3
443.27768	7.2
479.30103	13.1
479.36935	7.6
496.47888	6.9
497.31335	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09335	2.3
220.16949	1.1
238.17953	2.7
260.16199	19.6
267.06998	0.4
333.14969	0.7
496.48325	0.4
497.33450	100.0
498.33795	4.9
520.37292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.9
56.05024	2.0
57.05832	0.4
58.06590	0.7
60.04514	2.9
61.01155	0.5
69.07057	7.1
69.66662	1.6
69.67096	1.9
70.02953	1.0
70.06585	29.4
71.06912	2.0
72.08150	5.9
74.02463	0.6
74.06073	2.5
83.06091	1.7
84.04506	4.7
84.08134	8.1
85.02907	1.2
85.04021	0.7
85.08460	0.8
86.09695	100.0
87.00814	0.4
87.05581	1.4
87.10023	0.8
88.03980	3.2
91.05471	9.6
93.04531	1.3
95.06059	0.8
97.07643	1.0
98.02412	0.9
100.29346	0.4
101.07130	1.0
102.05521	1.9
104.05292	0.8
106.05013	1.1
107.04954	1.2
109.06436	0.5
110.07155	14.1
110.12126	0.4
111.07475	1.6
112.08711	0.9
115.08685	1.0
116.07039	1.0
119.04925	7.6
120.08087	3.6
121.06565	0.5
122.06036	1.2
124.07572	0.8
125.07104	1.3
127.03941	0.5
127.05000	0.6
127.08680	0.5
129.06577	0.7
129.10228	5.4
130.06503	1.0
130.08601	1.1
131.08148	2.7
133.06067	1.0
136.07562	63.6
137.05940	1.0
137.06960	0.5
138.09056	0.6
141.10194	1.6
144.08040	0.6
146.05992	1.3
147.04372	2.7
147.07649	0.6
147.11298	0.8
155.08160	0.8
155.11734	0.4
156.07663	1.1
156.10199	1.8
157.09789	0.6
159.07625	1.9
159.09152	1.0
160.07561	1.1
160.09523	0.8
162.09155	0.9
163.03931	0.9
164.07056	0.7
166.08594	0.8
170.05983	0.6
173.12837	1.1
175.07196	0.4
177.05428	0.6
183.11221	0.8
185.09184	0.5
187.10728	0.6
188.07043	1.2
191.08200	0.7
198.20473	0.4
201.12302	11.4
205.09601	0.5
207.11292	2.8
213.08600	0.5
213.12476	0.8
219.13383	15.6
229.11803	3.4
230.11334	0.8
233.07030	0.8
233.09186	7.2
235.11911	3.1
236.12213	2.2
244.13063	0.5
245.09210	0.8
246.09521	0.6
251.10225	6.6
256.08884	0.5
262.06891	0.5
263.12256	0.6
267.13361	0.6
269.11288	1.8
274.12991	1.3
275.13318	1.3
279.09744	18.7
285.14163	0.6
295.98132	0.4
329.13782	0.6
346.17603	1.6
347.16132	0.6
360.17352	1.3
364.18655	1.8
392.18161	6.1
404.18930	1.3
461.20148	0.7
479.15952	0.7
479.22034	6.5
497.21863	1.6
497.27774	1.7
498.14764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.339
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.13419	0.4
54.63780	0.4
56.05008	1.2
57.07060	3.2
58.06593	1.6
60.08155	14.5
62.57930	0.4
66.57120	0.4
70.83746	1.2
71.07363	4.7
71.08614	1.6
77.55343	0.4
80.60281	0.4
81.07054	0.8
83.08622	0.5
85.10165	1.2
86.09695	45.2
87.10089	0.5
94.99780	0.5
95.08650	0.6
98.98450	3.1
104.10728	100.0
109.10204	0.7
124.99986	24.9
126.29953	0.4
126.33576	0.4
132.68829	0.4
144.08354	0.5
163.01431	0.6
184.07317	97.3
185.07755	0.6
193.52864	0.5
258.11069	1.2
308.07846	0.4
313.27396	2.2
397.08871	0.5
418.57159	0.5
419.25671	0.5
478.32855	9.9
496.33920	46.6
497.34360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21095	0.5
52.47675	0.5
55.01844	0.8
55.05503	3.6
55.81227	0.5
56.05020	1.3
57.81156	0.5
58.06599	3.9
62.18778	0.5
62.20876	0.6
67.05492	6.0
69.03410	0.8
69.07063	4.1
70.06583	21.2
71.04966	1.0
71.06936	0.7
71.27901	1.3
72.08128	1.5
79.05472	3.0
81.03403	1.0
81.06595	0.9
81.07043	12.4
82.06551	1.7
83.04938	1.3
83.08575	2.6
84.04469	1.8
84.08113	2.1
85.02875	2.2
85.06537	3.5
86.09713	2.8
87.00795	0.6
91.05455	1.9
93.07031	3.3
95.04960	1.3
95.08064	0.7
95.08601	10.3
96.08093	1.2
97.02866	0.7
97.06516	0.9
97.10138	1.2
98.09669	1.3
99.08017	0.6
105.01805	0.6
105.06978	2.2
107.08607	3.2
108.08118	0.9
109.02911	0.7
109.06493	1.0
109.10130	2.3
110.07132	0.7
110.09669	1.2
113.05971	1.5
117.06973	0.6
119.08542	2.1
121.10089	2.4
123.08025	1.0
123.11655	1.0
125.09599	0.6
127.03894	1.8
128.23630	0.6
131.08481	0.7
133.10114	1.2
135.11639	1.0
140.10699	0.7
145.10143	0.7
147.11728	0.8
151.69656	0.5
153.12721	0.6
163.11189	0.9
194.19043	1.0
220.16933	2.3
221.15460	1.2
222.18501	27.3
223.18860	1.8
238.18034	3.2
239.16304	0.7
239.18536	1.4
239.21030	0.6
240.19550	76.1
241.19914	4.6
256.18814	0.9
258.20618	2.3
265.22546	0.6
271.65955	0.6
278.99121	0.6
436.18497	1.0
464.17871	0.8
478.36276	6.9
495.84637	6.6
496.36292	100.0
496.85776	1.7
497.36676	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	497.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39715	0.5
64.97401	0.6
69.03257	0.5
70.06501	2.4
71.56214	0.4
71.56656	0.6
77.42544	0.5
79.68106	0.5
82.01397	0.5
82.99788	1.0
85.02840	1.1
86.09653	1.0
88.68238	0.5
94.99794	0.5
100.02396	0.6
101.00789	1.7
111.04009	1.1
118.03494	5.7
119.01889	5.3
126.02729	0.6
127.03515	2.6
129.04247	0.6
129.05072	7.2
130.03473	2.5
131.01816	2.1
133.06009	0.9
136.04517	4.6
136.07539	1.6
142.03424	0.6
143.01898	4.6
144.03810	0.8
145.03365	3.2
145.04523	6.6
147.01222	0.5
147.06100	5.4
148.04524	2.3
149.02893	0.7
154.03416	1.7
155.01802	3.3
155.02991	1.5
156.04938	1.8
157.03357	1.7
160.04457	1.1
161.02936	5.2
163.20914	0.5
167.01860	2.3
169.03340	0.8
171.06143	2.0
172.04532	14.8
173.02861	3.6
173.04097	22.3
174.05992	0.7
175.04407	0.8
180.01526	2.4
182.02826	0.6
183.06175	0.9
184.04474	1.2
185.02928	12.7
186.06039	0.6
186.97092	0.5
187.04459	0.9
190.05537	2.2
191.05118	18.6
192.05281	0.7
196.04404	0.7
197.02682	3.5
198.02483	3.2
198.06148	0.9
202.05585	0.6
203.03975	3.5
208.04535	1.0
210.02322	0.6
215.05107	100.0
216.03500	3.9
216.05318	2.2
221.02809	0.5
221.04976	0.9
226.05621	0.8
227.05170	18.9
228.05391	0.7
233.06216	1.4
239.05130	5.8
245.05222	14.7
246.05295	1.5
248.51965	0.5
251.05084	1.4
257.06320	3.0
263.06155	2.9
269.06186	3.2
269.28964	0.6
275.07220	20.8
281.06317	0.8
282.34787	0.5
287.07379	1.2
293.07172	1.2
299.07321	1.9
300.05893	0.9
305.07291	1.5
317.08224	24.6
318.08762	0.9
335.09277	18.1
336.09451	0.9
365.09354	2.0
377.10599	1.5
407.11871	1.4
480.12134	1.1
492.81442	0.6
497.15143	19.0
497.86545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.4
57.03433	0.2
57.07064	0.8
58.06625	0.5
58.08143	0.1
59.07389	0.2
60.08156	5.5
69.07056	0.2
70.06580	0.2
70.07101	0.3
70.07505	0.3
71.06972	0.2
71.07360	2.5
71.08617	0.4
80.08937	0.1
80.97437	0.1
81.07051	0.3
83.08610	0.1
85.10174	0.3
86.09692	28.3
87.10007	0.2
95.08582	0.2
97.10168	0.1
98.98440	2.0
99.21492	0.1
104.10726	2.8
124.99986	18.1
137.88953	0.1
143.01031	0.3
184.07314	100.0
185.07643	0.5
186.07761	0.1
238.17947	0.2
239.18832	0.1
258.11142	0.1
313.27332	0.2
478.32510	1.1
484.98270	0.1
496.33850	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	496.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05476	4.8
56.05019	1.1
56.81917	1.1
58.06570	3.4
67.05495	6.0
69.07040	5.5
70.02946	2.0
70.06582	21.3
70.57478	2.3
71.04968	2.0
72.08124	1.3
79.05466	3.9
79.93224	1.0
81.03427	1.7
81.07045	11.4
82.06568	1.7
83.08588	1.7
84.08126	3.9
85.06520	4.3
86.09688	4.4
91.05471	3.0
91.88161	1.2
93.07008	4.5
95.04926	2.1
95.08605	9.9
96.08089	2.3
97.02864	1.4
97.06508	1.7
97.10096	1.4
98.09626	2.3
105.07008	3.2
107.08601	3.2
108.08107	1.9
109.10135	3.7
110.09676	1.5
113.05978	1.7
118.45142	1.4
119.08567	2.2
120.08082	2.4
121.10097	1.4
122.09664	2.1
123.08054	1.4
123.11671	1.7
123.12589	1.1
127.03851	1.6
136.07553	1.5
138.09088	2.2
150.09119	1.6
160.03941	2.7
174.09122	8.3
188.10686	2.6
188.46008	1.2
190.04919	5.6
197.07066	1.6
199.08710	1.4
204.06534	1.9
211.08673	5.6
213.10237	1.8
220.16928	3.7
221.15384	2.5
221.17320	1.4
222.09038	1.3
222.18488	30.1
223.18784	2.8
224.09348	2.8
225.10136	8.1
227.11676	1.4
237.10207	1.4
238.07210	2.4
238.17973	6.4
239.08118	1.5
239.11755	5.7
239.16403	1.3
239.18513	2.7
240.12602	2.3
240.19554	74.7
241.09686	1.9
241.19873	4.8
243.11252	2.5
250.08745	1.7
252.08960	4.5
253.09680	5.2
255.11267	2.3
256.18976	2.3
267.11273	16.6
268.11957	1.4
269.09149	2.0
269.12796	1.9
271.10724	1.8
281.09155	2.7
284.11505	2.3
295.10767	24.2
299.10309	3.0
299.13889	5.3
301.12015	1.3
304.10883	1.6
304.87332	1.1
305.11423	2.6
306.12360	1.7
309.08951	2.1
309.12167	9.6
313.11786	4.8
318.12387	2.1
320.13834	3.8
320.17310	1.5
321.14664	1.5
327.13342	63.5
330.12418	1.9
332.14120	2.0
334.15424	3.9
335.16263	1.5
346.15561	1.7
348.13416	8.7
348.17117	2.3
362.14847	6.2
362.18768	2.9
364.16443	3.0
372.17212	1.9
375.16171	1.6
376.16492	4.7
377.17215	2.3
390.13733	1.9
390.18417	6.6
400.16388	5.2
403.15601	1.5
404.15967	2.1
408.14795	1.7
418.17474	10.4
420.19196	3.3
422.16843	4.9
436.18597	38.2
437.18823	2.7
446.16907	14.3
464.18097	66.5
465.18356	1.9
478.19836	14.4
478.36221	10.3
495.37030	3.7
495.85022	9.7
496.20920	27.3
496.36288	100.0
496.85211	2.6
497.21033	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	496.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.05024	4.0
60.04525	3.0
68.05022	0.9
69.03411	0.6
69.07040	1.3
69.52925	4.5
70.02934	1.1
70.06585	100.0
71.04998	0.7
71.06905	2.0
72.08146	5.8
74.02425	2.6
74.06069	3.1
81.04546	2.6
81.07024	0.7
82.05315	3.1
82.06579	0.5
83.05626	0.8
83.06095	12.4
84.04494	6.6
84.08133	10.6
85.02895	1.2
85.04050	0.6
85.08482	0.7
86.06041	0.6
86.09698	16.8
87.00819	0.5
87.05585	2.0
87.37047	0.5
88.03986	1.0
91.05447	2.5
93.04512	7.7
93.07061	0.5
95.04966	5.1
95.06071	1.0
97.02928	0.7
97.07657	2.7
98.06046	1.4
99.04440	0.9
101.07127	1.4
102.05531	2.9
104.05327	0.6
105.07041	0.7
109.02869	0.8
109.07660	1.4
110.07154	96.5
111.07492	0.9
112.08740	1.0
113.07111	0.9
115.08687	1.4
116.07086	1.6
119.04926	2.3
120.08085	5.8
121.03951	2.7
121.06481	0.7
121.07648	0.7
121.31680	0.6
122.02712	2.0
122.06031	0.6
122.07159	0.9
123.05581	1.0
125.07103	19.1
126.05503	1.1
127.03934	0.9
127.08646	0.8
129.10217	6.2
130.04982	2.2
130.06516	7.7
130.08647	1.7
132.08080	4.4
133.06055	1.1
135.08063	0.7
136.07573	12.4
137.07101	2.3
138.06593	1.8
141.06616	0.6
141.10255	1.0
144.08063	12.3
147.04376	2.5
147.07675	0.8
149.07054	2.8
149.09558	0.7
151.07588	0.6
152.08153	1.1
154.09752	0.9
155.08195	0.8
156.07715	0.9
157.07693	0.6
159.09164	19.1
160.07541	0.6
162.10252	4.6
163.03844	0.9
164.07001	0.8
164.08229	1.2
165.05550	0.7
166.06088	1.9
166.09746	0.6
169.07697	0.7
169.13318	0.8
170.05984	5.3
171.11343	1.3
173.09245	0.9
173.12823	1.5
177.05487	0.6
177.09062	1.4
178.06084	0.5
181.09700	1.0
182.09595	0.6
187.07451	1.6
187.08870	1.1
195.09995	2.4
199.10785	1.3
201.12329	3.8
202.08394	0.7
203.08098	2.7
207.12477	1.5
211.12311	1.6
213.11214	1.7
217.10855	7.3
223.10777	1.2
229.15385	0.6
233.09193	0.6
234.13533	4.2
235.11877	65.0
236.12158	1.0
245.09196	19.0
246.13412	4.5
251.10274	0.8
251.14836	0.6
256.14447	7.5
262.11835	5.6
274.12961	32.4
278.15546	0.6
279.09830	1.2
284.13828	6.5
286.12936	4.3
296.12515	1.1
296.15967	0.5
298.17471	4.0
299.09647	0.6
334.13239	2.3
359.17117	21.0
364.18790	0.7
403.18716	16.6
421.19736	1.5
478.21954	71.7
479.21744	2.7
495.74533	0.6
496.22409	11.0
496.28754	3.8
497.23856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05708	1.2
57.03373	0.5
57.70193	0.5
58.06504	5.1
58.06820	1.1
67.05397	4.4
67.05783	0.6
69.06958	2.2
70.06486	34.2
70.06911	4.2
70.07123	1.3
72.08089	0.7
79.05376	3.1
81.06938	5.2
81.07449	1.1
83.04855	0.6
83.08497	2.2
84.08051	0.9
85.06465	1.0
91.05335	1.5
91.39948	0.5
93.06921	3.9
95.04844	1.4
95.08584	5.4
96.08009	2.4
97.06401	0.6
97.10154	3.6
98.09627	0.8
103.65124	0.5
105.06900	1.2
107.08550	2.7
108.08004	0.8
109.06371	2.0
109.10058	1.1
110.09550	0.9
113.05873	1.1
119.08491	1.0
119.68765	0.5
121.10033	1.1
121.55621	0.5
121.56441	0.6
122.09524	0.8
123.07967	0.6
125.09612	3.1
135.07927	0.5
135.11555	1.8
145.09993	0.8
153.12709	1.0
163.11049	0.9
169.09943	0.5
181.12061	0.5
185.13182	0.9
189.11095	1.1
198.06494	0.5
203.14212	0.8
211.75992	0.5
220.16959	3.7
221.15367	4.5
221.18408	0.4
221.20081	6.0
222.18498	51.8
238.17975	7.3
239.16298	2.1
239.21146	5.8
240.19580	5.5
256.19046	6.6
311.95505	0.5
347.44559	0.5
419.82907	0.6
458.92889	0.5
459.35535	1.8
477.36826	100.0
478.37198	2.4
495.37881	96.0
496.38361	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	495.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05505	10.7
56.05028	11.9
57.01557	0.6
57.05803	1.3
57.07067	6.8
61.01139	11.9
65.93738	0.5
67.05493	1.9
69.03421	0.9
69.07056	1.1
70.04012	2.2
70.04435	1.5
70.06578	10.0
72.08144	100.0
73.02912	0.8
73.04015	0.5
73.08469	0.7
74.06070	1.1
75.02717	0.6
76.67022	0.5
79.05464	1.3
81.07047	2.4
82.06564	2.5
83.08577	0.7
84.04494	1.4
84.08138	5.0
85.02913	1.3
86.09692	6.2
87.05607	0.6
91.05466	1.6
93.07038	1.2
95.08595	1.6
96.08116	1.2
97.02850	0.8
98.09663	0.7
102.05550	0.7
104.05315	33.2
105.07045	1.7
107.08587	0.9
108.08115	0.8
109.02855	0.6
109.10129	1.4
110.07166	2.4
110.09649	5.0
116.07098	0.7
119.04970	0.6
120.08090	13.0
121.08412	0.7
124.11269	0.7
127.08681	2.2
129.10228	3.4
132.04817	1.5
133.10185	1.0
135.11673	0.5
136.07585	1.0
147.70935	0.7
155.11781	2.3
156.07695	0.8
158.09973	41.0
159.10374	0.5
166.08615	10.6
171.14949	2.1
173.12857	0.7
186.09537	1.1
199.14400	3.0
201.12360	0.7
203.12102	54.0
204.12396	1.4
219.15105	0.8
220.16847	2.7
221.17439	0.8
222.18530	4.0
226.15686	0.7
231.11594	54.5
232.11800	0.7
238.17982	11.5
239.18752	1.8
239.68889	0.9
240.19588	13.2
241.19894	1.5
242.20229	0.7
254.17465	1.3
255.18079	0.6
256.19144	3.0
265.15445	45.5
266.15765	1.0
285.16406	1.6
330.18411	12.7
364.22260	1.0
373.13733	1.0
475.35126	0.7
477.36758	11.9
495.18616	2.4
495.26797	1.1
495.37296	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76767	0.3
53.00537	0.3
53.15954	0.3
55.05504	2.6
56.05047	0.9
57.03427	0.4
57.07069	0.8
58.06619	1.1
60.08153	15.1
62.06083	0.7
64.43739	0.3
67.05508	1.4
69.07051	2.6
70.06603	1.3
70.93476	1.1
71.07362	6.3
71.08644	0.8
79.05489	0.6
81.07064	1.5
83.08612	2.4
84.08147	0.4
86.09690	49.6
89.06022	1.0
91.05504	0.4
93.07031	0.5
95.08617	0.9
97.10150	1.3
98.98463	3.4
99.98107	0.4
104.10723	100.0
107.08565	0.5
121.10123	0.5
124.99979	25.9
133.08557	0.5
151.84422	0.3
163.01447	0.6
184.07310	95.4
185.07596	0.7
188.46086	0.4
218.15228	0.9
219.15572	0.6
220.16757	0.5
222.18275	1.3
223.18626	1.5
236.16222	1.4
237.16631	0.7
238.17743	1.3
239.18080	1.0
240.19524	2.9
241.19844	3.0
254.17236	1.5
255.17783	1.7
258.10794	0.4
273.18597	0.6
311.25314	1.4
476.31064	10.1
476.40805	0.6
494.31000	31.8
494.46497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.01863	0.8
55.05266	0.2
55.05507	2.8
56.05013	0.5
58.06592	2.4
65.03918	0.3
67.05495	5.9
67.75361	0.2
69.03432	1.1
69.07060	1.9
70.06584	10.1
71.03419	0.4
71.03779	0.2
71.04971	0.4
71.06889	0.2
72.08123	0.4
79.05482	3.1
80.04981	0.4
81.03401	1.2
81.06572	0.3
81.07044	5.9
82.06550	0.9
83.04962	1.2
83.08609	1.7
84.04484	0.9
84.08151	0.9
85.06535	0.4
85.46600	0.2
86.09696	0.3
87.04454	0.3
91.05466	2.2
93.07031	3.1
94.06548	0.4
95.04953	3.6
95.08600	4.5
95.84029	0.2
96.08129	1.7
97.06477	0.5
97.10172	1.5
98.09673	1.0
105.07020	1.5
106.06548	0.3
107.04926	0.4
107.07347	0.3
107.08574	1.5
108.08103	0.6
109.06518	1.1
109.10136	2.1
110.09647	0.9
111.04425	0.5
111.08054	0.5
113.05969	0.4
117.07008	0.7
119.08562	1.4
120.08076	0.4
121.06469	0.5
121.10133	1.1
122.09682	0.3
123.08057	0.3
123.11683	0.3
124.11172	0.3
125.09602	1.0
129.05475	0.4
129.06967	0.2
131.08562	1.4
133.10098	0.8
135.08086	0.4
135.11687	0.7
137.09659	0.2
139.07530	5.2
140.10681	0.3
145.10104	1.4
145.11079	0.2
147.11676	0.8
149.09587	0.8
149.13237	0.2
154.12294	0.2
157.10086	0.4
159.07971	0.2
159.11684	0.6
163.11176	5.0
165.12717	0.2
173.13196	0.3
175.11050	0.2
177.05406	0.2
177.12799	0.3
187.14810	0.4
189.38426	0.2
191.14360	0.2
193.12239	0.5
194.19006	0.4
201.12726	0.5
204.17375	0.2
209.15451	0.3
218.15469	0.3
219.13779	1.2
219.15639	0.4
220.16933	1.3
221.17245	0.5
222.18509	31.4
223.18863	1.3
236.16417	0.6
237.14783	5.2
237.16776	0.4
238.18071	1.2
239.18314	0.7
240.19557	14.8
241.19894	1.7
254.17442	1.0
255.15634	0.4
255.18103	1.0
258.20593	0.2
272.18130	0.2
273.18921	0.3
476.33850	1.3
477.36963	0.2
494.34747	100.0
494.84302	1.6
495.34958	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28666	0.2
55.05458	0.6
56.04987	0.5
57.03389	0.2
57.07037	0.4
58.06577	0.7
59.07369	0.4
60.08156	6.3
60.08443	0.3
61.07010	0.2
67.05456	0.6
69.07018	0.7
70.06543	0.5
70.26081	0.6
71.07365	3.1
79.05479	0.2
81.07040	0.3
83.08579	0.6
86.09692	32.2
93.06979	0.2
95.08598	0.2
97.10143	0.4
98.21503	0.2
98.98450	2.7
104.10036	0.3
104.10732	6.1
104.16476	0.2
107.08588	0.2
111.21710	0.2
121.10104	0.2
124.99986	21.5
135.11708	0.2
143.01074	0.5
184.07312	100.0
185.07811	0.3
219.15887	0.3
221.17572	0.2
222.18741	0.7
223.19048	0.5
236.16531	0.3
237.17065	0.3
238.18111	0.3
240.19501	0.9
241.19977	1.0
254.17863	0.7
255.18149	0.5
258.11270	0.3
259.21164	0.2
272.18698	0.2
314.60049	0.2
476.32535	1.5
493.84683	0.3
494.32626	1.0
494.38126	6.8
500.26215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.05013	1.2
58.06575	0.4
60.04516	6.9
60.30056	0.2
67.05505	1.6
67.81704	0.3
68.05019	0.5
68.05811	0.3
69.07049	1.1
69.34231	0.6
69.34631	2.9
70.02929	0.4
70.06197	0.3
70.06582	4.9
70.07401	0.5
71.06913	0.5
72.04500	0.9
72.08137	0.8
79.05482	1.4
80.04998	1.0
81.07056	1.8
82.06533	0.7
82.07352	0.5
83.08605	0.3
84.04489	16.6
84.08132	1.1
85.02873	0.5
86.09692	27.0
87.05579	6.1
91.05463	1.3
93.07054	2.0
94.06557	0.9
95.04984	0.3
95.08591	1.7
96.08125	0.8
96.08936	0.3
97.08463	0.4
97.10140	0.9
100.92295	0.3
101.07117	2.9
102.05520	0.6
103.05456	4.0
105.07014	0.5
106.06545	0.5
107.07395	0.3
107.08558	0.6
108.08111	1.1
110.07145	0.9
110.09678	0.6
119.08557	0.3
120.08086	100.0
121.08450	0.6
122.09624	0.5
128.10693	4.5
129.10248	0.7
130.04982	32.4
131.04945	1.5
132.08064	0.3
133.10126	0.4
135.08109	0.3
136.07491	0.4
147.07623	44.8
148.07858	0.4
156.07730	0.5
165.10220	2.0
173.12834	32.5
174.13060	0.4
185.82021	0.3
190.15768	0.3
201.12321	15.2
207.15761	0.3
208.17027	0.5
210.09213	0.3
218.15425	1.1
219.15724	0.7
220.16917	2.8
221.17256	2.1
222.18498	4.6
223.18832	3.7
236.16423	1.2
237.16743	1.9
238.17967	6.8
239.18307	4.7
240.19589	3.2
241.19922	2.8
254.17462	1.3
255.17693	1.4
256.19006	2.4
257.19345	2.1
259.10788	0.4
260.09036	0.5
272.18417	1.5
273.18900	1.2
275.17441	0.4
276.13315	1.5
277.11789	5.6
294.14432	53.7
295.14963	0.6
303.16931	3.0
348.19156	7.0
348.23212	0.5
365.21875	0.5
407.22800	0.5
476.25189	0.6
476.35587	2.3
493.36346	2.2
494.26477	2.0
494.36615	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01856	1.0
55.05503	5.2
56.05017	1.5
57.03418	1.6
58.06586	2.2
59.04976	1.2
60.04507	1.4
61.02906	0.8
67.05495	7.9
68.05029	0.9
68.05828	1.2
69.03410	3.1
69.07055	7.6
70.06198	1.1
70.06580	16.9
71.01344	0.5
71.04985	3.7
71.06907	2.3
72.08139	2.4
73.02900	1.1
79.05483	5.4
80.05010	1.9
80.05811	0.6
81.03410	2.0
81.07041	9.9
82.06571	1.3
82.07381	1.2
83.04962	0.7
83.08601	5.3
84.04484	1.5
84.08146	2.5
84.08926	0.6
85.02885	7.6
85.06536	2.1
86.06047	0.6
86.09698	5.5
87.00789	2.5
89.06022	1.1
91.05458	3.8
93.07027	7.4
94.06548	2.6
94.07374	1.2
95.04955	1.6
95.06863	0.7
95.08583	12.4
96.08113	3.5
96.08878	0.6
97.02867	3.0
97.06496	3.7
97.08440	0.5
97.10158	1.9
98.06030	0.5
98.09672	0.9
99.04441	2.9
99.08089	1.0
105.01859	2.9
105.06999	4.3
106.06562	1.1
106.07305	0.6
107.04939	1.3
107.07326	2.3
107.08570	9.2
108.08144	3.7
108.08820	0.9
109.02874	1.8
109.06499	3.2
109.08444	0.8
109.10136	14.8
110.07150	0.9
110.09683	0.8
110.10442	0.8
111.08064	1.4
111.11713	1.2
113.05990	1.1
113.09633	0.6
115.07542	2.7
117.06945	0.5
119.08554	5.8
120.08079	4.7
120.08864	0.9
121.08350	0.7
121.10110	5.2
122.09664	3.4
123.04405	1.0
123.08075	2.0
123.11678	4.2
124.07610	0.5
124.11248	1.3
125.09632	1.6
127.03880	4.6
127.08688	0.5
127.11207	2.8
129.10176	1.2
131.08556	0.5
133.08597	0.6
133.10092	10.1
135.04358	0.6
135.11662	11.1
136.07533	1.1
137.05949	1.0
137.09607	2.5
139.11115	0.6
141.12744	0.7
145.04959	1.9
145.10042	1.2
146.10443	0.6
147.11717	1.8
149.13216	2.9
151.14775	0.6
153.12761	2.5
155.10619	0.7
159.02908	1.4
159.11690	0.8
161.13281	0.6
165.12773	0.9
165.16438	0.5
170.11713	1.0
173.11771	1.0
175.14799	17.9
177.16353	11.8
181.10292	0.4
181.12340	0.5
185.13251	0.6
187.14700	0.6
190.15945	0.8
191.16284	0.8
192.13860	0.7
193.15854	24.5
202.15858	0.7
208.16936	0.7
209.05923	0.6
209.17226	0.8
211.16890	31.7
218.15399	3.9
219.15742	2.4
219.18585	1.7
220.16925	14.6
220.18854	1.5
221.15341	0.9
221.17256	10.4
222.15916	1.0
222.18480	8.4
223.18810	6.0
225.06622	0.7
231.04939	1.1
236.16367	3.2
237.09138	0.8
237.16803	3.2
237.19574	1.6
238.17932	13.7
238.19768	1.1
239.18535	11.1
239.68890	3.3
240.19525	14.3
240.21841	1.0
241.19864	10.5
246.11211	3.9
249.06064	0.9
251.11758	1.2
253.15396	0.5
254.17442	7.5
255.17830	6.0
256.19006	3.9
257.19443	2.7
265.09436	0.7
271.07281	0.7
273.18915	1.0
279.11246	1.3
283.09689	1.1
325.11719	1.7
332.27835	2.4
353.11130	0.9
385.13876	2.9
409.09421	0.8
423.20221	0.9
434.13242	0.7
458.34171	1.0
462.20557	1.0
475.35458	2.4
476.35559	43.6
477.36594	0.9
493.36230	3.5
494.36615	100.0
494.84561	0.6
495.37964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70011	0.3
55.01867	0.4
55.05503	2.6
56.05028	1.1
56.26442	0.4
57.03421	0.4
57.68000	0.4
58.06580	1.8
64.93017	0.4
65.03940	0.5
67.05164	0.4
67.05498	4.9
67.39581	0.3
69.07056	2.2
70.06583	8.1
70.46548	0.3
70.80239	1.0
70.80583	0.5
71.04974	0.4
71.94162	0.3
79.05489	2.6
79.34531	0.3
80.05003	1.1
81.07046	5.8
82.06567	2.3
83.08611	1.1
84.04488	0.4
84.08131	7.0
85.06536	0.7
86.06038	0.5
90.72263	0.3
91.05469	1.6
93.07049	1.7
94.06553	2.9
95.04971	0.7
95.08588	3.4
96.08128	3.3
97.06518	0.4
97.08919	0.5
97.10174	0.6
98.09669	1.0
105.07023	1.4
106.06542	1.1
107.07340	2.4
107.08578	1.4
108.08088	2.7
109.06527	0.6
109.08917	0.5
109.10132	0.8
110.09673	2.7
112.07650	0.5
117.06999	0.7
119.08581	1.3
119.96785	0.4
120.08120	1.4
121.10130	0.7
122.09660	2.7
124.07566	0.4
124.11230	1.0
125.09644	0.4
131.08560	0.6
134.09660	1.5
135.11635	0.4
136.07529	0.7
136.11183	0.8
146.53223	0.4
148.11253	0.4
161.09630	0.8
170.11665	0.5
176.14378	0.8
190.15839	2.1
204.13849	2.4
208.13322	0.5
218.15364	5.6
220.16978	2.8
222.15158	3.2
222.18501	19.6
224.16458	0.5
236.16428	16.2
238.18005	6.0
239.18315	0.5
240.19560	28.2
241.20020	0.5
254.17467	8.0
256.19046	1.2
258.20563	0.7
272.18558	1.6
337.10599	0.4
442.46262	0.4
475.35178	7.9
493.36276	100.0
494.36459	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	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
55.05495	5.9
56.05025	1.2
57.03432	0.9
58.06591	2.6
59.04973	0.6
60.04506	1.9
61.02922	0.7
63.27588	0.5
65.03947	1.1
65.64450	0.4
67.05493	7.8
68.05840	0.7
69.03413	3.6
69.07058	8.3
70.06583	19.0
70.07384	0.7
71.04988	3.0
71.06918	1.7
72.08144	1.9
73.02916	1.0
74.06044	0.7
79.05479	6.3
80.05008	1.5
80.05800	0.5
81.03394	2.6
81.07043	8.7
82.06564	1.5
82.07362	1.1
83.04974	1.3
83.08604	4.8
84.04494	1.5
84.08137	2.8
85.02892	6.8
85.06528	1.7
86.06053	0.7
86.09697	5.1
87.00828	2.6
87.04459	0.7
87.93830	0.5
89.06018	1.0
91.05462	3.8
92.05787	0.7
93.05801	0.5
93.07026	8.6
94.06562	2.5
95.04956	1.9
95.06909	0.4
95.08595	14.2
96.08131	3.0
96.08915	1.0
97.02864	3.3
97.06523	2.8
97.08433	0.4
97.10146	3.1
98.09673	0.9
99.04431	2.1
99.08080	0.6
105.01868	2.7
105.07009	4.0
106.06548	1.1
107.04950	0.9
107.07351	2.1
107.08576	10.2
108.08113	4.2
108.08873	1.0
109.02864	2.0
109.06489	2.6
109.08446	0.7
109.10135	17.7
110.07198	0.9
110.09706	1.1
111.03201	0.5
111.08071	1.7
111.11703	1.4
113.06008	0.5
115.07542	2.9
117.07013	0.7
119.08567	7.2
120.08097	5.0
120.08866	0.8
121.08422	0.6
121.10110	5.3
122.09650	3.7
123.08028	2.6
123.11678	4.1
124.11237	1.7
125.09657	1.6
125.11555	0.6
127.03896	4.9
127.11160	2.9
128.06297	0.5
129.10219	0.9
131.08575	0.9
132.08009	0.5
133.08554	1.0
133.10107	10.5
134.09641	1.2
135.11664	13.3
136.07555	1.1
137.09567	2.9
137.13258	0.5
145.04953	1.6
145.10114	0.9
147.04385	0.6
147.11708	1.9
149.13210	2.5
151.14815	0.6
153.12689	2.3
157.09923	0.5
159.02907	1.1
161.13321	0.6
163.11182	0.7
165.12788	1.0
165.16437	0.6
170.11797	1.0
173.11758	0.6
175.14790	20.0
177.16348	12.1
189.11186	0.7
190.15948	1.2
192.17467	0.5
193.15848	23.5
194.18974	0.4
202.15938	0.9
206.15491	0.7
208.17023	0.6
209.15387	0.8
211.16905	31.7
218.15343	4.1
219.15669	3.2
219.18629	1.2
220.16945	15.8
220.18782	1.1
221.15378	0.7
221.17264	11.1
222.15732	0.7
222.16130	0.8
222.18521	7.0
223.18878	5.0
231.04948	1.3
235.15219	0.5
236.16452	3.4
237.08835	0.6
237.16878	2.9
237.19618	1.4
238.17967	14.0
239.08372	0.5
239.18501	10.4
239.68964	3.5
240.19545	17.6
241.19897	9.3
246.11124	3.0
248.66966	0.5
249.06255	0.7
251.11777	1.3
254.17479	8.0
254.19904	0.6
255.17845	6.4
256.19116	3.6
257.19370	3.6
265.09656	0.5
272.18607	1.5
273.18869	1.1
279.11331	1.4
281.12473	0.5
283.09775	1.0
284.09708	0.5
294.20764	0.5
297.12424	1.1
307.11029	0.6
314.26846	0.5
325.12021	1.2
332.27945	1.8
353.11273	1.2
381.09702	0.5
385.13828	2.7
385.95169	0.5
409.09293	0.6
423.20090	0.9
441.21283	0.9
458.34723	1.2
462.20923	1.1
470.47104	0.5
475.35385	4.9
476.35577	42.6
477.36533	1.3
493.36261	8.8
494.36642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35632	0.5
53.03918	0.7
54.72508	0.4
55.01863	0.7
55.05495	3.1
56.05014	1.3
58.06584	2.8
61.83751	0.4
65.03941	0.6
65.78471	0.4
67.05161	0.6
67.05499	7.4
68.05002	0.6
69.07050	2.4
70.06200	0.4
70.06578	10.1
71.04972	0.6
71.58736	0.9
72.08137	0.5
79.05485	3.5
80.05013	1.3
81.07043	6.8
82.06566	2.9
83.08614	1.6
84.04508	0.6
84.08130	9.7
85.06524	1.3
91.05460	2.0
93.05772	0.5
93.07016	2.8
94.06547	3.9
95.08598	6.2
96.08119	3.2
97.08898	1.3
97.10162	1.2
98.09681	1.5
99.07973	0.5
105.07015	1.8
106.06548	1.7
107.07328	3.6
107.08598	1.9
108.08105	3.9
109.08891	1.2
109.10125	1.1
110.09676	4.0
112.07595	1.1
117.06990	0.6
119.08549	1.9
120.08085	2.4
121.10123	1.5
122.09642	4.5
124.07589	0.6
133.10126	0.9
134.09644	2.0
136.07568	1.2
136.11203	1.0
140.10780	0.5
150.12766	0.5
157.48940	0.5
161.09604	2.1
162.12804	0.9
176.14316	0.9
190.15858	2.5
192.17488	0.4
194.15338	0.5
194.19002	0.7
200.14363	0.9
204.13828	3.9
218.15373	9.4
220.16895	2.4
222.15071	7.0
222.18491	28.9
223.18799	0.7
226.18037	1.0
236.16417	26.2
237.16869	0.8
238.18008	5.7
240.19556	33.5
241.19946	1.0
252.16010	1.2
254.17499	6.4
256.19153	0.6
257.58691	0.5
258.20493	0.6
272.18616	2.1
307.46829	0.5
323.27136	0.6
363.61060	0.5
366.26425	0.6
457.34109	0.9
475.35281	12.4
493.36298	100.0
494.36584	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.04998	0.8
58.06601	1.4
65.03908	0.7
67.02789	0.3
67.05495	5.7
68.04987	0.7
69.07063	1.2
69.55670	0.3
69.56013	1.0
69.56497	1.3
70.06252	0.4
70.06583	4.4
70.18718	0.3
72.08128	0.4
73.61005	0.3
79.05490	2.3
80.05033	1.4
81.07045	3.8
82.06559	1.6
83.04993	0.4
83.08590	0.7
84.08093	0.7
90.31385	0.3
91.05444	1.1
93.05763	0.6
93.07022	1.0
94.06553	1.7
95.04926	0.3
95.08590	3.1
96.04498	0.2
96.08106	1.3
97.06487	0.3
97.10155	0.6
98.09663	1.1
105.06990	0.8
106.06526	1.7
107.07337	3.5
107.08543	1.3
108.08121	1.6
109.10126	0.7
110.09679	0.3
117.07034	0.3
119.08551	0.6
120.08103	2.0
121.10130	0.4
122.09612	0.3
123.11670	0.3
124.07561	0.3
124.11209	4.0
131.08504	0.3
132.08034	0.4
134.09642	1.0
134.90373	0.3
138.09058	0.3
146.09636	0.4
146.90039	0.3
148.11185	0.4
152.10683	0.5
170.11760	2.3
174.12816	0.3
188.14368	0.4
190.15910	2.5
192.13808	0.5
200.14308	0.6
206.15375	1.8
208.16985	1.4
210.14937	0.3
218.15372	8.9
219.15742	0.3
220.17067	0.6
222.15118	0.4
222.18506	9.1
223.18806	0.4
224.16472	1.5
226.18047	0.8
236.16412	9.2
238.17995	1.5
239.18642	0.4
240.19550	35.2
241.19902	1.1
254.17479	28.2
255.17812	0.9
256.19202	0.5
258.20663	0.8
258.59546	0.3
263.95688	0.2
272.18579	0.8
281.84503	0.3
475.34940	1.3
493.36295	100.0
494.36734	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	493.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05504	2.0
56.05018	1.0
58.06589	1.2
65.03936	0.3
67.05210	0.3
67.05499	3.5
68.05014	0.6
68.05817	0.2
69.07057	1.0
69.43292	1.5
69.43719	1.3
70.06234	0.4
70.06586	5.6
72.08114	0.3
79.05484	2.1
80.05003	2.3
81.06626	0.3
81.07054	3.5
82.06565	1.3
83.04952	0.3
83.08596	0.8
83.73907	0.2
84.04485	0.7
84.08153	1.6
85.06534	0.4
86.06041	0.7
86.09694	1.1
91.05462	0.8
93.05814	0.3
93.07033	1.9
94.06561	1.5
95.04926	0.3
95.07294	0.3
95.08592	3.3
96.08096	1.6
97.06486	0.3
97.10174	1.1
98.06062	0.5
98.09670	0.7
105.07020	0.9
106.06538	1.1
107.04978	0.3
107.07342	1.1
107.08575	1.3
108.08100	1.4
109.06480	0.4
109.10135	0.5
110.07085	0.3
110.09660	0.6
110.28748	0.3
112.07553	0.3
117.07020	0.4
119.08546	0.6
120.08092	2.8
121.06455	0.5
121.08897	0.2
121.10126	0.6
122.09675	0.5
123.08070	0.3
124.11182	1.3
125.09608	0.8
129.52794	0.2
130.04980	0.8
131.08556	0.7
132.08075	0.4
133.10127	0.5
134.09639	0.4
135.11664	0.2
145.10115	0.3
146.09633	0.3
147.07646	0.7
147.10521	0.3
147.11662	0.5
153.09117	0.3
170.11745	0.6
173.12895	0.6
176.58209	0.3
180.13803	0.4
190.15919	1.0
192.13809	0.6
194.15373	0.4
194.19026	0.3
198.14912	0.5
200.14377	0.3
201.12354	0.2
206.15413	0.7
208.16924	1.5
210.14896	0.9
218.15387	3.7
219.13782	0.3
220.16989	1.2
221.20168	0.6
222.18503	19.0
223.18811	0.4
224.16278	0.4
226.18016	0.6
234.14861	0.7
236.16434	7.4
238.17995	3.6
239.21205	1.0
240.19554	16.2
252.16040	0.3
254.17488	6.9
256.19061	1.6
258.20642	0.4
272.18536	8.7
294.14386	1.2
398.82767	0.3
455.70908	0.2
475.35291	4.3
493.36298	100.0
494.36612	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	493.2805
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05508	4.1
55.11884	0.2
56.05019	0.5
57.05806	0.4
58.59720	0.2
67.05495	1.2
69.07056	0.5
70.06586	1.4
70.93637	0.4
70.93973	0.4
72.08146	46.5
73.08498	0.3
75.25108	0.3
79.05468	0.6
80.05010	0.3
81.07029	1.0
82.06573	0.3
83.08615	0.3
84.08108	0.5
91.05479	1.0
93.07046	1.3
94.06557	0.7
95.05006	0.3
95.08596	0.7
96.08117	0.6
103.05457	2.4
105.07014	0.6
105.51732	0.2
106.06506	0.6
107.07346	0.6
107.08537	0.3
108.08099	0.6
119.08524	0.3
120.08087	100.0
121.08417	1.0
124.11178	0.4
126.12825	0.6
127.41420	0.2
129.06940	0.3
130.06500	0.3
131.08568	0.3
134.09676	0.3
136.76709	0.3
138.09180	0.3
147.19791	0.2
156.81673	0.2
170.11752	0.5
171.14900	7.7
171.16304	0.5
174.12749	3.0
199.14394	6.2
208.16943	0.3
214.15865	0.2
218.15340	1.6
219.14900	18.4
220.15163	0.4
220.16980	0.9
222.12781	0.8
222.18526	3.6
236.16402	2.3
238.17967	2.1
239.18265	0.4
240.19574	7.3
247.14394	19.8
248.14777	0.4
254.17470	4.8
256.19083	1.0
258.20743	0.2
267.14896	8.9
272.18524	1.0
273.19543	1.5
295.14383	11.4
296.14673	0.5
298.37585	0.2
301.19037	3.8
307.45328	0.2
321.19580	1.1
328.20038	0.3
346.21201	10.1
349.19077	2.2
394.21191	8.7
422.20486	0.5
448.25885	1.0
465.28644	1.7
475.35226	1.1
493.36209	28.5
494.36581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	0.3
55.05505	2.3
57.03410	0.3
58.06572	0.5
61.95819	0.3
66.41682	0.2
67.05497	2.9
68.48436	0.3
69.03403	0.8
69.07056	2.8
70.06580	1.6
70.06893	0.3
71.04954	0.3
79.05482	2.8
80.04987	0.5
81.03405	0.6
81.07041	2.6
82.06555	0.9
83.04949	0.8
83.08577	1.2
84.04478	0.3
84.08117	0.3
86.09677	0.3
91.05476	1.9
93.05775	0.4
93.07028	2.7
94.06557	2.9
95.04953	3.0
95.08571	1.3
96.08119	2.5
97.06470	0.3
97.10172	1.4
97.10679	0.3
98.20789	0.6
105.07030	1.4
106.06582	0.3
107.07321	3.2
107.08553	1.5
108.07453	0.5
108.08109	6.6
109.06461	0.8
109.08872	0.3
109.10124	0.9
110.09650	0.7
111.08077	0.8
112.57238	0.3
117.07004	0.7
119.08582	1.3
120.08090	2.1
121.06464	0.3
121.08851	0.9
121.10102	0.5
122.08850	0.4
122.09657	4.2
124.11187	0.8
125.09628	0.7
129.05453	0.4
129.06969	0.4
131.08517	1.2
132.08029	0.5
133.10112	0.7
134.09616	1.1
135.10367	0.3
135.11595	0.8
136.11224	0.4
139.07521	3.4
143.08493	0.3
145.10071	1.4
146.47432	0.2
147.11662	0.6
148.11099	0.3
149.09615	0.5
157.10104	0.6
163.11150	3.6
164.14320	0.3
170.11707	0.5
173.13284	0.3
175.14803	0.3
176.14287	0.8
185.13245	0.3
190.15979	0.4
192.13789	0.4
192.17442	1.5
193.12219	0.4
201.12674	0.4
202.15912	1.9
218.15393	1.1
219.13795	0.6
220.16933	41.1
221.17288	1.1
236.16388	0.4
237.14790	3.3
237.16917	0.4
238.17981	10.7
239.18324	0.9
240.19551	0.4
254.17705	0.4
255.15784	0.4
256.19110	1.5
313.65231	0.3
474.31836	0.9
484.38620	0.3
492.33163	100.0
493.33334	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.05025	0.5
65.03921	0.4
67.05489	4.5
68.05015	0.7
69.03411	0.3
69.07050	1.8
69.61102	0.5
69.61545	2.2
70.06586	2.0
72.08128	0.4
79.05479	2.7
80.05001	1.6
81.07040	2.1
82.06565	1.4
83.04985	0.4
83.08611	0.7
84.04495	0.4
84.08123	0.8
86.09690	0.6
90.46230	0.3
91.05461	1.3
93.05782	0.6
93.07021	1.7
94.06548	2.8
95.04941	0.5
95.08588	1.8
95.91390	0.3
96.08115	3.3
97.10129	0.5
98.20771	0.5
105.06995	1.5
106.06541	1.1
107.07329	2.7
107.08566	1.8
108.08099	4.6
109.06522	0.4
109.08891	0.4
109.10137	0.3
110.09661	0.9
114.20823	0.3
117.07024	0.4
119.08590	1.1
120.08099	2.0
120.29150	0.3
121.10142	0.7
122.09646	1.8
123.10450	0.4
124.07580	0.4
124.11193	3.0
131.08554	0.7
133.10103	0.8
134.09650	0.9
136.11203	0.4
145.10147	0.4
146.09660	0.4
148.11198	0.4
152.10631	0.4
163.11154	0.4
170.11731	1.3
174.12732	0.4
175.14825	0.6
176.14343	0.6
187.13216	0.3
188.14311	0.3
190.15919	2.2
192.13841	0.5
192.17479	0.9
194.15376	1.0
202.15863	0.7
206.15411	1.3
208.16920	1.2
210.14990	0.4
212.16443	0.8
218.15372	6.8
219.15738	0.4
220.16930	17.6
222.14754	0.3
222.18559	0.6
224.16550	0.7
226.18063	0.9
234.14725	0.3
236.16405	7.8
237.00377	0.3
237.19479	0.4
238.17975	32.7
238.68202	0.4
239.18448	0.5
240.19548	2.7
252.15787	0.5
254.17480	17.1
256.19031	4.9
272.18472	2.0
274.20218	0.4
277.67392	0.3
473.33694	2.2
491.34738	100.0
492.35138	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	492.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43100	0.6
55.01848	1.5
55.03964	0.5
55.05488	2.2
56.04808	0.5
56.05027	5.4
57.03410	1.2
57.07050	1.6
58.99557	2.0
60.04498	2.7
61.01120	1.0
61.02906	0.9
63.96683	0.5
65.03914	0.8
67.05488	2.2
69.03418	32.7
69.07058	3.8
69.82874	4.0
70.02950	1.4
70.06580	51.6
70.18915	0.6
71.01324	0.7
71.04971	1.3
71.06902	0.6
72.08145	9.4
73.02889	1.6
74.02402	0.7
74.06051	3.2
76.02201	3.7
79.05466	1.9
81.03395	1.8
81.07033	4.5
83.04961	2.0
83.06087	2.0
83.08582	0.9
84.04019	1.1
84.04491	10.7
84.08133	12.7
85.02892	10.3
85.06508	1.7
85.08434	0.7
86.00605	0.6
86.09199	1.0
86.09689	16.8
87.04459	0.9
87.05561	1.5
87.10010	1.4
88.03975	3.7
89.03888	0.8
91.03950	0.8
91.05464	5.9
93.07005	3.7
95.04928	0.7
95.08589	6.4
96.08080	0.9
97.02885	3.3
97.06515	3.4
98.06026	1.0
98.20775	1.3
101.07096	2.7
102.05518	2.9
103.05428	0.7
104.05319	6.0
104.07084	0.7
104.26524	0.6
105.00033	1.5
105.07009	4.0
107.04893	1.5
107.08576	11.3
109.02833	1.6
109.06513	4.6
109.10126	1.5
110.07141	7.1
111.08071	1.2
112.07557	1.1
112.08744	1.4
113.04219	0.7
113.07100	0.9
114.05491	1.1
115.08640	1.2
116.07071	5.7
119.04914	1.4
119.08546	2.6
120.08082	15.8
121.06478	2.4
121.08412	1.1
121.10130	10.6
122.02708	20.6
123.08049	1.9
123.11694	6.3
125.07130	1.0
125.09611	15.9
125.36096	0.6
126.05420	0.7
127.03860	1.9
127.08628	1.4
129.10229	6.8
130.04990	3.7
130.06511	1.4
130.08609	0.7
131.08578	4.7
133.06055	2.1
133.10114	3.4
135.04349	1.4
135.08049	8.1
135.11676	4.5
136.07587	6.6
137.09552	1.1
139.08611	0.9
140.04651	0.7
141.10173	3.1
143.08495	1.3
145.02823	1.8
145.04901	1.6
145.10083	2.9
147.04370	2.7
147.07596	4.1
147.11697	3.0
148.05998	1.3
149.09586	8.7
149.13229	2.0
150.03136	0.7
151.11150	1.6
153.09082	5.7
155.06982	0.9
157.09734	3.2
158.10907	2.4
161.09470	0.7
162.07713	0.7
163.03839	2.6
163.07576	0.9
163.11177	2.2
163.14784	4.1
164.03554	0.8
165.12743	2.6
167.05223	1.2
167.10606	1.4
169.09708	1.6
171.07654	1.2
173.09323	0.8
173.13216	14.9
177.05469	2.1
179.03357	1.1
181.04927	2.6
181.12225	0.8
182.08170	1.7
183.08182	0.7
185.09180	2.2
187.10753	1.5
187.14330	0.9
191.14278	61.1
192.14598	1.8
196.05983	0.9
201.12283	0.9
205.09995	1.1
209.15335	100.0
210.15689	2.3
211.07376	0.7
212.10376	0.7
213.08707	1.4
215.13872	1.0
217.11668	1.2
223.11568	4.1
227.09085	5.3
233.05905	0.7
233.09561	1.4
234.06679	1.3
241.12561	5.2
242.05769	2.7
243.10117	0.9
244.12843	1.0
260.16006	2.5
269.03973	0.7
286.06210	4.5
287.05389	3.7
288.13647	0.8
299.05319	1.5
302.04245	1.0
315.04941	6.4
330.17249	11.0
331.08072	48.7
349.09369	3.3
358.09988	0.6
370.21890	0.8
387.20056	1.0
415.24011	0.7
440.41382	0.8
464.33331	0.9
474.14127	2.1
474.22925	0.6
492.15012	1.9
492.23810	3.8
492.34869	1.3
493.13354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01871	0.7
55.05505	3.3
56.05051	0.6
57.07079	0.5
60.73290	0.5
65.03909	0.4
65.83040	0.5
67.05492	4.9
68.05008	1.1
69.07062	3.9
69.52061	0.4
70.06589	3.2
70.12547	2.3
71.04948	0.6
79.05483	2.9
80.04994	1.3
81.07050	4.1
82.06573	3.0
83.08601	0.9
84.04457	0.5
84.07627	1.0
84.08130	15.0
85.06521	1.1
91.05488	2.2
93.07020	4.0
94.06557	5.2
95.07320	0.7
95.08602	1.8
96.08116	4.8
97.10165	1.1
98.09657	0.5
102.09154	0.6
105.07024	2.1
106.06523	0.7
107.07310	4.9
107.08581	1.7
108.08097	7.8
109.08923	1.4
109.10135	0.7
110.09664	3.2
111.10387	0.5
112.07604	1.5
117.06979	0.9
119.08552	1.4
120.08065	3.9
121.08857	1.0
121.10139	1.1
121.53107	0.5
122.09661	6.4
123.08006	0.6
123.10419	0.5
124.07582	0.7
124.11208	1.9
131.08598	0.7
133.10101	0.7
134.09604	2.3
135.10417	0.8
136.07507	0.8
136.11209	1.0
145.10112	0.6
147.11729	0.5
150.12679	0.5
152.10695	0.4
159.11797	0.6
160.11232	0.5
161.09602	1.8
162.12883	0.5
176.14397	1.2
190.15872	1.9
192.17442	1.1
200.14262	0.8
202.15912	1.7
204.13847	2.1
208.13387	0.6
208.16776	0.6
210.14795	0.6
218.15373	6.6
220.16930	30.3
222.14867	2.8
222.18481	1.0
226.18022	0.7
234.14819	0.5
236.16415	18.7
238.17976	35.9
239.18271	0.8
240.19565	3.0
252.15955	0.9
254.17473	5.2
256.19009	4.2
272.18625	1.8
316.97900	0.5
321.25439	0.7
337.38928	0.5
455.32892	1.3
459.32178	0.7
473.33734	18.4
491.34744	100.0
492.35080	2.9
492.41479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31910	0.2
55.05505	1.3
55.09840	0.2
56.04997	0.5
56.99585	0.2
57.32581	0.2
58.06565	0.3
59.14263	0.2
61.00282	0.2
67.05493	3.4
68.04978	0.9
68.88259	0.2
69.07052	1.7
69.49535	2.0
70.06577	1.9
79.05486	2.5
80.05006	1.6
80.11768	0.2
81.07037	1.9
82.06563	1.3
83.08607	0.4
84.08094	0.6
91.05470	1.2
93.05749	0.6
93.07038	1.4
94.06544	2.5
95.04949	0.3
95.07356	0.3
95.08574	1.4
96.08127	2.4
97.10106	0.7
98.06035	0.2
105.06987	0.8
106.06500	0.9
107.07323	2.6
107.08546	1.4
108.08102	3.5
109.06483	0.3
109.08876	0.6
109.10086	0.4
110.09628	0.9
117.86716	0.2
119.08524	0.5
120.08069	1.9
121.08875	0.4
121.10078	0.4
122.08981	0.2
122.09656	2.0
123.10381	0.5
124.07580	0.2
124.11229	2.1
131.08502	0.3
132.08047	0.4
133.10088	0.4
134.09605	0.7
135.11697	0.2
136.11165	0.3
145.10077	0.4
148.11194	0.3
152.10684	0.5
161.13205	0.3
170.11707	1.5
174.12766	0.4
176.14336	0.4
188.14325	0.3
190.15833	1.4
192.13725	0.4
192.17435	0.7
194.15358	0.8
200.14326	0.4
202.15855	0.7
206.15407	0.5
208.16920	1.0
212.16479	1.3
218.15369	6.6
220.16920	14.4
222.14990	0.2
222.18492	0.5
224.16460	0.3
226.18010	0.5
234.14926	0.5
236.16418	6.9
237.16931	0.3
238.17970	32.5
238.68141	0.3
239.18292	0.9
240.19508	1.7
246.17769	1.1
246.68013	0.6
254.17464	14.5
255.17783	0.5
256.19031	5.0
272.18561	1.6
327.60437	0.2
334.54352	0.3
473.33707	1.7
491.34717	100.0
492.34998	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	491.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01864	0.3
55.05503	2.7
56.05020	0.8
58.06570	0.6
65.03922	0.4
67.05493	4.9
68.05015	0.8
69.06777	0.2
69.07065	2.3
69.63840	1.4
70.06575	2.3
79.05477	3.8
80.05001	2.3
81.07035	3.3
82.06551	2.0
83.04958	0.3
83.08593	1.1
84.08143	1.3
85.06522	0.2
86.06041	0.4
91.05484	1.7
93.05763	0.8
93.07030	2.7
94.06022	0.4
94.06550	3.0
95.04960	0.4
95.07336	0.6
95.08595	2.1
96.08116	3.6
97.06548	0.4
97.10156	1.1
105.07014	1.3
106.06534	1.8
107.07314	4.2
107.08542	2.0
108.08100	6.6
109.08871	0.7
109.10097	0.4
110.09644	1.2
112.07544	0.5
117.06995	0.7
119.08561	1.1
120.08072	3.4
121.08866	0.8
121.10143	0.7
122.09641	2.9
123.10451	0.4
124.07573	0.5
124.11210	2.6
125.09602	0.5
131.08521	0.6
132.08061	0.8
133.08823	0.3
134.09639	1.7
135.11755	0.4
136.07597	0.3
136.11183	0.6
137.04056	0.3
138.09090	0.5
138.12686	0.3
143.08636	0.3
145.10094	0.7
146.09662	0.3
147.11674	0.3
148.11179	0.6
152.10672	0.4
152.14343	0.3
161.09673	0.3
162.12611	0.3
170.11732	1.8
174.12822	0.8
176.14366	0.5
180.17488	0.2
185.13283	0.3
190.15874	2.6
191.14200	0.3
192.13818	0.8
192.17482	1.1
198.14859	0.5
200.14297	0.6
202.15916	1.1
204.13757	0.4
206.15337	1.7
208.16916	2.1
210.14795	0.4
212.16464	0.5
218.15355	6.9
220.16924	22.5
221.17319	0.4
222.14949	0.5
222.18475	0.7
224.16455	1.1
226.18011	0.8
236.16396	10.0
237.17134	0.3
237.19554	0.3
238.17973	29.5
239.18221	0.5
240.19566	1.9
246.17764	3.8
246.67918	0.9
252.15918	0.3
254.17467	13.6
256.19012	5.8
272.18539	3.8
274.20068	0.6
473.33710	3.2
491.34720	100.0
492.34995	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	491.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
56.05007	0.6
58.06569	0.5
59.01213	0.3
67.05494	3.1
68.05012	1.0
68.05940	0.3
69.07054	2.2
69.89410	2.3
70.06569	1.6
79.05492	2.6
80.05013	1.6
81.07037	3.1
82.06552	1.4
83.08606	0.7
84.08107	1.0
86.06038	0.5
91.05466	1.5
93.05737	0.6
93.07037	2.1
94.06545	2.1
95.04939	0.4
95.08601	1.9
96.08114	3.2
97.06557	0.3
97.10133	1.3
98.21385	0.6
105.06996	1.1
106.06513	1.0
107.07328	3.1
107.08559	1.1
107.32140	0.3
108.08097	5.1
109.08884	0.7
109.10125	0.5
110.09642	1.1
117.07017	0.5
119.08581	0.6
120.08077	2.2
121.10120	0.4
122.09641	2.3
123.11676	0.5
124.11205	1.7
131.08505	0.6
132.08110	0.4
133.10101	0.5
134.09595	0.9
135.11652	0.4
138.09113	0.5
145.10051	0.4
148.11188	0.6
160.11179	0.6
170.11717	1.4
174.12807	0.7
182.53271	0.4
186.14851	0.6
190.15855	1.8
192.13852	0.6
192.17459	0.9
202.15884	1.1
204.29118	0.4
206.15433	1.2
208.16908	1.9
212.16632	0.6
218.15358	6.3
220.16925	19.3
221.17313	0.4
222.18510	1.0
222.89772	0.8
224.16502	0.7
226.17877	0.5
229.89815	0.4
234.15190	0.4
236.16446	8.7
237.19554	0.5
238.17981	27.0
240.19580	1.9
240.90839	2.4
252.16032	0.6
254.17485	10.4
256.19037	5.9
264.90921	0.8
272.18521	3.6
274.20132	0.6
281.91223	0.8
282.91873	0.8
288.91122	0.4
306.91904	2.9
324.92871	1.0
346.89932	0.3
347.92044	0.8
358.84402	0.5
365.93350	2.6
388.95236	0.7
473.33755	6.1
491.34732	100.0
492.35095	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05499	5.4
57.07049	2.4
58.99572	1.4
67.05493	10.6
69.06676	0.8
69.07056	15.4
70.06579	3.4
70.76502	0.6
71.70727	1.1
73.24691	0.7
79.05479	6.0
81.06588	1.4
81.07046	23.0
83.04958	2.4
83.08599	2.5
85.01115	1.5
86.99032	0.7
88.02200	6.5
91.05460	6.2
92.92614	0.7
93.07034	10.5
95.04894	0.7
95.08591	31.2
97.10166	0.8
98.98434	2.3
101.04202	0.6
105.07016	10.1
107.08581	15.4
109.06504	0.7
109.10146	13.8
111.08057	1.1
111.11676	0.9
117.06977	2.1
119.08565	12.3
121.10124	16.7
123.08057	1.0
123.11691	4.1
125.09612	1.0
126.02431	0.6
127.05784	0.8
129.06996	1.7
131.08542	4.6
133.10121	7.8
133.52382	0.8
134.02678	3.7
135.08095	1.3
135.11676	7.0
137.13219	8.5
142.32826	0.7
143.08513	2.6
145.10101	7.8
147.11673	9.0
149.09560	1.3
149.13258	4.6
151.14836	0.8
155.01054	1.8
157.10112	3.4
159.11681	6.9
161.09573	2.3
161.13229	5.4
163.11137	1.4
163.14821	5.5
163.61658	0.6
169.10164	1.2
171.11650	2.8
173.13252	3.4
174.05817	8.6
175.11134	1.5
175.14818	3.5
177.12714	0.9
177.16344	1.4
183.11810	1.5
185.13208	3.2
187.14778	2.8
189.12701	1.2
189.16391	2.0
191.14203	1.2
193.15863	2.5
195.11990	2.1
196.01694	0.7
197.13451	0.7
199.14801	2.7
201.16400	2.1
203.14384	3.4
203.15953	0.6
203.17941	0.7
213.16400	4.2
215.17929	1.5
217.15868	2.6
227.17886	1.2
231.17395	2.3
243.17290	0.7
243.20860	0.7
253.19478	0.7
255.21053	1.8
281.22604	1.2
284.17004	0.8
323.27240	1.3
334.24561	1.4
341.24286	1.0
341.28354	11.3
367.30045	4.7
399.27084	1.7
471.28955	1.8
488.31812	100.0
489.32272	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	485.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.74886	2.7
79.05573	1.3
80.32847	1.3
82.22520	1.6
83.94068	1.4
88.47580	1.6
151.20326	1.4
174.67311	1.6
200.84576	1.6
217.32600	1.7
234.99947	5.0
235.99872	1.5
253.01065	1.8
258.99982	18.7
260.00076	1.6
261.03027	5.4
264.98889	2.2
274.97629	1.5
276.98010	1.4
277.01025	25.7
278.01257	2.4
279.01019	2.1
282.99960	57.1
284.00140	5.7
284.99823	3.0
301.01016	98.2
302.01083	12.3
303.00897	6.2
314.25125	1.7
316.99136	2.0
318.98810	2.8
319.02087	6.9
324.02737	2.7
359.00143	2.3
360.99835	4.4
401.01367	3.1
403.00974	2.3
407.00342	4.8
419.97629	1.9
425.01093	24.7
426.00903	2.3
436.36688	1.7
443.02277	100.0
444.02325	10.4
445.02051	4.1
466.03601	4.3
467.02176	4.9
484.99951	14.7
495.34656	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	487.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05503	2.1
56.05030	2.9
60.04515	1.7
60.05642	0.4
63.47997	0.5
67.05494	1.1
68.05017	0.8
68.40115	0.4
69.03414	0.7
69.07054	7.5
70.02940	1.0
70.06580	37.5
71.04980	0.6
71.06925	2.0
71.34055	0.9
72.08144	12.4
73.02934	0.4
73.04015	0.7
73.08469	0.5
74.06067	1.1
76.02203	0.7
79.05475	1.0
81.03392	0.6
81.07039	1.6
82.06578	0.9
83.04951	0.6
83.06082	1.9
83.08632	0.7
84.04486	7.6
84.08132	14.3
85.02886	2.0
85.04015	1.7
85.08466	0.8
86.09692	100.0
87.05580	7.7
87.10031	1.3
88.03976	2.9
89.07147	0.9
91.05452	1.7
93.07008	1.0
94.06554	1.7
95.04937	0.7
95.06058	0.8
95.08597	1.4
96.08113	4.8
96.99232	0.5
97.02859	0.8
98.02396	3.6
98.06055	0.7
99.05556	0.9
101.07121	3.3
102.05513	1.9
103.05439	0.6
104.05277	0.5
105.01861	0.4
105.07051	0.8
107.04932	0.5
107.07300	1.0
107.08559	0.8
108.08095	1.9
109.02863	0.7
109.08898	0.6
109.10134	0.5
110.02388	0.5
110.06049	0.5
110.07148	6.0
110.09643	2.7
112.07589	0.6
112.08727	1.2
112.11223	0.7
113.07092	1.0
113.10748	1.6
115.05061	1.9
115.08682	3.1
116.07095	1.6
118.06862	0.7
119.04903	0.5
119.08586	1.0
120.08094	7.9
121.06460	0.5
121.08946	0.5
122.09657	2.3
123.08025	1.1
124.07575	0.9
125.07073	0.6
126.05474	0.5
127.03903	1.1
127.08687	1.4
129.06601	1.0
129.10222	9.8
130.04980	2.2
130.06500	1.2
130.08611	0.5
131.04935	1.4
131.08536	0.5
132.05254	0.5
132.08093	0.9
133.06175	0.4
134.09622	0.5
135.11687	0.5
136.07582	3.7
137.05936	0.5
138.06590	0.9
138.09128	3.4
139.08653	0.5
141.06511	0.6
141.10211	14.3
143.08151	1.7
143.11777	2.3
144.06560	1.0
145.02853	0.6
145.04945	0.7
147.04385	0.6
147.07643	1.5
147.11421	0.4
148.06007	0.6
149.05869	0.4
155.08170	1.5
155.11771	16.5
156.07741	0.5
157.13335	11.7
159.09160	0.8
159.11380	0.6
161.09430	0.5
162.07774	0.4
163.03897	0.8
163.07550	0.9
166.08607	1.1
167.11807	1.8
169.09752	1.1
169.13368	0.6
171.11264	1.8
173.09224	0.9
173.12836	1.0
175.07338	0.6
175.11853	1.6
176.10568	0.4
177.05531	0.7
181.06221	0.5
182.08183	0.4
183.11256	12.0
185.09244	0.6
185.12830	10.1
185.16420	0.9
186.12570	0.5
187.10782	1.1
189.12366	1.7
193.04927	0.9
194.12860	2.2
195.04750	1.1
195.10002	0.7
197.12846	0.7
200.13914	51.6
201.12431	0.9
201.14235	0.5
204.17624	0.4
205.09708	0.4
211.10745	5.7
211.14259	0.7
212.10143	0.6
213.08611	0.9
215.13986	0.5
218.15472	0.5
220.16956	2.5
221.11812	0.7
223.10625	0.5
223.15378	0.5
228.13405	39.0
229.15697	0.7
231.04631	0.4
232.16893	1.0
234.14592	0.5
234.18507	1.4
236.16461	1.5
237.12311	0.6
238.17992	4.3
239.12746	0.8
240.13376	5.9
242.15047	0.9
244.09271	0.6
250.17914	2.7
252.15935	0.4
252.16949	0.5
252.19530	5.0
260.13510	0.8
260.16010	6.5
264.13434	0.5
265.08673	0.6
265.11786	0.6
270.14505	0.9
271.17572	3.3
281.16083	1.4
282.14441	2.3
299.17096	40.4
308.13077	0.5
313.22345	0.5
317.18704	0.6
325.14005	1.1
326.14474	0.6
341.21930	1.0
383.22672	1.0
384.25934	0.9
387.27234	0.7
395.22681	0.6
406.73331	1.0
407.23123	0.5
412.25507	6.6
430.76703	0.5
470.26151	0.7
486.74841	0.6
487.27725	2.8
487.35263	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	484.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.07064	11.4
58.06578	1.1
67.05494	1.6
69.07050	2.5
69.38725	2.2
70.06579	10.1
71.08617	6.6
71.09009	0.4
73.02901	1.2
75.24715	0.2
81.07045	1.6
83.08610	1.7
85.10168	2.7
87.04470	0.2
88.07613	15.9
89.06007	0.3
95.08590	2.5
95.68546	0.2
97.06513	0.3
97.10149	1.0
98.20731	0.5
101.06609	0.3
102.08472	0.5
102.09158	10.4
106.08624	0.5
107.08607	0.3
109.10132	1.1
114.99651	0.2
156.17538	0.3
177.33965	0.3
200.20052	20.4
204.73730	0.2
218.21141	1.9
228.23180	19.3
229.23500	0.3
246.24234	1.7
255.23198	1.7
256.26297	1.7
283.26254	20.3
284.26654	0.6
311.29379	19.0
312.29724	0.7
427.83041	0.3
484.47159	100.0
485.47485	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	484.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
57.07071	56.4
59.04998	19.5
69.07054	5.5
71.08624	100.0
71.71304	6.1
81.07047	5.0
83.08607	3.7
85.10172	47.5
89.05482	5.0
89.06020	85.1
91.05486	3.3
95.08638	3.1
97.10130	3.2
103.07603	6.4
103.31711	3.1
127.14767	7.7
130.08574	3.6
133.08597	57.7
177.11192	32.4
185.18964	11.2
221.13765	4.5
229.21646	5.7
239.14890	6.6
240.44728	3.5
246.65959	3.3
264.74219	3.6
283.17447	34.9
312.26184	8.5
313.27359	4.6
316.18948	3.7
317.17834	5.2
327.20117	10.2
341.21719	5.1
467.14847	3.9
467.35873	15.9
471.18204	4.3
485.19785	6.0
502.17886	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	484.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.7
57.07059	10.8
60.04513	6.8
62.06077	100.0
65.32140	2.3
67.05494	32.4
69.07055	20.0
70.02911	2.4
71.07218	5.3
71.07571	2.7
71.08612	5.1
79.05475	14.5
81.07038	45.1
83.08598	9.5
85.10137	3.5
86.97660	2.2
87.04477	2.7
87.98428	2.5
89.06010	8.1
91.05473	14.4
93.07030	33.6
94.06581	2.5
95.04942	3.8
95.08590	38.8
97.10156	4.8
103.03885	2.3
105.07010	36.4
107.08588	36.3
109.10139	77.3
111.08067	2.3
119.08559	31.6
121.10128	34.9
123.11698	10.8
127.22321	2.3
130.08682	3.1
131.08505	2.9
133.08543	4.7
133.10103	26.0
135.11681	21.6
137.13205	3.7
138.09224	3.3
143.08534	3.9
145.10130	7.0
147.11659	26.1
149.09653	3.3
149.13231	16.1
156.10243	3.7
157.10254	2.8
158.11781	3.0
159.11699	12.1
161.13188	16.9
163.11198	8.3
163.14819	6.7
172.13307	11.5
173.13242	8.0
175.11159	3.5
175.14804	8.8
177.11267	3.7
177.12714	6.1
177.16356	4.1
187.14799	2.9
189.16460	6.4
191.17874	7.0
201.16383	3.3
203.17949	15.0
210.14900	3.7
213.16219	2.9
215.17950	7.9
217.19525	16.6
219.17517	3.2
224.16385	4.6
229.38367	2.4
231.17468	2.7
231.21120	4.8
233.18851	2.4
238.18076	6.7
240.19775	2.4
252.19669	5.6
254.21132	10.8
266.21191	10.9
268.22607	11.1
271.24063	2.5
280.22699	9.8
282.24292	5.4
285.17938	4.1
292.22626	5.4
294.24249	6.3
295.24072	2.7
306.24155	4.6
345.86197	2.9
376.32312	3.4
402.33621	5.4
405.34955	2.7
423.36206	4.3
428.35318	17.5
466.39807	4.3
484.41357	98.5
485.20416	10.9
485.35818	3.2
485.41891	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	484.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47741	0.2
55.05508	1.2
57.07067	13.0
58.06604	1.1
60.04509	0.3
62.06046	0.2
67.05499	1.8
69.07054	2.2
69.42018	1.7
69.42435	0.7
70.06581	11.8
71.08620	6.4
72.08128	0.4
73.02899	1.1
74.79084	0.2
75.93481	0.3
81.07044	2.5
83.08601	1.9
85.10170	3.7
87.04464	0.3
88.07616	16.5
89.05997	0.5
93.07039	0.3
95.08586	3.0
97.10130	1.1
98.21445	0.6
102.09166	11.8
106.08632	0.7
107.08533	0.5
109.10130	1.4
127.14248	0.3
133.08609	0.2
133.10147	0.3
184.20538	0.5
215.41827	0.2
228.23198	39.7
229.23500	0.4
246.24214	3.4
255.23141	8.4
256.26306	6.6
274.27267	0.6
283.26270	42.7
284.26602	0.8
484.47189	100.0
485.47549	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	484.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05261	0.7
55.05505	6.5
56.05035	2.9
57.07052	0.7
58.06586	3.1
59.05002	0.6
61.02903	1.0
65.03921	0.6
67.05494	7.9
68.05004	1.5
68.05823	0.8
69.03410	2.3
69.06773	0.6
69.07063	6.5
70.02936	0.8
70.06583	38.6
71.04975	1.8
71.06905	1.8
71.75665	0.9
71.86068	0.5
72.08147	3.7
73.02898	0.9
74.06049	0.7
76.02229	0.6
77.12369	0.6
79.05481	6.5
80.04988	1.9
81.03398	1.1
81.07047	10.6
82.06560	4.1
82.07341	0.9
83.04963	1.2
83.06079	0.8
83.08605	1.6
84.04496	3.6
84.08127	5.8
85.02885	4.1
85.06535	1.1
86.06048	0.8
86.09209	0.8
86.09695	12.4
87.05536	1.3
87.10037	0.6
88.03953	0.9
91.05453	4.8
93.07021	5.4
94.06557	3.6
95.04951	2.2
95.08592	7.4
96.08112	5.9
97.02868	2.4
97.06511	0.8
97.10153	1.2
98.06036	1.0
98.09661	1.4
99.04449	0.8
102.05523	0.8
103.05433	0.9
104.05319	1.0
105.07036	4.2
106.06564	1.0
107.07320	2.3
107.08556	4.5
108.08124	8.0
108.08855	1.1
109.02863	1.0
109.06530	3.4
109.10111	3.1
110.06004	0.6
110.07129	2.4
110.09645	2.5
112.07543	0.8
115.08684	0.7
116.07101	0.9
117.07012	1.1
118.06487	0.7
119.04908	0.9
119.08582	3.6
120.08085	10.6
120.08913	0.9
121.06471	1.5
121.10124	1.3
122.07301	1.0
122.09645	2.6
123.04424	1.3
123.08035	2.1
123.11678	2.8
124.11209	1.9
127.03931	1.1
129.10208	2.5
130.04965	0.9
130.06564	1.0
131.08492	1.4
133.10106	1.5
134.09642	0.7
135.04430	0.8
135.08041	1.1
135.11656	1.7
136.07539	1.9
137.05991	2.2
137.09598	21.1
138.09944	1.9
139.03926	0.7
141.12685	1.6
145.04878	0.6
145.06439	0.9
145.10117	2.1
147.04390	1.1
147.11653	1.7
161.13181	1.2
163.03807	0.7
163.11151	0.6
170.11696	1.3
171.11465	0.6
177.05484	0.7
179.06972	0.9
183.14998	0.8
190.15895	1.0
192.13823	0.8
192.17467	0.9
201.12379	2.6
201.14876	1.3
202.15910	1.7
207.13850	2.9
208.16965	0.9
216.95798	0.6
218.15358	3.6
219.15739	1.6
220.16943	16.4
221.17349	3.4
222.18512	16.2
222.20573	1.1
223.18921	3.3
230.18286	3.4
230.68420	1.7
236.16365	2.9
237.16759	1.0
238.17989	35.9
238.68164	4.5
239.18753	100.0
239.68933	44.4
240.19539	68.4
240.22108	1.5
241.19897	15.8
242.20026	0.8
243.17030	1.2
245.18871	1.1
246.17824	1.6
246.67926	1.9
247.18512	22.2
247.68681	25.7
248.19124	9.2
254.17516	2.4
255.17863	1.0
256.19113	3.7
256.21393	0.6
257.19272	0.7
303.04770	1.9
304.05258	2.0
327.23978	1.0
364.27539	0.8
368.09647	1.0
403.20865	1.2
475.34985	1.0
476.35553	0.9
477.36847	15.3
478.36972	3.7
483.74503	1.1
483.87033	8.0
484.09399	2.7
484.26096	5.6
484.36923	2.1
484.50717	6.6
484.76138	4.5
485.01004	2.0
493.35886	0.8
494.36221	0.8
495.37186	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	483.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95264	0.7
55.05506	20.2
57.03439	7.6
57.06815	0.8
57.07070	9.4
59.90007	0.6
61.97001	0.7
67.05495	3.2
69.07064	21.1
70.06644	1.8
70.07056	1.9
71.08624	6.0
72.64359	0.7
79.05479	1.6
81.07059	3.4
83.08611	17.1
85.10165	2.1
93.07043	2.4
95.08586	3.8
97.06515	1.5
97.10158	11.9
98.98458	8.0
107.08575	2.0
109.10084	0.7
111.07984	0.6
111.11709	3.7
121.10115	2.9
135.11664	2.4
155.01031	3.9
237.22067	1.4
311.25775	100.0
312.26001	2.7
367.67059	0.7
447.24902	2.9
453.11166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53179	0.4
54.53428	0.3
55.01833	0.5
55.05482	1.2
56.05003	0.6
60.04494	0.8
65.03914	0.4
67.05492	2.0
68.04998	0.6
69.03395	1.1
69.07040	0.9
70.06580	17.7
70.75484	0.6
71.01318	0.3
71.04964	0.4
71.06893	0.9
72.08144	2.1
73.02883	0.3
74.06042	0.4
77.97979	0.3
79.05465	0.9
80.04977	0.3
80.19123	0.2
81.07056	1.7
82.06555	0.5
84.04502	1.3
84.08121	1.6
85.02863	1.0
85.06486	0.4
86.06061	0.3
86.09689	6.9
87.00797	0.5
87.05570	1.1
87.10022	0.6
89.45531	0.3
91.05446	1.1
93.07018	0.9
94.06550	0.6
95.04921	0.5
95.08565	1.2
95.11724	0.3
96.08110	0.9
97.02853	0.9
97.10113	0.3
98.06026	0.4
99.04415	0.3
101.07079	0.4
102.05500	0.3
105.06983	1.0
107.07290	0.4
107.08554	0.9
108.08088	1.0
109.05099	0.5
109.10124	0.6
110.07127	1.0
112.08704	0.5
113.07095	0.4
115.03894	0.5
115.08662	0.5
117.06914	0.3
119.08540	0.6
120.08096	2.9
121.08437	0.5
121.10073	0.4
122.09669	0.4
123.04391	0.6
127.03882	0.6
128.10654	0.3
129.10190	0.9
132.59673	0.3
133.06409	0.3
133.10074	0.6
134.04596	9.9
135.02959	0.4
136.07526	0.6
137.05946	0.4
138.09116	0.4
140.02713	0.3
140.08223	0.4
141.10226	0.6
142.50652	0.3
144.08005	0.3
145.02783	0.4
145.10101	0.4
147.04358	0.9
150.00066	0.3
151.00565	0.3
152.05656	1.9
155.08080	0.4
158.07066	0.3
159.09210	0.3
165.02298	4.7
167.02588	0.8
169.09683	0.5
173.12836	3.7
174.13159	0.8
175.09805	0.5
175.11168	0.5
177.05486	0.4
180.11342	0.3
181.05440	0.6
182.04924	96.0
183.05194	0.7
183.14867	1.4
184.00604	0.6
184.07385	0.3
185.08200	0.5
190.02998	0.3
194.04964	2.3
195.11052	0.3
197.12801	0.5
200.09267	0.9
201.12303	2.0
202.12662	0.4
205.05417	2.3
208.10860	0.3
211.14433	0.8
216.04575	1.1
219.07005	0.6
220.16942	1.9
221.08626	0.3
221.17339	0.5
222.18507	0.9
223.18730	0.3
231.06958	6.3
236.16544	0.6
238.17978	6.1
238.68134	0.9
239.18626	3.3
239.68881	2.7
240.19524	4.8
241.19875	1.1
246.17700	0.6
247.18550	0.4
248.03764	0.8
248.09613	13.9
256.19046	0.6
266.10657	100.0
267.10815	1.5
272.16766	0.3
286.09024	0.8
303.07471	0.3
304.09998	0.8
322.10950	2.4
324.18518	0.4
339.31769	0.3
347.73318	1.0
348.23532	2.2
348.73740	0.4
385.25589	0.7
391.75018	0.6
400.09003	2.3
440.15991	0.8
466.13806	0.4
475.22452	0.4
475.34985	0.7
477.36768	0.6
483.36325	1.1
483.73764	0.5
483.86380	1.5
484.14899	11.2
484.25400	1.5
484.50934	1.0
484.76010	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05014	1.2
60.04222	0.4
60.04515	8.3
61.01132	0.5
67.26669	0.3
69.03419	0.8
69.07053	0.5
69.97265	1.9
70.02943	0.5
70.06582	5.5
72.08142	2.1
74.06060	3.8
78.55304	0.3
81.03336	0.3
83.06087	0.4
84.04482	2.4
84.08125	4.0
85.02883	0.6
86.09691	36.2
87.05582	0.4
88.09196	0.3
88.38819	0.4
91.05466	11.3
98.06051	0.7
98.21507	0.4
101.07142	0.7
102.05516	3.0
104.05310	0.5
107.04975	1.0
110.07150	4.4
112.08733	0.5
116.07055	0.5
118.06477	0.4
119.04919	9.4
120.06554	9.4
120.08061	1.3
121.06471	0.4
127.08628	0.4
129.10216	1.8
130.04985	3.5
136.07552	100.0
137.07942	0.8
143.08139	0.5
147.04326	1.9
153.01810	0.7
155.11739	0.6
156.07616	0.7
159.07639	0.4
160.06076	0.8
161.05936	0.6
164.07007	0.4
171.07610	6.9
173.11537	0.3
173.12825	1.3
178.13405	0.6
187.14360	0.9
189.08667	13.7
199.07159	0.5
201.12318	1.9
203.10425	0.3
204.13707	1.9
207.09723	20.2
223.15463	0.4
235.05975	0.9
249.15936	35.7
250.16306	0.7
251.15001	0.4
269.11002	0.3
277.15427	20.6
284.15979	0.8
302.17160	1.8
312.19608	0.4
320.18057	1.0
346.17886	0.5
364.18570	5.5
380.14374	0.9
429.21445	1.0
437.41714	0.3
447.22336	3.0
465.23300	3.5
483.18329	2.0
483.24353	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2268
Annotation	Paraensidimerin A
Peak:m/z	Relative Intensity
55.01882	0.3
55.05233	0.5
55.05502	9.0
56.05030	2.9
57.05808	1.1
60.04513	0.5
61.01146	1.0
67.05493	1.0
69.03417	0.8
69.07039	0.9
70.02940	0.5
70.06201	0.6
70.06582	11.0
71.04983	1.2
71.06947	0.5
72.08145	90.3
73.02894	0.4
73.08472	0.5
74.06062	0.9
79.05488	1.1
81.07047	1.0
83.06084	0.6
84.04490	2.7
84.07674	0.6
84.08140	4.1
85.02892	1.3
85.06531	1.3
86.09691	4.4
88.03931	0.6
91.05464	9.1
93.07030	0.9
93.57757	0.3
95.04970	0.4
95.08599	0.9
97.02869	0.5
97.06505	0.4
101.07173	0.4
102.05510	0.9
104.05310	4.7
105.06966	0.4
107.04943	0.8
107.08576	0.8
109.06525	0.5
109.10181	0.3
110.06026	0.5
110.07124	3.2
112.08656	0.4
116.07107	0.5
118.06472	0.5
119.04925	7.1
120.08093	3.2
121.10136	1.2
122.05931	0.4
123.04415	0.6
127.03825	0.5
127.08690	0.7
129.10220	2.0
133.03175	3.2
134.05988	0.5
135.11662	0.4
136.07558	100.0
137.07948	0.5
138.09212	0.4
143.11774	7.4
146.04793	0.4
147.04356	0.4
150.05812	15.7
153.01762	0.6
155.08090	0.6
155.11775	1.0
156.07683	0.4
162.09119	4.2
164.07047	1.2
171.11334	2.9
175.14789	0.4
183.15042	0.5
198.55225	0.3
199.16812	0.7
201.12352	0.5
203.12091	0.5
207.11256	31.6
213.16240	0.5
231.11537	0.5
235.10745	50.8
236.11111	0.6
241.96567	0.4
249.12643	40.5
267.19443	2.8
285.20465	1.5
289.15414	5.2
303.21463	0.6
319.04303	1.2
320.04840	0.8
320.16278	1.5
321.04959	1.5
334.13559	0.8
334.17545	14.9
367.20111	0.4
385.21097	1.0
456.72031	0.4
483.17810	2.8
483.28836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86132	0.7
53.03928	1.7
55.01863	1.7
55.05497	6.6
56.05016	1.4
57.03389	0.6
57.07053	1.2
58.06595	1.0
58.94430	0.6
59.04999	0.6
67.05497	7.0
68.05022	1.1
69.03410	2.9
69.07063	8.2
69.73900	4.8
70.06583	15.8
71.04973	1.1
72.08136	2.9
72.47367	0.6
73.05695	0.7
76.02200	1.1
79.05486	14.8
80.04988	1.0
81.03388	1.2
81.06584	1.0
81.07043	11.5
82.06557	3.1
83.04964	2.4
83.08599	1.5
84.04493	2.0
84.08134	3.5
85.02885	3.1
86.09698	6.6
87.00828	1.4
91.05469	9.7
93.07030	17.1
93.50609	0.7
94.06561	3.3
95.04942	2.0
95.08604	5.4
96.08105	7.4
97.02882	1.2
97.06535	0.9
97.10149	1.0
99.04411	1.3
99.08083	1.0
105.01800	0.7
105.04476	0.7
105.07016	25.6
107.04943	9.8
107.07317	2.6
107.08578	9.7
108.08122	7.8
109.02889	1.1
109.06518	1.6
109.10138	5.7
110.09651	2.6
111.08067	1.0
116.06910	0.6
117.06981	1.7
119.04946	1.2
119.08567	5.2
120.08089	6.7
121.06499	1.7
121.10121	3.7
122.07294	0.7
122.09672	5.3
123.04374	1.1
123.08044	1.9
123.11621	0.9
124.11210	0.9
125.09621	2.8
127.03913	1.2
129.10242	1.9
131.08522	3.0
133.10114	83.3
134.09583	1.3
134.10474	1.4
135.04353	0.8
135.11685	2.4
136.07495	1.0
136.11142	0.8
137.05984	2.0
137.09604	8.8
143.08563	2.0
145.10114	3.0
146.87704	0.7
147.07982	0.8
147.11667	3.2
149.09637	1.9
149.13188	0.8
157.10101	1.6
159.08067	0.9
159.11707	3.3
161.09581	7.3
161.13179	0.8
163.11252	0.8
169.09981	1.0
171.11594	1.3
173.13054	1.5
175.11229	0.9
175.14818	2.7
189.12766	0.7
190.15762	0.9
198.06732	0.7
199.14780	2.5
202.15948	1.1
217.12411	1.0
217.15837	22.3
218.15320	1.1
220.16917	18.4
221.17346	3.8
222.18509	5.1
223.18817	1.1
229.17497	2.2
232.16953	1.7
234.18494	1.1
235.16917	11.7
236.16559	1.6
238.17986	100.0
238.68159	12.2
239.18355	8.7
239.68996	0.8
240.19585	10.9
241.19896	3.1
244.17990	10.2
244.68155	11.4
245.18730	3.6
245.68852	2.2
250.18082	4.3
251.18259	1.6
252.19539	3.3
253.08556	1.8
253.20015	1.4
254.83614	0.8
256.19080	2.2
268.18973	1.0
272.10284	0.9
281.08331	0.8
371.22876	1.2
376.71341	1.1
385.22394	3.9
385.72372	1.8
397.85690	0.8
402.24115	0.9
407.29132	0.8
452.23416	6.2
452.73663	2.0
456.78537	0.8
475.35333	5.9
476.35709	5.2
477.36658	9.2
478.37167	7.0
479.37213	1.2
482.86069	9.3
483.14523	1.3
483.23245	1.2
483.36649	6.0
483.73495	1.2
483.86356	1.4
487.35239	7.9
488.35483	6.2
489.36758	6.1
490.37119	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	483.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05002	1.1
58.99844	0.8
69.03414	0.9
69.71299	5.5
70.06583	9.3
71.97162	0.8
72.08134	1.3
76.02187	0.7
81.03413	0.8
82.99816	1.5
84.04472	1.9
84.08096	3.4
85.02862	1.0
86.09668	2.4
89.03886	1.7
94.99803	0.8
97.02845	2.6
101.00858	6.6
104.07780	0.8
107.04887	0.7
109.02844	1.1
110.07150	3.5
112.08760	0.8
112.50463	0.7
113.00849	2.4
117.03336	2.4
119.01904	24.0
119.51826	0.9
120.08052	0.8
123.05487	0.9
127.02365	1.5
127.03835	0.8
129.10190	1.4
130.04865	0.8
131.01878	14.2
133.03419	2.3
135.04362	1.9
136.06184	1.2
136.07532	4.2
137.02927	3.2
141.00328	0.8
143.01871	16.7
145.03549	10.1
147.04379	2.6
149.02917	2.2
155.01848	17.6
155.08124	0.8
157.03438	8.0
161.02936	25.8
163.03830	11.8
164.04134	1.7
167.01843	6.6
169.03438	2.6
171.04977	3.4
173.02936	41.1
174.03052	1.1
175.04489	2.0
177.02399	3.5
177.05505	1.2
179.01851	3.3
183.01402	1.3
183.05002	1.9
184.04565	1.4
185.02931	46.6
186.03108	0.7
187.04530	6.3
191.03917	2.4
195.03426	2.3
196.04546	0.8
197.02928	14.9
199.04536	1.3
201.02409	36.8
201.06013	1.4
201.16765	0.8
203.03981	16.2
209.02881	3.3
213.02431	9.7
215.03998	10.2
219.03468	100.0
220.03690	2.5
221.02878	2.3
221.05038	4.1
224.04073	1.0
225.02411	1.2
227.03979	11.8
231.03471	9.8
233.05005	0.9
234.05254	0.8
237.02455	1.0
237.04431	4.3
239.04004	2.3
242.05046	2.7
243.03421	3.5
245.05040	91.7
246.05312	1.2
247.04332	1.0
249.04584	7.2
249.15927	1.4
255.03395	4.4
257.05099	5.0
259.04565	1.2
261.04504	16.1
263.06113	12.0
265.05563	1.5
273.04626	1.7
275.06049	11.7
279.05475	7.5
281.05011	0.9
285.04547	2.4
291.05621	2.0
293.07092	3.3
303.05573	27.3
305.07159	10.4
318.22437	0.8
321.06619	47.3
322.06830	1.3
335.08160	4.0
339.07605	3.5
363.07773	1.3
365.09354	11.6
367.08347	1.6
383.08493	1.1
483.11932	40.0
483.23984	4.2
484.12509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29000	0.7
69.44962	5.0
69.45359	1.7
70.06579	3.5
70.99828	0.7
72.08115	0.9
82.99841	1.3
84.04450	0.8
85.02879	1.2
86.09704	1.1
91.24630	0.7
94.99836	0.9
97.02857	1.1
101.00845	8.1
105.00331	0.8
109.02853	1.0
113.00851	2.2
115.02422	1.1
119.01039	1.3
119.01893	21.8
127.02400	1.7
129.04010	0.8
131.01874	10.7
133.03453	1.6
136.07573	1.8
137.02905	3.5
139.02357	1.2
139.91406	0.9
142.03470	0.9
143.01868	15.9
144.82561	0.7
145.03450	12.5
147.01382	1.5
149.02943	2.1
155.01854	17.4
157.03468	6.8
159.01341	0.8
161.02934	25.8
163.04480	1.6
167.01851	7.4
169.03386	3.6
171.04945	1.8
173.02930	39.9
174.03117	0.8
175.04463	3.3
177.02437	4.8
179.01875	2.7
181.03595	0.9
183.01248	0.8
183.05002	1.0
184.04446	1.3
185.02927	43.5
186.03059	1.6
187.04465	4.5
191.03928	1.9
195.03525	1.1
196.04562	1.4
197.02907	15.9
199.04500	1.2
201.02396	40.9
202.02675	0.8
203.03987	14.0
209.02884	2.5
213.02411	9.6
215.03983	11.6
219.03464	100.0
220.03725	1.9
221.04987	2.6
221.27879	0.8
224.04094	1.1
225.02443	1.5
227.04001	8.8
231.03477	10.4
233.05049	1.4
237.02452	1.6
237.04565	3.3
242.05055	2.6
243.03407	2.6
245.05026	90.5
246.05229	4.0
249.04433	7.7
255.03355	5.8
257.05057	5.1
261.04523	14.7
263.06085	11.0
273.04538	2.3
275.06110	10.9
279.05502	7.1
285.04480	2.5
293.07098	4.7
300.22333	0.8
302.07193	0.9
303.05548	24.5
304.05890	0.8
305.07147	9.4
321.06616	44.0
322.06943	1.5
335.08231	4.3
339.07809	3.9
363.07391	0.8
365.09302	11.5
483.11768	37.2
483.18451	13.0
484.12091	1.0
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
55.05491	0.9
56.05058	0.8
57.07068	3.3
58.06604	1.4
60.08155	15.1
61.80907	0.8
67.05491	1.5
69.07088	1.8
69.40628	8.9
70.06587	1.4
70.18484	0.6
71.07373	5.5
71.08621	1.8
76.59035	0.8
81.07052	2.4
86.09694	47.1
86.51885	0.7
89.10322	0.7
91.80369	0.6
95.08593	2.2
98.20772	1.6
98.98465	2.8
104.10728	100.0
109.10159	1.2
124.99991	25.0
183.16035	0.7
184.07317	93.7
220.16893	1.8
238.17929	2.3
239.18365	1.3
240.19490	1.3
243.14398	0.7
244.18028	1.2
258.11041	1.2
264.27423	0.8
299.25723	2.4
397.24078	0.9
425.27020	0.7
426.55960	0.8
464.31311	9.7
473.35284	1.0
475.35251	1.1
481.84955	2.8
482.32129	38.7
482.86105	1.6
487.34897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3238
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05494	3.8
57.03418	3.8
57.07069	57.5
59.04984	2.5
62.06081	23.8
67.05505	4.7
69.07059	7.1
70.78558	1.3
70.78899	1.6
71.08623	49.9
73.06525	2.4
79.05491	1.1
81.07043	7.4
83.08617	6.0
85.10172	29.8
87.04460	2.3
89.06020	46.1
95.08593	7.6
97.10159	4.5
98.98462	6.5
99.11710	3.8
103.03908	5.5
103.07541	1.5
107.07048	1.7
109.10146	2.3
111.11684	2.5
113.13240	3.7
117.09111	1.3
121.10046	0.9
123.11671	1.1
124.01623	1.4
125.13258	1.3
127.14768	1.1
130.08612	1.6
133.08585	29.0
135.36307	0.8
155.01050	8.0
155.17949	2.0
169.65363	0.8
177.11217	11.8
195.12225	2.3
198.05154	1.5
207.12302	1.1
213.22176	1.5
216.06297	3.3
221.13803	1.4
226.03528	1.0
235.11761	3.3
238.17941	1.3
239.14796	1.8
239.18578	2.7
239.68929	1.7
240.19490	2.0
244.18178	1.1
253.12836	2.4
271.26178	2.3
283.17487	20.7
310.30978	11.2
315.28812	1.4
321.16827	0.9
341.30466	100.0
342.30939	1.7
414.15164	0.9
421.27029	7.7
421.35141	1.0
450.76151	0.9
464.31317	4.6
465.37827	25.4
481.85309	1.2
482.32062	2.4
482.40283	2.3
482.86407	1.4
487.35092	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	481.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
55.28756	0.3
56.05031	11.2
57.01876	0.4
58.06599	0.6
60.04520	1.5
61.01142	4.5
67.05487	0.4
68.05035	0.7
69.07070	1.2
70.02938	0.6
70.06585	100.0
71.01208	0.7
71.04983	0.4
71.06920	1.0
72.07743	0.5
72.08146	8.5
72.16943	0.4
73.08481	0.6
74.06071	2.3
79.05482	0.4
80.04996	0.4
81.03402	0.6
81.07047	0.5
82.06590	0.4
83.06113	0.6
84.04488	6.3
84.04943	0.4
84.08134	9.0
84.08542	0.4
85.02907	1.4
85.04041	0.4
85.08504	0.4
86.09695	14.9
87.05592	0.6
87.10026	1.0
88.03989	1.1
91.05466	2.8
92.05860	0.5
93.04503	0.5
93.07039	0.7
95.06104	0.4
97.02911	1.0
98.06064	1.8
101.07154	1.2
102.05525	2.7
104.05318	28.0
105.07083	0.7
107.04959	0.7
108.08135	1.2
109.02805	0.5
109.06580	0.4
110.06034	0.4
110.07170	4.4
112.08730	0.7
115.08676	0.6
115.44939	0.4
116.07032	0.8
119.04907	1.8
120.08086	7.5
121.08428	1.0
123.04422	0.7
125.10845	0.4
126.05538	1.1
127.03970	0.6
127.08673	0.5
129.10217	5.5
130.05034	1.2
130.08655	0.4
131.61897	0.4
135.04422	0.6
136.07562	19.4
137.06015	0.5
137.07976	0.9
138.09164	0.4
141.06516	0.6
141.10213	22.0
143.11798	0.5
147.04395	0.8
147.07684	0.7
147.27856	0.4
148.04936	0.4
148.06070	1.1
151.03902	0.5
153.01839	0.6
153.10216	16.3
155.08328	0.6
156.07608	0.5
157.13399	1.2
163.03867	1.7
164.07115	1.9
165.05453	1.7
166.06068	0.4
169.09712	20.6
173.09514	0.4
181.09741	0.6
182.08119	3.6
187.10883	0.4
201.10542	7.6
201.12286	0.7
202.08702	0.6
215.14130	1.1
216.54053	0.4
217.08087	0.6
220.69122	0.4
221.02942	0.4
229.10028	5.3
229.11920	0.7
231.84094	0.4
233.16614	0.6
239.10349	0.5
241.13332	0.4
243.13431	0.5
247.11003	1.2
248.09314	0.4
249.12407	0.7
249.16080	1.0
253.11899	0.4
265.11917	1.3
272.14362	0.5
277.11844	0.7
282.12640	3.9
293.11337	0.6
295.10916	0.4
296.09613	0.5
297.10760	2.4
300.13647	6.5
313.12094	8.5
318.14877	1.1
319.04312	5.6
319.12936	0.7
403.14972	0.5
410.17386	12.6
410.22757	0.7
435.20642	0.7
437.19009	0.6
463.18561	0.6
480.76932	2.2
481.21289	20.0
482.12393	0.5
482.21112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0972
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.85533	0.4
53.03929	0.7
53.58706	0.5
55.01862	1.7
55.05506	4.0
56.04778	0.5
56.05028	5.7
57.03416	1.6
58.06588	1.1
60.04515	3.7
60.05635	0.9
61.01141	0.8
61.02903	2.0
65.03915	0.8
66.59056	0.5
67.05493	1.2
68.99762	1.3
69.03420	4.7
69.07076	2.6
70.02931	1.4
70.06583	59.8
71.04968	1.9
71.06919	2.9
71.11275	1.2
72.08145	32.0
73.02899	1.2
73.08459	0.7
74.06077	4.6
76.02226	0.5
79.05482	1.1
81.03400	2.8
81.07040	1.4
82.06565	0.8
82.55489	0.6
83.04971	0.9
83.06088	1.1
84.04491	9.9
84.08130	23.1
85.02892	13.6
85.03407	0.7
85.04004	0.6
85.06539	0.7
85.08454	1.2
86.06015	0.5
86.09693	34.7
87.04465	0.6
87.05566	2.1
87.10003	1.5
88.03983	3.0
90.05553	0.8
91.03953	0.7
91.05470	3.9
93.04538	0.5
93.07022	1.4
94.06596	0.8
95.04947	0.8
95.06079	0.9
95.08584	1.1
96.04418	0.5
96.08110	0.6
97.02880	4.2
97.06532	0.7
97.07590	0.5
98.02433	0.5
98.06028	0.8
99.04470	0.8
99.05534	0.7
100.02180	0.5
101.07126	2.5
102.05540	4.2
103.05437	1.2
104.05314	2.5
104.07094	0.5
105.07041	0.9
106.04990	0.5
107.04901	0.7
107.08546	0.9
109.02885	2.3
109.06512	0.9
109.10114	0.7
110.07152	10.0
110.09669	0.6
111.00777	1.2
111.04414	0.6
112.07603	0.6
112.08719	2.4
113.07132	1.1
114.05472	0.5
115.08649	1.9
116.07088	2.6
119.04955	2.4
119.08580	1.0
120.06653	1.1
120.08090	33.4
121.02789	0.6
121.06474	1.0
121.08451	1.2
121.10130	1.0
122.06053	0.6
122.09700	0.5
123.04448	0.6
123.08038	0.5
124.03913	0.4
124.07593	1.0
125.02337	0.9
125.07127	1.0
126.03136	0.6
126.05491	1.2
127.03896	3.8
127.08666	2.0
128.10641	0.7
129.06613	1.5
129.09326	1.0
129.10233	14.1
130.04999	2.5
130.06502	2.1
130.08620	0.9
130.10596	0.8
131.08575	1.0
132.10144	0.7
133.06114	0.7
133.10068	0.6
134.04515	0.5
135.04367	0.5
136.07562	19.4
137.02332	2.7
137.05945	1.3
138.09076	0.8
139.03944	0.8
141.06544	0.9
141.10213	1.5
143.11810	1.2
145.04962	2.1
145.06096	0.5
147.04372	1.5
147.07629	0.7
147.11397	0.5
148.06033	0.9
149.05952	0.9
150.05756	0.5
151.03888	1.4
152.14345	0.6
153.01813	8.9
153.10197	0.5
155.08145	1.6
156.07654	1.7
157.07582	1.6
157.09709	0.8
158.05975	0.9
158.09273	0.7
159.07751	1.4
159.09122	1.0
159.11397	0.9
161.09360	0.5
162.07593	0.8
163.03864	1.3
164.07063	1.1
165.01828	6.1
166.08664	0.8
169.01320	0.7
169.05962	0.5
169.09796	0.8
169.13370	0.9
171.07657	0.6
171.11310	0.9
173.09267	0.9
173.12866	3.0
175.07246	0.7
175.08649	1.5
175.11960	0.8
177.05486	2.8
177.10213	0.7
179.03357	3.4
181.09703	0.6
182.08084	1.1
183.02914	1.2
183.11235	0.8
183.14879	1.0
185.07054	0.6
185.09158	1.0
185.13184	0.5
186.12338	0.7
187.07237	0.8
187.10809	2.1
190.08540	0.9
195.02808	2.4
195.07632	0.7
195.11325	1.2
197.12955	0.6
199.03845	0.6
199.10681	0.5
201.08662	0.6
201.12352	3.9
202.08385	0.6
203.03365	0.6
205.11876	1.0
207.02899	2.0
207.11185	0.8
213.08675	1.2
213.12262	0.7
214.08704	0.7
215.14056	1.0
217.04973	2.0
217.08035	0.6
217.09785	1.4
217.13588	0.6
219.13396	3.9
221.04282	0.9
221.09303	0.7
221.11311	1.0
223.15509	0.5
229.05104	1.0
229.11760	1.6
231.02780	0.7
232.03648	1.0
235.10661	4.7
235.14439	1.3
237.10106	0.6
237.12398	1.8
238.18086	0.6
239.18425	0.5
244.03645	0.6
245.04422	5.1
247.12979	1.2
249.03877	0.7
249.15952	1.4
261.16055	1.0
263.10184	4.7
263.13943	0.9
265.11880	0.5
265.17908	0.8
266.21555	0.5
273.03885	8.1
277.15439	2.2
281.11292	1.1
283.02393	0.8
283.10727	0.6
283.18826	1.0
290.04163	1.9
300.13129	0.9
301.03333	2.6
301.11594	2.1
319.04446	100.0
319.12573	2.1
320.04727	1.2
331.04330	0.6
362.17236	1.1
366.14215	0.9
408.71848	0.7
451.26105	0.7
458.75076	0.6
472.76654	0.7
480.27112	1.2
480.38455	0.8
481.27234	0.9
481.60474	0.7
481.75909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54996	0.7
71.70449	0.8
73.03005	0.8
94.78142	0.7
94.93002	5.8
112.89613	1.0
113.26666	0.8
114.89336	2.6
130.95470	0.7
136.94006	63.1
148.48833	0.8
148.94017	17.2
166.95073	27.9
178.95056	2.8
183.16980	0.8
196.96124	9.3
201.01613	0.9
208.97348	1.1
214.89496	1.7
238.97108	0.9
256.90518	1.9
256.98212	19.1
381.07889	100.0
382.08194	2.2
419.03476	74.5
420.03500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.5
57.03413	3.7
57.07063	7.0
62.06078	27.2
67.05492	10.9
69.07058	17.6
70.06567	1.7
70.73152	3.5
71.08605	2.9
79.05470	4.9
79.56419	0.9
79.83427	1.0
81.07042	10.9
83.08602	11.5
83.32041	1.0
85.10175	2.3
93.07050	5.7
95.08594	8.5
97.06508	1.5
97.10155	5.4
98.06032	3.4
98.98475	5.4
100.60028	1.1
107.08571	5.1
108.08147	1.2
109.10130	5.5
111.11677	1.3
121.10099	4.6
123.11655	2.2
135.11670	4.2
142.02553	1.2
149.13165	1.9
155.01025	6.4
198.05257	1.3
216.06332	3.3
220.16940	2.0
221.17102	1.6
222.18526	1.9
223.18788	3.1
238.17950	7.0
238.68102	2.6
239.18620	7.9
239.68945	1.7
240.19637	12.1
241.19885	9.9
259.13235	1.1
265.25281	4.2
308.29422	55.2
309.29770	1.3
331.08594	1.0
339.28888	100.0
340.29355	1.7
341.46234	1.1
419.25375	4.8
462.29807	5.3
463.30591	1.2
480.30978	2.0
480.38248	21.5
481.14780	4.2
485.17548	1.4
489.87408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.19412	0.3
50.96468	0.3
53.03928	0.5
55.05505	10.3
57.03174	0.5
57.03430	6.1
57.06814	0.4
57.07072	4.4
62.06068	0.5
67.05166	0.6
67.05497	8.9
69.07060	16.0
69.42784	0.3
70.06590	0.7
71.04987	0.7
71.08627	2.5
71.20951	0.9
79.05487	3.8
81.07050	10.1
83.04971	0.5
83.08134	0.7
83.08611	10.8
85.06516	0.4
85.10172	1.1
91.05478	0.9
93.07034	5.1
94.90979	0.3
95.08595	10.0
97.06002	0.4
97.06520	2.4
97.10162	6.6
98.98438	0.5
107.08583	4.1
109.10155	4.0
111.08047	1.3
111.11703	1.9
112.72803	0.4
121.10139	4.6
123.11650	0.9
124.01567	0.4
125.09615	0.7
135.11684	3.2
136.40500	0.4
137.95625	0.3
139.11070	0.6
149.13303	2.0
151.14865	0.4
153.12766	0.7
158.88197	0.4
163.14758	0.4
179.88666	0.4
216.06270	0.7
222.18594	0.4
223.18875	0.6
238.17940	0.8
239.18633	1.4
240.19722	2.1
241.19855	1.6
247.24242	0.8
265.25217	1.4
308.29410	3.9
339.28903	100.0
340.29178	1.5
414.94107	0.4
415.76907	0.4
479.36304	0.4
480.38486	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	478.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.2
57.03435	3.9
57.07063	2.0
58.06591	0.9
62.05774	1.5
62.06081	25.6
65.03956	1.0
67.05497	24.4
68.05811	1.2
69.06711	0.9
69.07063	13.7
70.06568	3.0
70.07381	0.7
70.39520	1.2
70.39921	2.1
71.04979	1.1
71.06903	1.0
71.08660	0.9
74.44901	0.7
75.09753	0.7
79.05486	8.3
81.07049	27.1
82.07391	1.0
83.04968	1.1
83.08596	4.8
84.08139	1.1
88.33363	0.6
91.05474	4.3
93.07025	9.9
93.91773	0.8
94.06532	1.6
94.07294	0.9
95.08595	19.9
96.08107	2.2
96.08926	0.7
97.06525	1.1
97.08433	0.8
97.10155	3.4
98.06055	4.2
98.98454	6.6
105.07008	2.8
107.07346	1.2
107.08566	4.6
108.08099	3.4
109.08419	0.7
109.10137	6.9
110.09689	1.5
111.08060	1.0
119.08546	3.4
120.08154	0.8
121.10128	3.7
122.09684	1.2
123.11679	2.7
124.01612	1.7
131.08548	0.8
133.10115	2.5
135.11679	1.8
137.13252	0.9
145.10110	1.3
147.11639	0.9
149.13292	1.2
155.01022	4.3
161.13272	1.6
163.14799	1.2
173.02054	1.5
202.15962	1.2
208.16827	0.9
216.06329	2.6
219.15730	0.8
220.16919	10.6
221.17302	9.2
222.18549	4.7
223.18864	5.2
238.17989	24.9
239.18336	24.8
240.19601	17.6
241.19885	17.3
245.22693	1.6
256.19031	1.3
263.23712	5.4
263.26047	0.8
306.27878	56.7
307.28278	1.0
337.27338	85.6
338.27490	1.8
359.39542	0.8
372.74896	0.8
417.23914	1.7
460.28278	5.8
460.34421	0.9
478.37137	100.0
479.38098	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	478.2924
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03921	0.5
55.01846	0.5
55.05505	9.5
57.03428	5.9
57.07077	1.9
58.06554	0.3
62.06038	0.3
65.03920	0.5
67.05495	22.5
69.07059	14.7
70.06548	1.0
70.93993	0.5
70.94336	0.3
71.04948	0.8
71.08589	0.7
75.31532	0.2
79.05480	6.1
80.05784	0.3
81.07047	24.2
82.07342	0.3
83.04930	0.9
83.08607	6.4
84.08060	0.3
85.06518	0.6
85.10139	0.3
91.05470	4.0
93.06473	0.3
93.07032	6.4
94.06532	0.6
94.07310	0.2
95.04939	0.4
95.08592	16.8
96.08086	0.8
96.08890	0.3
97.06518	1.6
97.07013	0.2
97.08478	0.3
97.10149	3.2
98.06003	0.8
98.98421	0.5
99.08062	0.5
105.07013	3.1
107.08579	4.1
108.08072	1.0
109.06480	0.5
109.09455	0.4
109.10142	6.4
111.08039	0.8
111.11664	0.3
113.09603	0.2
119.08577	2.7
121.10123	2.6
123.08024	0.7
123.11687	2.4
124.01533	0.3
125.09579	0.5
133.10098	2.4
135.11659	1.2
137.13171	0.7
147.11691	1.3
149.13298	0.5
156.97577	0.3
161.13205	1.1
163.14772	0.6
175.14757	0.3
216.06285	0.8
220.16977	2.3
221.17230	2.9
222.18488	0.9
223.18942	1.1
238.17973	6.4
239.18324	6.5
240.19562	3.8
241.19885	4.6
245.22583	0.4
256.18967	0.3
257.19580	0.4
263.23691	0.9
295.25284	0.2
298.07840	0.3
306.27899	7.4
337.27322	100.0
338.27722	2.4
397.76294	0.3
478.37143	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	477.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05503	1.8
56.05013	0.3
58.06565	0.8
67.05500	1.9
67.69244	0.2
68.04995	0.7
69.07053	2.4
69.87140	1.2
70.06584	3.7
78.17913	0.2
79.05490	2.1
80.04985	0.4
81.07053	2.9
82.06589	1.0
83.08578	0.4
84.04473	0.4
84.08097	0.6
90.96989	0.2
91.05467	1.2
93.07037	2.0
94.06549	1.9
95.07323	0.3
95.08602	2.5
96.07554	0.2
96.08118	3.5
97.10111	0.5
98.09648	0.8
105.06985	0.8
107.07346	1.0
107.08585	1.2
107.09241	0.3
108.08099	3.8
109.08862	0.8
109.10098	0.5
110.09631	0.9
110.31863	0.2
116.90645	0.2
119.08546	0.8
120.08111	1.4
121.10157	0.5
122.09653	2.3
123.10414	0.4
124.11171	0.8
131.08560	0.3
134.09621	0.5
135.11646	0.5
136.11147	0.4
138.98056	0.2
143.08447	0.2
145.10094	0.4
154.12195	0.2
160.11217	0.3
170.11720	0.3
175.81783	0.2
176.14336	0.4
190.15849	0.3
192.17480	0.7
202.15883	1.0
203.04181	0.2
218.15347	0.9
220.16934	17.4
222.18520	8.2
223.18747	0.2
236.16391	0.4
238.17984	39.3
239.18355	0.5
240.19553	26.4
241.19788	0.3
256.19052	1.9
258.20605	0.4
459.35745	0.3
460.73331	0.2
477.36823	100.0
478.37103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05509	1.5
56.05026	6.0
58.99577	15.3
60.04507	4.6
61.01147	1.8
61.02890	0.9
67.05510	1.8
68.05038	1.0
69.03401	1.0
69.07046	1.7
70.02969	1.6
70.06585	34.2
70.24495	0.9
71.06926	1.8
71.18665	0.8
71.71664	1.1
72.08154	8.6
74.06068	5.5
74.90508	0.9
76.02219	97.8
76.03986	3.5
79.05476	1.2
81.03400	1.4
83.06109	2.0
84.04495	35.6
84.08133	52.5
85.02903	4.1
86.06098	0.9
86.09687	13.6
86.99014	4.2
87.04446	1.1
87.05586	4.2
88.02236	1.1
88.03987	2.6
91.05453	5.2
93.07045	1.0
94.06506	0.8
95.04934	0.9
95.06107	0.9
96.08121	1.9
97.02898	1.4
98.06056	1.6
101.07091	1.5
102.05547	3.9
104.05313	3.9
104.07101	0.9
106.05014	1.1
107.04926	3.0
108.08095	2.4
109.06501	0.9
110.06015	1.0
110.07162	8.1
112.02166	1.1
112.07581	1.3
112.08689	1.0
113.07091	1.6
114.03756	1.1
115.08686	1.6
116.01659	21.6
116.07082	3.3
119.04900	2.4
120.08102	7.5
123.04411	1.7
126.09163	2.2
127.03895	1.6
129.06572	1.3
129.10226	18.7
130.04991	14.3
130.08621	1.6
133.06122	1.1
135.04388	2.8
136.07535	5.2
137.06009	1.3
140.04663	4.2
141.04854	0.9
141.06433	0.9
141.10252	1.0
142.03212	10.0
143.08165	1.3
144.01134	14.9
146.02654	1.3
147.04413	3.5
154.08609	27.5
154.09813	1.8
155.04547	1.0
155.07016	4.2
156.07640	0.9
162.02190	47.0
163.03899	10.0
165.05524	1.2
165.07344	1.0
165.19173	0.9
167.07042	1.2
170.02704	4.7
170.06256	1.3
171.11255	1.7
173.12910	1.2
179.04829	82.5
187.05396	2.4
199.07137	1.3
201.12410	1.1
213.07532	9.4
213.12328	1.1
215.04840	3.0
216.03333	1.1
220.16917	3.8
221.17252	1.6
228.04185	1.1
233.05890	20.8
238.17990	7.7
239.18372	4.5
240.19579	4.0
241.19876	2.7
245.05972	4.2
256.19183	4.0
274.04608	1.7
282.49533	0.9
290.08005	1.9
291.06369	1.8
302.04068	4.2
308.09067	100.0
309.09595	1.3
317.06540	24.5
317.10132	1.7
477.36774	2.5
478.27084	14.2
478.37112	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	477.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54660	0.3
54.31718	0.3
55.05502	2.4
58.06569	1.4
60.60369	0.3
61.20070	0.3
66.22483	0.3
67.05500	2.6
67.99728	0.3
69.07056	2.8
70.06581	5.3
70.81932	0.8
71.04939	0.4
71.07262	0.3
79.05470	2.4
80.05010	0.5
81.06657	0.3
81.07040	3.5
82.06544	1.1
83.08587	0.7
84.08111	0.6
91.05428	1.0
93.06997	1.4
94.06549	2.0
95.08594	2.7
96.08118	4.5
97.06500	0.4
97.10137	0.6
98.09653	0.7
105.06979	1.4
107.07291	1.4
107.08588	1.6
108.08105	4.4
109.06487	0.4
109.10117	0.7
110.09628	1.1
119.08526	0.8
120.08051	0.9
121.10068	0.8
122.09644	2.6
123.10396	0.5
124.11205	0.7
134.09608	0.6
135.11670	0.6
136.11128	0.4
145.10057	0.5
146.09680	0.4
147.11584	0.5
156.23589	0.3
162.12730	0.4
187.79597	0.3
190.16008	0.4
192.13870	0.6
192.17484	1.1
202.15866	1.3
212.11708	0.3
218.15340	1.0
220.16928	25.5
221.17215	0.6
222.18500	9.4
236.16293	0.6
238.17981	66.9
239.18367	2.2
239.69063	0.6
240.19554	46.6
240.69218	0.4
241.19901	1.7
248.15724	0.3
256.19122	2.5
258.20602	0.4
459.35797	0.6
462.13315	0.4
477.36816	100.0
478.37186	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	477.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.2
55.05505	1.5
56.04996	0.4
58.06562	1.0
64.25205	0.3
67.05505	2.2
68.05000	0.3
69.07058	2.4
69.41978	2.5
69.94626	0.2
70.06585	4.0
70.37402	0.2
72.63014	0.3
76.26198	0.2
79.05475	2.4
80.04977	0.6
81.06639	0.3
81.07051	3.0
82.06567	1.2
83.08578	0.8
84.08117	0.5
91.05472	1.1
93.07030	2.1
94.06573	2.4
95.08585	2.3
96.08119	3.6
97.06514	0.2
97.10142	0.6
98.09641	0.6
100.89583	0.2
105.07055	1.1
107.07332	1.4
107.08566	1.7
108.08113	3.8
109.08826	0.6
109.10083	0.6
110.09688	1.3
117.07008	0.2
118.27102	0.2
119.08525	1.1
120.08070	0.9
121.10107	0.5
122.09653	2.0
123.10417	0.3
123.11654	0.2
124.11234	1.1
131.08517	0.2
132.08113	0.2
133.10121	0.3
134.09589	0.5
135.11639	0.4
135.82916	0.3
136.11208	0.4
145.10046	0.5
146.09711	0.2
163.11092	0.3
174.12704	0.5
176.14352	0.4
190.15916	0.3
192.17409	0.6
194.18971	0.3
202.15857	1.0
218.15341	0.9
220.16943	18.5
221.17299	0.5
222.18526	7.4
231.72011	0.2
236.16257	0.5
238.17989	37.5
239.18529	1.0
239.68921	0.2
240.19557	26.1
241.19868	0.3
256.19043	1.6
258.20709	0.4
291.54187	0.2
459.35565	0.5
465.01135	0.2
468.10019	0.2
477.36829	100.0
478.37143	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	477.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
56.05012	0.3
58.06582	1.5
67.05161	0.3
67.05490	2.3
68.04996	0.7
69.07059	2.6
70.06583	5.0
70.72526	0.6
71.04935	0.4
72.08119	0.3
79.05477	2.8
80.04986	0.6
81.07043	3.8
82.06558	1.5
83.08578	0.8
84.04462	0.2
84.08119	0.9
85.06511	0.2
91.05468	1.3
93.07037	2.1
94.06549	2.4
95.04909	0.3
95.07317	0.3
95.08051	0.2
95.08594	2.9
96.08116	4.6
97.06523	0.2
97.10126	0.5
98.09657	0.8
105.07025	1.3
106.06499	0.4
107.07326	1.5
107.08560	1.8
108.08103	5.0
109.08831	0.7
109.10115	0.8
110.09671	1.4
117.06963	0.4
119.08582	1.0
120.08073	0.9
121.08858	0.4
121.10087	0.6
122.09635	2.7
123.10396	0.7
123.11666	0.3
124.11234	1.0
128.65529	0.2
131.08517	0.5
133.10066	0.4
134.09618	0.6
136.11206	0.4
143.08542	0.3
145.10025	0.6
147.11612	0.2
148.11134	0.4
159.11763	0.2
160.11163	0.2
163.11124	0.2
170.11725	0.4
174.12808	0.2
177.85172	0.2
185.13211	0.2
190.15826	0.3
192.13779	0.4
192.17447	1.2
202.15880	1.0
218.15305	1.3
220.16930	23.3
221.17284	0.3
222.18507	9.2
231.67326	0.2
236.16478	0.8
238.17981	50.2
239.18370	0.9
239.68880	0.3
240.19547	35.4
241.19826	0.5
245.43610	0.2
247.49399	0.2
256.19043	2.6
258.20636	0.3
272.63657	0.2
407.21567	0.2
426.62881	0.2
459.35843	0.5
460.34088	0.2
476.63550	0.2
477.36816	100.0
478.37000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.2
57.03416	3.2
57.07066	1.3
62.05787	2.2
62.06083	31.5
65.03922	1.4
67.05170	1.8
67.05497	24.0
68.04984	1.0
69.06752	1.2
69.07064	10.6
69.58176	10.2
70.06596	2.1
72.97040	0.9
79.05483	15.7
80.05003	1.2
81.07049	19.9
83.08592	3.1
84.58350	1.1
85.66098	1.0
91.05465	8.2
93.07032	18.7
94.06559	2.7
95.04918	2.1
95.08600	16.7
96.08132	3.4
98.06022	2.1
98.98441	8.8
105.07019	5.8
106.10410	1.1
107.07316	1.2
107.08572	10.6
108.08118	3.8
109.10172	5.9
110.09643	1.2
110.84747	1.0
117.07042	1.6
119.08551	5.6
121.10122	5.9
122.09633	1.9
123.11675	1.5
124.01614	2.6
124.11268	1.1
125.27316	1.1
131.08565	2.9
133.10129	3.2
135.11664	5.1
142.02571	1.6
145.10101	1.9
147.11722	2.8
149.13194	2.5
155.01047	1.9
161.13208	1.8
173.02118	2.1
173.13272	1.6
175.14859	2.0
198.05283	2.0
216.06375	3.6
219.15582	1.7
220.16962	17.2
221.17307	12.1
222.18515	4.0
238.17995	38.2
239.18343	26.6
240.19580	10.5
241.19933	3.8
256.19113	1.6
257.19397	2.2
261.22052	7.1
304.26321	23.2
317.24557	1.2
335.25766	94.8
336.26138	3.8
415.22620	2.7
458.26682	7.7
476.35556	100.0
477.36771	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	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.4
57.03429	6.0
57.07036	0.9
58.09021	0.3
61.75641	0.3
62.06043	0.6
64.60722	0.4
65.03889	1.2
67.05494	26.1
67.05822	1.0
68.05787	0.5
69.07053	7.1
70.06550	0.4
70.07341	0.4
70.93046	0.6
70.93438	0.9
71.04937	1.1
79.05479	13.9
80.05779	0.5
81.07044	20.2
82.07355	0.4
83.04926	0.4
83.08604	2.3
85.06493	0.7
91.05462	5.7
93.07027	13.3
95.04904	1.4
95.08591	17.2
96.08060	1.1
97.06495	0.8
97.10097	1.0
98.05992	0.8
99.08033	0.5
105.07009	4.0
107.07333	0.5
107.08580	6.5
108.08047	1.2
109.06441	0.6
109.10136	5.6
111.07996	0.5
117.06951	1.1
119.08564	2.9
121.10137	4.9
122.09641	0.5
123.11623	1.6
131.08488	1.4
133.10098	2.0
135.08054	0.5
135.11688	3.1
138.89133	0.4
140.66891	0.4
145.10027	1.1
147.11609	0.9
149.09512	0.4
149.13161	1.2
152.19334	0.4
159.11653	0.4
161.13190	0.9
173.13083	0.5
175.14758	0.5
187.14789	0.4
193.85634	0.3
198.05191	0.4
216.06311	0.9
220.16937	5.3
221.17276	4.2
222.18495	0.8
238.17986	12.3
239.18330	9.2
240.19589	2.9
241.19757	1.5
256.18906	0.6
257.19330	0.6
261.22083	0.9
304.26303	4.1
335.25742	100.0
336.26041	5.1
435.89261	0.4
476.35608	29.9
477.36804	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	476.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.4
55.01862	1.2
55.05487	3.0
56.05016	4.9
59.04994	8.9
60.04513	7.5
61.01133	1.6
61.49825	1.1
62.45031	1.2
68.29508	1.0
69.03425	2.4
69.07066	2.4
69.68889	7.3
70.06584	78.7
71.06905	3.0
72.08146	25.4
74.06082	7.5
74.09676	1.3
79.05499	1.4
81.03407	2.5
82.06555	1.8
83.06071	1.8
84.04490	10.0
84.08139	16.8
85.02898	8.4
85.08481	1.2
86.09696	67.2
87.04437	3.3
87.05569	1.5
87.10013	5.1
88.03990	1.8
88.61618	1.0
89.06022	100.0
91.05453	3.9
92.28879	1.0
93.07021	2.1
94.06567	1.4
97.02864	2.4
97.07336	1.0
98.06019	1.5
100.07614	1.5
101.07137	1.8
102.05522	4.2
103.07555	3.3
104.05292	2.0
105.07008	1.9
107.07063	3.8
107.08515	1.2
109.02879	1.6
110.07149	6.8
112.08710	2.2
113.07146	1.4
115.08660	2.2
116.07090	6.5
119.04923	1.3
120.08099	26.5
127.03892	2.1
129.10223	9.7
130.04976	2.8
130.08597	1.2
131.08192	1.6
133.06032	1.4
133.08589	49.7
134.08107	2.1
135.04367	2.3
136.07576	6.8
141.06543	3.4
141.10187	3.4
143.08153	1.7
144.06549	1.7
145.02773	1.9
147.04385	1.6
147.07703	1.6
148.06097	1.3
151.09663	4.2
152.07028	1.9
155.11763	1.9
157.06207	1.6
157.13383	1.4
159.07571	1.3
159.11305	1.0
161.09268	1.4
163.03893	13.2
164.07001	2.8
169.09717	3.9
169.13373	1.5
171.07651	4.3
173.09206	1.3
173.12813	5.0
177.11229	7.8
181.09702	1.3
183.14909	1.4
185.16484	2.9
187.10767	44.2
189.08662	2.9
189.12370	1.4
191.11760	8.6
195.12236	5.3
201.12285	2.4
203.12100	1.2
212.10289	4.4
213.16006	1.1
215.13847	1.6
219.11237	5.9
220.17009	2.4
229.15620	1.2
230.11266	6.0
238.18037	2.7
239.14870	66.9
240.19479	1.7
258.14435	8.0
270.14426	2.2
272.16141	1.3
284.15982	8.2
290.14896	2.5
297.19049	98.0
302.17004	4.8
314.12350	1.4
315.20255	2.1
343.19888	2.1
396.19046	1.2
458.25961	3.7
476.15948	1.7
476.25888	2.3
476.35565	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	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05506	5.2
55.82127	0.9
56.05022	6.1
57.03421	4.4
58.06583	1.1
59.04984	1.1
60.04514	6.2
61.01137	1.0
61.02902	2.7
67.05479	1.6
68.05015	1.6
69.01340	0.9
69.03425	8.1
69.07058	3.3
70.02926	1.5
70.06580	100.0
70.83280	3.1
71.04983	2.0
71.06908	4.2
72.08141	44.7
72.85131	0.9
73.02906	7.2
73.08467	3.5
74.06061	7.5
74.09703	0.9
76.02220	1.6
79.05479	1.5
81.03408	3.2
83.04967	1.1
83.06062	2.3
84.04491	19.1
84.08131	26.9
85.02896	27.7
86.06055	2.1
86.09692	94.6
87.04472	2.4
87.05579	3.7
87.10026	3.6
88.03988	2.8
89.06027	2.9
91.03949	1.4
91.05462	7.9
93.07042	1.8
94.06544	1.4
95.01292	1.3
95.04951	2.5
95.06065	1.5
97.02883	8.8
98.02385	1.0
98.06049	2.3
99.04436	2.3
99.05579	2.4
101.07109	2.6
102.05521	8.1
103.05445	1.2
104.05320	2.2
105.07017	1.7
107.04929	2.8
108.08135	1.2
109.02867	2.1
110.06036	1.0
110.07143	12.6
112.08734	2.3
113.07130	2.2
114.09177	1.2
115.03925	1.2
115.04990	2.3
115.08685	3.1
116.07080	8.0
117.07015	1.1
118.06435	1.1
119.04928	26.8
119.08591	1.2
120.06611	1.7
120.08093	18.2
121.02843	2.7
121.06461	2.2
121.08438	1.3
122.09644	1.1
123.04407	27.6
124.07577	2.3
125.07047	1.0
127.03913	6.1
127.05035	2.7
127.08648	1.7
128.06189	1.5
129.10220	15.3
130.05017	4.0
130.06499	1.9
130.08620	2.0
131.04915	1.1
131.07019	1.1
131.08449	1.9
133.06395	3.9
135.04413	2.4
136.07567	6.4
137.05913	0.9
138.09109	3.0
141.06694	1.5
141.10217	7.4
143.08359	1.0
143.11816	2.5
144.05615	1.4
144.06607	1.4
145.04941	4.1
145.06459	14.1
147.04388	34.6
147.07823	1.7
147.11258	1.8
148.06041	2.0
149.05983	1.7
152.07053	1.6
155.03387	4.3
155.11749	1.8
156.07660	1.4
157.06319	2.6
157.09763	1.4
157.13332	1.8
159.04361	1.5
159.08008	6.5
159.11287	1.8
161.05978	7.7
161.09312	1.9
162.07648	1.2
163.03889	6.1
164.01656	7.9
164.07014	2.5
165.05461	34.6
166.08662	2.5
167.08189	1.2
167.46303	1.1
169.06477	3.8
169.09691	8.9
169.13374	2.0
170.05875	0.9
171.04454	4.7
171.07939	2.8
171.11282	1.5
173.05968	9.6
173.09235	4.0
173.12816	2.2
175.03929	3.2
175.07410	2.0
177.05458	1.5
180.10225	1.1
181.06320	2.1
181.09634	1.1
182.02664	8.9
183.11270	1.6
185.05962	4.8
185.16504	2.0
187.07529	6.1
187.10799	2.4
187.14410	2.7
189.05464	7.3
191.07053	1.3
191.11844	1.0
197.05959	22.0
199.07443	6.4
201.05458	5.3
201.12337	3.7
202.08160	1.8
202.12326	1.1
203.10118	1.2
207.06454	2.1
213.15900	1.4
215.06993	44.4
215.13847	3.2
216.09718	1.8
216.14124	1.4
217.04930	2.1
217.08577	1.1
219.06499	4.0
219.13309	2.2
220.16933	4.1
221.17352	1.5
224.09117	3.6
227.08997	1.3
231.06567	2.2
233.07977	6.3
235.05960	1.8
238.17987	6.6
239.18430	3.6
240.13411	8.6
240.19553	1.1
243.06483	51.2
244.06862	1.4
244.13304	1.3
247.12993	1.7
249.07538	14.7
258.14465	30.7
261.07535	41.0
261.14346	2.4
270.14578	2.3
272.16006	3.2
275.15900	1.3
279.08582	22.5
284.16211	1.2
297.09711	4.1
297.18976	2.5
314.12341	9.3
314.19913	1.5
329.18301	1.3
329.21854	3.5
343.23486	1.1
344.07855	1.7
353.21478	1.0
357.21149	2.7
371.22745	1.4
440.25735	1.6
458.25757	1.5
475.35220	3.4
475.75562	1.3
476.17612	5.3
476.25790	11.2
476.35455	11.2
476.60519	1.2
476.78293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
58.06577	0.5
64.72671	0.3
65.95939	0.3
67.05495	1.3
68.05008	0.4
69.07067	2.3
70.06579	1.5
71.53030	0.5
71.53368	0.3
77.23678	0.2
79.05486	2.0
80.05007	0.6
81.07044	1.9
82.06555	1.1
83.08579	0.4
84.08117	0.8
90.99232	0.3
91.05457	1.0
93.07029	1.6
94.06560	2.3
94.95206	0.2
95.07312	0.3
95.08572	1.2
96.08114	3.7
97.10120	0.5
98.09634	0.4
105.07005	0.6
107.07323	1.9
107.08546	0.9
108.08109	5.1
109.08858	0.6
110.09675	1.4
114.54771	0.2
119.08578	0.7
120.08054	1.1
122.09647	3.2
123.10421	0.5
124.07577	0.3
124.11194	1.2
131.08577	0.3
132.23189	0.3
133.10089	0.3
134.09630	0.5
135.10378	0.3
136.07555	0.3
136.11160	0.4
143.08476	0.4
146.09569	0.3
170.11739	0.5
170.64624	0.3
185.13223	0.3
192.17438	0.9
202.15837	0.8
203.59119	0.3
218.15379	1.2
220.16943	21.1
221.17361	0.7
222.18527	1.6
236.16499	1.6
238.17995	45.5
238.68190	1.0
239.18350	1.6
240.19583	5.5
243.65456	0.3
256.19119	1.8
377.55219	0.3
403.99164	0.3
475.35275	100.0
476.35620	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	475.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29908	0.3
55.05503	1.8
58.06583	0.3
60.26278	0.3
67.05490	1.8
68.04990	0.6
69.07056	2.2
69.64587	2.1
70.06581	2.3
74.93233	0.3
79.05483	2.2
80.04978	0.7
80.23112	0.2
81.07037	2.1
82.06544	0.9
82.57571	0.3
83.08588	0.3
84.08125	0.3
91.05427	1.0
93.07030	2.1
94.06553	3.0
95.07317	0.3
95.08585	1.4
96.08115	3.7
97.10144	0.6
98.09644	0.6
98.21506	0.5
105.06999	0.7
106.06550	0.4
107.07336	1.7
107.08540	1.2
107.60566	0.2
108.08105	4.8
109.06506	0.3
109.08852	0.9
109.10147	0.5
110.09621	1.3
110.10266	0.3
117.06964	0.4
119.08592	0.6
120.08110	1.5
121.10075	0.5
122.09007	0.2
122.09669	2.5
123.10452	0.7
124.11181	1.2
131.08545	0.6
134.09644	0.4
135.10500	0.3
136.07591	0.3
136.11124	0.4
137.33884	0.3
143.08548	0.4
145.10057	0.5
159.61847	0.3
160.11169	0.4
170.11774	0.4
176.14267	0.5
190.15831	0.3
192.08658	0.3
192.13782	0.4
192.17432	0.9
202.15834	0.9
204.89549	0.3
218.15323	1.9
220.16945	24.3
221.17519	0.4
222.18542	3.0
223.73103	0.3
236.16417	1.7
238.17986	63.4
239.18454	0.7
240.19560	9.9
256.19067	3.1
258.20523	0.4
288.23218	0.3
328.07748	0.3
340.66077	0.3
384.96161	0.3
475.35266	100.0
476.35629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
56.05014	0.4
58.06571	0.5
67.05495	2.0
68.04990	0.6
69.07056	2.8
70.06578	2.1
79.05125	0.2
79.05476	2.5
80.04978	0.7
81.07056	2.3
82.06566	1.5
83.08591	0.5
84.08141	0.3
91.05449	1.2
93.07045	2.4
94.06559	2.7
95.04929	0.3
95.07307	0.6
95.08601	1.5
96.07560	0.3
96.08115	4.6
97.10137	0.4
98.09647	0.9
98.14075	0.2
105.07007	1.3
106.06541	0.3
106.26163	0.3
107.07341	2.0
107.08586	1.3
108.07423	0.4
108.08103	5.3
109.08846	0.9
109.10099	0.3
110.09674	1.5
113.69197	0.3
117.06971	0.3
119.08534	1.0
120.08105	1.4
121.08841	0.6
121.10080	0.3
122.09647	3.4
123.10403	0.8
124.11217	1.3
131.08533	0.3
134.09607	0.6
135.10405	0.3
136.11191	0.5
145.10153	0.6
146.09612	0.3
154.12202	0.4
163.11121	0.3
170.11755	0.5
174.12735	0.4
176.14279	0.3
178.35127	0.2
190.15858	0.4
192.13885	0.3
192.17421	1.3
197.49426	0.3
202.15845	1.1
218.15388	1.7
220.16934	28.3
221.17216	0.6
222.18481	2.2
236.16437	1.7
238.17981	65.3
239.18324	1.9
240.19557	8.7
246.29947	0.3
256.19080	2.6
475.35251	100.0
476.35596	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
70.02935	0.6
70.06563	0.5
72.08128	0.7
74.02429	26.9
84.08128	1.3
85.02869	0.6
86.09690	1.3
87.05578	29.7
88.03961	5.1
98.02404	0.7
116.03450	7.0
129.10210	0.7
133.06067	100.0
134.04491	0.7
134.06488	0.6
155.61478	0.5
178.91087	0.5
229.46236	0.6
238.17978	1.8
239.84793	0.5
309.98386	0.5
475.35117	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	475.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.7
56.05016	0.4
58.06569	0.7
61.72730	0.4
67.05503	2.2
68.05000	0.6
69.07072	3.0
69.56600	4.1
70.06579	2.7
79.05489	3.0
80.04994	0.5
81.07062	2.6
82.06555	1.4
83.08581	0.7
84.08130	0.7
91.05465	0.9
93.05707	0.4
93.07030	2.7
94.06550	3.3
95.07298	0.8
95.08574	1.9
96.08126	4.4
97.10114	0.7
98.21465	0.8
105.07007	1.3
105.62470	0.4
107.07293	1.6
107.08555	1.9
108.08100	7.4
109.08844	0.8
109.10122	0.6
110.09673	2.1
117.07001	0.7
119.08554	1.0
120.08068	1.5
121.10139	0.5
122.09661	4.0
123.10384	0.7
124.11201	1.5
133.10110	0.4
134.09595	1.0
136.11235	0.5
145.10098	0.9
148.11116	0.5
190.15808	0.5
192.17441	1.8
202.15852	1.3
218.15366	2.3
220.16934	31.6
221.17307	1.0
222.18515	4.6
236.16367	1.6
238.17990	70.8
239.18340	1.7
240.19550	10.5
240.21841	0.7
256.19092	4.0
258.20551	0.4
281.38873	0.5
301.38538	0.4
377.26260	0.5
457.34274	0.6
475.35272	100.0
476.35629	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	474.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.3
56.05029	4.3
57.03436	0.4
57.05808	1.0
58.06580	1.0
60.04515	4.0
62.90074	0.4
67.05490	0.8
67.12405	0.4
68.05023	0.5
69.03392	1.1
69.07059	4.5
69.81164	1.8
69.81602	1.1
70.02943	3.2
70.06583	33.6
71.06914	2.4
72.08144	51.7
73.02924	0.5
73.08482	0.6
74.02424	0.6
74.06073	5.1
76.02226	0.6
76.04006	1.0
81.03409	0.7
81.07043	0.5
81.91052	0.3
82.06590	0.6
83.06098	2.0
84.03982	0.5
84.04492	13.6
84.08131	15.9
85.02902	2.0
85.04034	0.5
85.04824	0.6
86.06073	0.9
86.09693	100.0
87.05579	5.0
87.10023	2.1
88.03967	3.1
89.07130	0.7
90.05534	0.4
90.98385	0.4
91.05473	2.1
92.05803	1.0
93.07006	0.6
95.04939	0.5
95.06106	0.5
96.04491	0.6
96.08115	0.7
97.02897	1.0
98.02419	0.5
98.06022	0.5
98.09707	0.5
98.97560	0.6
99.05566	1.8
100.07603	0.7
101.07125	5.7
102.05527	5.8
104.05274	0.8
106.04999	0.5
107.04901	0.5
107.08565	0.5
109.02863	0.5
110.06020	0.7
110.07162	4.8
110.09687	0.9
112.08730	1.5
113.07133	1.0
113.10736	1.0
114.05553	0.5
114.09161	2.7
115.05049	0.7
115.08706	0.7
116.03428	0.7
116.07088	1.4
118.08698	0.4
119.04945	0.9
120.08099	4.3
122.07130	0.6
123.04394	0.8
124.07565	0.8
124.11234	0.6
125.07147	0.6
126.09084	0.5
127.03942	0.9
127.04948	0.8
127.08686	1.1
129.06590	1.2
129.10223	11.2
130.04984	10.1
130.06473	0.9
132.10204	0.7
133.06061	2.1
136.07559	4.0
137.09624	0.7
138.09091	0.9
139.08670	0.5
141.10204	2.1
142.12270	1.8
143.11792	3.5
144.06567	0.7
145.02879	0.7
145.06062	6.3
146.06349	1.9
147.04436	0.9
147.07625	12.3
147.11366	0.5
148.06067	1.4
153.06474	0.7
153.10201	0.5
154.04965	0.4
155.08154	1.4
155.11768	1.6
156.07649	0.6
156.10207	0.6
157.06158	0.4
157.09718	1.0
157.13396	1.7
159.07704	0.7
159.09233	0.7
159.11266	17.6
162.07600	1.3
163.03946	0.5
164.07040	0.8
167.06984	0.5
167.08215	0.8
169.09779	0.7
171.07742	0.8
171.11284	1.4
171.14891	0.5
173.09149	2.1
173.12874	1.2
175.10680	2.0
177.03299	0.7
177.05406	0.9
178.03555	0.5
179.04768	0.5
181.06104	0.6
183.11252	3.1
183.14909	0.9
185.09171	2.0
185.12851	1.3
185.16463	14.4
186.16782	0.5
187.10762	13.7
187.14381	14.1
188.07127	0.7
195.11217	0.6
196.06015	0.8
196.14458	0.7
197.06331	0.6
197.12881	1.1
199.07167	0.9
200.10329	0.6
200.13962	1.4
201.08702	0.8
201.12314	4.1
207.11382	0.5
211.10658	0.7
213.08655	1.1
213.15944	9.8
214.08995	0.6
215.13882	8.0
216.09749	1.0
217.08110	0.5
217.11797	1.0
219.13335	0.5
220.17001	0.8
226.08339	0.7
226.12064	0.5
228.13429	4.7
229.11845	2.9
230.15054	0.6
231.17085	0.6
237.00003	1.5
238.00095	1.0
238.18019	0.9
240.13541	1.0
242.14864	0.9
243.11113	0.5
243.13420	1.4
244.09280	3.8
246.14478	1.4
247.12953	1.2
260.16040	14.6
261.14279	0.7
262.13950	8.7
263.14087	0.5
270.14456	1.2
270.18015	0.6
272.12457	1.0
275.16092	1.1
282.18027	5.3
286.13965	1.0
286.17657	0.7
290.17175	0.5
294.11569	0.8
300.19113	5.8
308.09314	0.7
316.18616	0.6
326.06302	0.6
327.06699	0.8
327.17102	0.8
328.22232	2.3
341.21924	0.7
343.16150	1.3
353.25311	1.1
357.21536	1.1
361.17148	0.7
371.26697	0.5
375.22476	0.6
381.24948	5.0
399.26270	1.0
456.28397	0.9
456.73920	0.4
474.22821	0.9
474.28711	1.8
474.33545	1.0
474.75534	0.5
475.35672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05509	1.5
56.05026	2.2
57.03425	0.6
58.06587	0.7
59.09300	0.2
60.04518	1.2
60.05629	0.4
61.01142	0.4
61.02916	0.3
67.05453	0.3
69.03432	0.9
69.07069	1.0
70.02944	0.6
70.06582	100.0
71.04988	1.2
71.06923	1.3
71.69066	0.6
72.08145	12.5
73.02927	1.2
73.08484	0.3
74.06065	3.3
81.03413	0.4
81.07059	0.3
82.06577	0.4
83.06097	0.7
84.04494	5.2
84.08134	7.9
85.02891	1.6
85.08502	0.3
86.09695	14.4
87.05559	1.2
87.10009	0.4
88.03967	1.2
89.07159	0.4
91.05486	1.2
92.77768	0.2
93.07056	0.4
95.04939	0.4
97.02892	0.7
98.02431	0.3
98.06043	0.8
99.04451	0.3
99.05543	0.3
100.07639	0.7
101.07128	3.6
102.05535	1.3
104.05338	0.7
107.04931	0.4
107.08571	0.3
108.08179	0.3
109.02879	0.4
109.10162	0.3
110.07157	2.3
110.09689	0.7
111.09270	0.3
112.07555	0.4
112.08706	1.4
113.07132	0.5
115.03938	0.3
115.05026	0.3
115.08666	1.4
116.07059	1.7
119.04946	0.6
119.08584	0.3
120.06567	0.3
120.08081	1.2
123.04419	0.8
125.07074	0.5
125.09649	1.1
126.05428	0.3
127.03985	0.5
127.05048	0.5
127.08701	0.9
128.10733	2.2
129.06601	0.3
129.10223	5.5
130.04979	1.4
130.06491	1.7
130.08627	0.4
131.08202	0.4
132.08096	0.3
133.02867	0.9
133.06134	0.6
135.04416	0.7
136.07559	2.0
139.08627	0.4
140.06992	0.3
141.10234	1.1
143.10632	0.9
143.11794	1.0
144.08078	0.5
145.04951	0.4
145.06065	0.4
147.04375	0.9
147.07610	1.5
148.06036	0.3
151.03949	0.3
152.07051	0.4
155.08142	0.4
156.07857	0.4
157.09683	0.5
157.13348	0.7
158.09311	0.3
163.03902	0.7
164.07045	0.4
169.09724	1.0
169.13345	21.5
171.11433	0.3
172.07568	0.8
173.09247	0.9
173.12839	6.9
174.09138	0.5
175.10712	2.4
175.12019	0.5
177.10237	0.3
178.08623	2.1
179.03368	11.6
181.09744	0.8
183.14911	2.2
184.07443	0.3
185.09145	0.7
185.12804	0.3
187.10751	1.7
189.12608	0.3
190.08586	1.4
197.12830	12.4
200.13802	0.4
201.12317	2.4
203.10223	0.6
207.13766	0.8
209.09140	0.5
211.14438	1.2
211.45976	0.3
212.10283	0.4
213.08774	0.5
213.12251	0.5
217.11806	3.1
219.09518	0.3
225.14818	1.0
225.17091	0.6
226.11763	0.4
226.15486	0.4
229.15398	2.4
231.13289	0.3
238.17827	0.3
244.09541	0.3
244.12950	0.4
245.11374	0.8
258.14590	0.3
272.16016	45.3
273.16357	0.6
294.14667	0.3
298.17682	0.6
300.19000	0.4
310.21344	0.4
311.17102	0.3
327.20230	0.4
329.11414	0.4
339.08698	0.3
341.08606	1.3
351.20197	0.5
359.19119	0.3
374.83423	0.3
397.25156	0.4
470.06268	0.3
471.77292	0.3
472.15350	0.5
472.26947	4.5
472.32617	2.3
472.75928	0.6
473.26431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62987	0.2
55.05503	0.4
56.05030	0.8
60.04510	0.4
60.05634	0.4
62.25093	0.2
67.05483	0.5
69.03437	0.3
69.07061	3.8
70.02962	0.3
70.06580	100.0
70.36086	1.0
71.04980	1.8
71.06902	0.7
72.05313	0.3
72.08144	3.8
73.02888	0.3
74.06061	0.8
77.01434	0.2
81.07035	0.6
82.07351	0.2
83.53882	0.3
84.04488	1.4
84.08126	3.1
85.02898	0.7
86.09690	52.6
87.00832	0.3
87.05540	0.4
87.10024	0.5
88.03999	0.4
91.05442	0.4
96.16362	0.2
97.02898	0.3
98.06037	0.3
101.07126	0.3
102.05538	0.8
104.07072	0.2
110.07159	1.3
112.07552	0.5
112.08726	0.6
114.70684	0.2
115.08669	4.4
116.07072	1.5
119.04823	0.3
120.06560	0.5
120.08091	0.7
123.04270	0.3
124.11992	0.2
126.47106	0.2
127.03904	0.2
127.08633	0.5
129.10222	2.5
130.04988	1.3
130.08635	0.4
136.07565	0.3
141.10233	0.6
141.12704	0.9
142.13092	0.8
143.08153	2.5
143.11707	0.4
145.02888	0.4
145.06038	0.3
147.04390	0.4
147.07690	0.3
155.08107	0.5
157.09657	0.3
157.13370	0.5
159.13776	0.5
160.14124	0.5
163.03879	0.3
169.09665	0.5
171.11261	0.4
173.09195	0.6
175.11850	0.3
177.14813	0.7
179.03346	0.7
183.14886	0.6
187.10753	1.1
199.09126	0.4
199.10771	2.6
201.12247	0.5
206.15385	0.6
207.11259	0.2
211.14381	1.8
215.13895	0.7
217.11801	79.4
218.12141	0.8
226.15404	0.5
228.17041	0.6
240.13338	0.6
256.16544	3.0
325.22369	0.4
330.20114	2.5
353.21600	0.4
462.48328	0.2
472.27570	0.6
472.32434	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
67.05496	1.0
68.05027	0.4
69.07053	1.6
70.06583	2.3
70.76772	1.3
71.04978	0.4
72.08140	0.5
76.46391	0.4
79.05466	1.1
81.07047	1.2
83.05000	0.5
83.62405	0.4
84.04509	0.4
84.08078	0.7
86.09655	0.4
89.77432	0.4
91.05463	1.4
93.07024	1.4
94.06546	1.3
94.29484	0.3
95.08583	0.9
96.08107	0.9
101.05932	0.4
105.07002	1.3
107.07344	1.4
107.08603	0.9
108.08085	2.0
109.10120	0.5
117.07011	0.9
118.06528	1.5
119.07277	0.4
119.08578	0.8
120.08083	1.0
121.10140	0.5
122.09659	1.2
123.08070	0.6
129.07008	0.5
130.06520	1.5
131.07259	0.6
131.08571	0.5
132.08070	2.2
133.08865	1.2
134.09630	4.1
144.08099	0.9
145.10109	0.4
146.09627	4.0
147.10410	2.1
148.11209	0.7
157.08896	0.7
157.10138	0.6
158.09610	0.7
159.10448	0.6
160.11214	1.6
160.73813	0.4
162.09122	3.6
164.10722	0.5
165.09135	0.4
171.11702	0.7
172.11189	14.5
173.11784	0.8
173.13245	0.4
174.12755	1.5
180.10147	1.8
181.09996	0.4
186.12753	0.6
188.14320	6.3
198.12737	2.9
200.14249	2.3
214.12300	1.3
216.13808	18.4
218.15424	1.3
220.16945	5.9
223.07799	0.4
232.13300	8.1
234.14851	16.7
236.16411	5.3
238.17973	7.4
238.20119	0.7
240.19557	0.6
248.16452	0.5
256.19070	0.9
286.17966	1.1
439.90134	0.5
453.30966	1.5
471.32129	100.0
472.32507	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	471.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	5.9
56.45057	0.9
57.07070	8.6
57.96106	1.0
67.05489	3.1
69.07046	3.0
69.39391	1.0
69.39722	12.7
70.06557	1.6
71.08621	5.2
75.05593	3.5
76.03997	13.2
81.07055	5.9
83.06099	14.9
83.08592	1.6
84.04494	100.0
85.10170	2.7
93.07029	1.8
95.08601	7.2
97.10162	2.0
98.21574	1.2
101.07128	63.1
107.08599	1.5
108.21147	1.0
109.10187	2.4
113.07045	1.0
121.06490	1.1
123.11679	2.0
129.06593	3.5
141.06552	2.5
142.04996	2.0
149.46800	1.1
159.07773	1.3
164.98428	1.8
169.06085	1.9
172.92738	1.0
177.20978	1.1
181.06053	2.8
186.08723	40.5
187.07129	38.0
187.08853	1.2
201.20450	2.1
204.09769	24.8
209.05586	2.8
211.20618	11.4
226.08353	2.5
227.06725	2.0
240.19348	1.2
240.23204	12.4
244.09332	4.0
268.22687	42.1
269.23099	1.6
285.25272	5.8
336.69543	1.1
368.28915	1.6
396.28537	4.2
453.30408	5.5
471.34409	5.1
471.40863	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	471.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05506	9.0
57.03432	5.0
57.07056	1.8
65.03901	0.5
67.05495	22.7
69.07061	11.0
69.61317	4.6
71.04977	0.5
71.08607	0.9
78.61704	0.4
79.05481	6.1
81.07046	21.0
82.07394	0.5
83.04967	1.0
83.08614	6.2
85.06541	0.5
85.10182	0.6
89.62854	0.4
91.05463	4.3
93.07030	6.7
95.04935	0.9
95.08591	14.7
95.09209	0.7
97.06514	1.3
97.10136	2.8
105.07004	3.3
107.08574	3.6
109.10144	5.5
111.08073	0.6
119.08559	2.9
121.10136	2.3
123.11706	1.6
125.09577	0.7
133.10104	2.1
133.22906	0.5
134.98172	60.7
135.11650	1.3
145.10158	0.5
147.11700	1.4
149.13165	0.5
152.99265	1.3
159.11642	0.7
161.13258	1.2
162.16376	0.5
176.00810	2.7
209.01845	2.2
226.98015	0.5
337.27338	20.8
345.58609	0.6
348.01187	0.5
359.25528	9.1
377.26740	1.1
453.23688	1.6
471.24802	100.0
472.25125	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	471.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.9
57.03438	3.7
57.07060	2.6
61.96248	0.6
67.05492	19.5
69.07061	10.8
69.27949	5.8
69.28364	2.0
71.08614	1.6
79.05473	4.8
81.07041	19.8
83.08598	6.1
85.10153	1.0
89.06026	1.1
91.05451	3.7
93.07028	6.9
95.07986	0.9
95.08588	14.6
97.06531	1.6
97.10145	2.7
105.07001	2.4
107.08574	3.5
109.10154	4.9
111.08057	1.0
119.08556	2.8
121.10127	2.1
123.11697	2.5
132.67128	0.6
133.10095	3.1
134.98163	62.1
135.11716	1.1
137.13289	1.3
147.11749	1.2
152.99193	0.8
176.00859	2.3
203.48952	0.6
209.01863	1.9
337.23251	1.0
337.27298	20.5
337.31174	1.4
359.25562	10.9
374.07187	0.7
377.26413	1.4
397.98444	0.6
439.21918	0.9
453.23669	1.4
471.24799	100.0
472.25146	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.05022	1.5
57.03415	0.4
60.04505	0.9
61.01154	0.5
67.05489	0.6
69.03413	1.2
69.07046	1.7
70.06585	27.6
70.68578	1.1
71.04989	1.0
71.06921	1.8
72.08147	5.2
74.06075	0.9
79.05473	0.5
81.03412	0.9
81.07052	0.7
82.06567	0.5
83.04973	0.5
83.06085	0.5
84.04501	4.6
84.08139	7.7
85.02892	1.7
86.09696	13.2
87.00786	0.5
87.05587	0.4
87.10036	0.9
88.03984	0.7
90.05551	1.0
91.05470	13.0
93.07021	1.5
95.04937	0.7
95.08591	0.7
97.02863	0.8
98.06055	1.1
99.04439	0.6
99.09315	0.4
100.11234	0.6
102.05527	1.4
103.05432	2.0
104.05333	1.1
105.01849	0.6
105.07009	1.0
107.04966	1.1
107.08593	0.9
109.02871	0.6
109.06515	1.3
110.07162	3.6
111.08078	0.5
112.08710	0.4
113.07127	0.4
115.08685	0.8
116.07093	0.9
117.06919	0.4
118.06551	0.5
119.04930	10.4
119.08567	1.3
120.08090	77.7
121.06468	0.9
121.08427	0.8
121.10090	0.6
123.07989	0.4
125.09585	0.5
127.03869	1.2
128.06180	0.4
129.06541	0.4
129.10226	5.3
130.04996	1.6
130.06512	1.2
130.10634	0.5
132.08113	0.4
133.10023	0.8
135.08055	0.8
136.07562	100.0
137.07896	1.1
138.09071	0.4
145.04996	0.4
146.06128	0.9
147.04385	1.1
147.07690	1.0
148.06017	1.2
149.09587	1.1
153.09090	1.8
156.07707	0.6
159.09189	1.4
159.11618	0.7
161.09198	10.5
163.11189	0.9
164.07066	0.5
169.13377	0.9
171.13803	0.4
173.09241	0.6
177.12714	0.6
179.10614	0.6
183.14926	1.4
184.15320	0.6
185.16516	0.4
187.10912	0.8
191.11758	3.9
197.12834	0.6
199.18056	0.4
201.12267	0.6
205.12213	1.6
211.14398	0.8
212.10272	0.5
219.11244	3.3
223.13202	3.4
227.17525	0.6
238.12308	2.0
245.11378	1.2
246.14525	0.4
260.16321	0.4
283.14380	47.6
284.14600	1.5
308.15991	2.8
311.13867	27.4
312.14056	0.5
382.17502	7.2
388.74307	0.4
427.54169	0.4
470.78506	0.6
471.21182	1.4
471.29361	1.6
471.35809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3627
Annotation	Daphnioldhanin D
Peak:m/z	Relative Intensity
55.05505	2.2
57.07054	2.1
67.05495	15.2
69.07060	7.4
69.82387	2.2
69.82783	6.1
70.06583	2.6
70.60947	1.0
72.87667	1.0
79.05461	5.9
81.07045	15.1
83.04943	1.3
83.08603	2.2
83.14024	0.8
84.08127	2.6
88.79538	0.9
91.05454	5.8
93.07042	7.2
94.06548	3.7
95.04942	1.1
95.08595	20.6
96.08141	1.4
97.10149	1.3
98.09687	4.3
99.40007	0.9
105.07011	8.6
107.08578	11.4
109.10140	18.4
112.07584	3.2
117.06989	2.2
119.08566	10.5
121.10147	7.3
122.09675	1.5
123.08018	1.8
123.11736	2.5
124.11223	1.5
131.08572	4.3
131.58937	0.9
133.10098	6.5
134.98169	2.2
135.08000	1.9
135.11679	2.8
137.13235	2.8
137.84473	0.9
138.12694	1.2
140.10715	2.2
141.11481	0.9
143.08571	2.4
145.10152	4.6
147.07997	1.2
147.11681	3.7
149.13229	2.2
157.10132	2.2
159.11685	4.7
161.13232	1.9
162.12654	1.1
167.08847	0.9
171.11633	1.6
173.13255	3.7
175.14769	1.1
180.13847	4.0
189.16444	1.0
199.14815	1.8
200.88087	1.0
203.14349	1.6
213.16380	1.5
224.99348	1.1
261.22141	1.2
366.59055	1.2
410.34229	8.6
412.32687	1.0
424.35693	4.0
434.34265	1.2
452.35226	48.1
453.35608	1.5
470.36270	100.0
471.16156	1.4
471.25073	2.8
471.36572	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	471.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.3
57.98805	0.6
58.99578	15.1
58.99876	0.8
60.04508	0.4
61.01100	0.3
65.03920	2.0
68.44605	0.3
69.62248	3.1
70.02944	5.2
70.06585	1.2
70.30663	0.3
71.99106	0.5
72.04512	1.2
72.08163	0.4
73.01129	0.5
76.02216	56.8
80.05025	0.8
83.06088	2.9
84.04489	18.9
84.08157	0.4
86.09692	1.7
86.99034	2.9
88.02202	2.2
88.03973	0.5
90.05543	24.3
91.05464	100.0
92.05797	2.1
99.05563	18.9
100.03958	0.5
100.83189	0.4
101.01701	0.4
102.05492	0.7
107.06054	8.8
108.04484	0.6
108.08098	21.5
109.07600	0.7
110.11936	0.3
114.03728	0.9
116.01659	20.4
117.97805	2.7
120.65308	0.3
123.02633	2.4
124.02177	0.5
125.07099	0.5
127.05010	5.1
129.06593	2.1
129.76756	0.3
130.03221	0.6
130.04977	8.2
131.08133	1.1
133.55052	0.3
135.02586	0.4
135.05521	2.9
136.03880	1.1
141.04759	1.3
142.03188	6.4
144.01120	16.2
152.98267	4.8
153.06564	22.3
154.04962	0.6
158.02652	0.4
158.97147	0.4
159.07628	21.4
161.03752	0.5
162.14604	0.3
164.05269	6.7
166.06802	1.1
170.02635	2.7
171.35764	0.4
174.99942	1.8
176.02216	0.7
176.03738	15.6
181.06067	4.6
182.00919	2.2
184.02467	3.2
187.05354	3.1
191.06352	2.5
193.06392	31.1
198.94997	0.4
199.07109	25.2
202.99380	1.7
208.02367	0.6
215.04752	1.0
216.03171	0.5
225.05109	43.7
226.05289	0.9
233.05902	6.0
235.02019	19.8
240.19620	0.6
253.04613	4.9
253.07541	0.5
253.08153	0.5
254.02892	1.0
259.07431	2.0
264.95050	0.4
266.08307	1.0
270.10770	2.2
271.08984	1.1
275.01343	0.6
288.11697	0.9
305.07437	0.5
308.10577	7.6
322.10529	2.0
322.30127	0.4
325.06677	22.0
342.05286	0.6
342.09366	12.2
382.08820	9.6
383.08630	0.4
453.12527	0.9
471.13446	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	470.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05505	2.0
56.05020	2.3
57.03436	0.3
57.05786	0.3
58.06591	0.7
60.04517	1.9
60.05654	0.4
61.01142	0.6
61.02921	0.3
67.05492	0.5
68.05010	0.5
69.03423	1.4
69.07064	1.9
69.99736	0.3
70.02943	0.4
70.06582	100.0
71.04989	0.6
71.06919	1.5
71.18999	0.4
71.19361	0.7
72.08146	9.4
73.08474	0.4
74.06071	1.5
76.02230	0.3
79.05479	0.6
80.05010	0.3
81.03413	0.8
81.07043	1.2
83.04986	0.5
83.06090	0.8
83.08601	0.5
84.04494	8.6
84.08131	9.3
85.02900	1.9
85.08489	0.4
86.09692	34.0
87.00807	0.4
87.04467	0.5
87.05590	1.0
87.10024	0.7
88.03980	0.9
90.05550	0.3
91.05466	2.5
93.05796	0.3
93.07030	0.7
94.06552	0.3
95.04971	0.4
95.06092	0.4
95.08602	0.5
97.02878	1.1
97.06539	0.3
98.06040	3.8
98.09712	0.4
99.04450	0.3
100.11241	3.9
101.07133	2.6
102.05517	1.6
104.05298	1.5
104.10752	0.7
105.01836	0.6
105.07024	0.8
107.04948	0.4
107.08612	0.7
108.08120	0.4
109.02848	0.7
109.06516	0.8
109.10141	0.8
109.90932	0.2
110.06049	0.4
110.07156	5.0
111.04474	0.5
112.08718	0.6
113.07101	0.6
115.05000	0.3
115.08676	0.9
116.07082	1.2
119.04929	0.8
119.08572	1.5
120.08080	6.4
121.06467	0.6
121.08443	0.5
123.08057	0.5
124.99930	0.3
125.09618	0.5
126.05518	1.7
127.03894	1.0
127.08669	1.0
129.06587	0.7
129.10225	5.1
130.04984	12.9
130.06519	0.6
130.08635	0.9
130.10542	0.7
131.05208	0.4
131.11803	0.4
132.08092	0.3
132.10239	0.4
133.06111	1.0
133.10100	0.7
135.08055	0.5
136.07559	6.0
137.05945	0.3
137.09576	0.7
139.03923	0.6
139.08629	0.3
140.08176	0.3
141.06558	0.6
141.09099	0.4
141.10193	0.7
143.08351	0.4
143.10661	0.7
143.11716	0.5
145.04900	0.5
146.06099	0.3
147.04501	0.5
147.07625	16.8
147.11284	0.5
149.09615	0.6
153.06651	0.3
153.08965	0.3
153.12692	0.3
155.08163	1.1
156.07661	1.2
157.13347	0.8
159.02785	0.3
159.07805	0.3
159.09114	0.4
159.11613	0.4
161.09340	0.9
164.07083	0.4
169.09705	0.7
169.12169	0.9
169.13426	1.8
171.13777	0.4
179.10606	0.7
182.15372	0.7
183.14908	21.2
184.15236	0.3
185.12875	0.4
187.10799	1.4
187.13153	0.4
189.08969	0.4
189.51125	0.3
193.09903	0.3
197.10321	0.4
197.12845	1.6
199.18004	0.8
205.12212	0.4
209.02643	1.2
209.16527	0.4
210.14899	1.1
211.14384	13.3
212.10242	0.3
215.13866	0.6
216.14381	0.3
217.07982	0.4
220.16919	0.7
222.18521	0.4
223.13222	1.5
223.15260	0.4
225.09630	0.3
226.12013	0.5
226.15468	0.5
227.10152	0.5
227.17448	0.7
229.15402	1.4
238.18010	0.7
243.11192	0.3
243.13367	1.2
244.12900	0.7
244.16528	1.2
260.16034	7.7
283.14359	1.3
286.17542	2.0
296.23260	0.4
305.68188	0.3
311.13831	0.8
324.22726	5.2
327.20190	0.5
355.23642	0.4
357.21271	10.1
376.20575	0.3
381.11945	0.4
399.12897	0.6
452.28497	0.5
453.27515	0.5
459.98541	0.3
470.29605	34.5
470.77771	0.4
471.20541	0.5
471.29477	1.2
471.35248	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	469.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01859	3.0
55.05505	7.6
56.05027	11.3
56.96544	4.3
57.03417	5.7
60.04513	7.5
60.05623	1.9
61.01138	2.5
67.05495	9.5
68.05014	2.2
69.03410	8.3
69.07053	7.0
70.02924	3.2
70.06582	100.0
71.04977	6.2
71.06905	6.9
71.58205	2.9
72.08147	26.9
73.02898	6.4
74.06066	11.0
76.02208	2.5
79.05479	17.6
81.03402	4.7
81.07040	7.0
83.04971	33.2
83.06073	6.1
84.04491	25.7
84.08130	45.5
85.02903	11.2
85.06492	2.0
85.08460	3.0
86.06059	3.7
86.09693	42.3
87.00819	2.2
87.04436	3.2
87.05588	2.6
87.09993	1.7
88.04009	3.4
88.85046	1.5
90.05551	3.2
91.05446	11.3
93.04517	3.6
93.07034	42.8
95.04951	2.8
95.06067	4.4
95.08591	62.1
97.02893	7.7
97.06496	3.4
98.06017	3.9
99.04424	4.1
101.07112	5.9
101.65779	1.6
102.05534	8.9
104.05305	5.1
104.07087	2.1
105.07035	3.5
107.04919	3.0
107.08540	1.8
109.02824	2.4
109.10124	4.1
110.07152	58.3
112.08711	5.6
113.07072	2.5
114.05532	1.8
115.03844	2.5
115.08660	4.7
116.07066	5.4
119.04911	4.5
119.08569	2.4
120.06563	2.0
120.08078	13.1
121.02785	1.8
121.06470	2.6
121.10133	22.0
122.02692	4.5
123.05479	2.2
123.07973	1.7
125.07039	1.8
126.05460	3.7
127.03905	8.9
127.04789	1.2
127.08680	4.0
129.06566	3.1
129.10231	23.0
130.05014	2.5
130.08583	2.7
131.08139	2.3
133.06079	3.2
135.08008	1.5
136.06429	3.2
136.07561	24.9
137.05957	1.6
138.06551	2.2
139.03883	1.6
139.11157	66.4
140.07065	1.7
140.08163	2.3
141.06506	2.2
143.08138	1.6
144.06467	2.6
145.04903	2.8
146.99588	2.0
147.04396	4.7
147.07664	3.4
147.11287	3.6
153.06606	1.8
155.08157	4.0
156.07726	2.9
157.12219	63.8
159.07808	2.6
163.03891	2.9
164.07033	1.5
166.06071	2.5
166.08513	2.1
169.12190	3.2
173.09201	3.0
173.12878	3.0
177.05435	2.2
178.13409	5.2
179.07053	1.9
181.09589	2.1
183.15007	1.9
185.09224	3.6
187.07512	11.1
187.10643	3.2
189.08759	1.9
190.98587	1.7
199.07085	1.5
203.10654	2.3
211.11879	1.6
221.11891	1.8
223.15454	7.1
237.00671	2.3
237.13422	2.1
239.11377	2.2
245.11310	1.9
251.15002	12.3
253.09256	2.7
255.01657	1.5
257.13068	1.8
265.82013	1.7
269.11121	1.7
307.12943	3.2
308.05334	1.5
323.04752	1.9
336.36682	1.7
352.96436	1.5
353.01495	3.9
364.23376	2.6
451.26892	2.4
469.22354	6.5
469.27997	7.4
470.26871	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	468.3078
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.83285	0.4
55.05500	0.4
56.05026	0.8
57.03404	0.8
57.06858	0.3
57.07070	3.6
58.06598	1.1
60.08154	15.9
66.09472	0.4
67.05482	1.2
69.07042	1.2
70.06583	0.6
70.14341	2.1
71.07364	5.5
71.08620	2.6
81.07044	1.3
84.04520	0.3
85.10165	1.2
85.28947	0.4
86.09692	48.4
95.08604	1.6
98.21441	0.5
98.98460	2.3
104.10726	100.0
105.11031	0.4
109.10130	0.8
124.99985	24.9
127.60641	0.3
130.63356	0.4
143.01111	0.6
157.20665	0.4
163.01538	0.7
181.02565	0.4
184.07312	93.6
185.07672	0.6
258.11041	1.1
285.24240	2.5
300.62677	0.4
310.33157	0.3
391.22403	0.6
450.29755	8.8
468.30795	42.2
469.31128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.8
55.01864	3.2
55.05510	10.8
55.75441	1.3
56.05018	4.7
57.03413	1.7
58.06577	3.6
65.03923	1.7
67.05495	10.1
68.05039	1.7
69.03406	3.5
69.07056	11.2
70.06584	67.2
71.04984	1.8
71.06905	2.6
71.72486	2.2
72.08143	12.7
73.02890	1.9
77.69195	1.1
79.05489	11.0
79.21159	1.4
80.04998	2.2
80.05788	1.3
81.03401	3.8
81.07048	13.0
81.94276	1.2
82.06568	5.0
83.04976	2.9
83.08591	3.8
84.04501	7.0
84.08141	10.6
85.02892	7.2
85.06520	4.0
86.06086	1.5
86.09692	24.5
86.63059	1.3
86.93819	1.5
87.00816	1.6
87.10025	1.7
88.03973	2.6
90.05503	1.3
91.05449	10.0
93.07030	7.8
94.06545	5.2
95.04958	4.4
95.06033	1.4
95.08603	9.9
96.08140	9.0
97.02854	2.3
97.06518	1.8
97.10155	3.1
98.06028	1.5
98.09649	2.0
102.05516	2.4
103.05473	1.6
105.03387	1.6
105.07033	4.9
106.06513	1.7
107.04946	23.6
107.07377	2.6
107.08566	5.1
108.08125	11.2
109.02895	2.3
109.06489	1.6
109.10151	3.9
110.07166	7.2
110.09682	3.1
111.08153	1.5
112.08714	1.9
115.08669	2.6
119.04927	3.7
119.08547	4.3
120.08086	16.2
121.06543	1.8
121.10129	3.3
122.09624	6.6
123.04388	11.3
123.11658	2.2
124.11222	1.9
127.03898	4.6
127.11179	5.0
129.10225	6.2
130.04959	2.6
130.06456	2.0
131.08525	1.4
132.08080	2.1
132.10117	1.7
133.10130	3.3
134.09589	2.4
136.07564	5.6
136.11238	1.7
137.05969	1.6
143.08585	1.3
144.07977	1.6
145.10081	3.3
146.11685	2.1
147.04367	9.4
147.08008	2.5
147.11531	1.7
148.02144	1.7
149.09534	1.8
151.03894	4.4
159.07912	1.5
159.09164	2.4
159.11659	2.0
160.07559	2.0
163.03894	3.8
170.06039	1.6
175.03882	2.5
177.05443	1.8
179.03329	1.4
182.08200	1.4
183.14873	2.3
187.03947	2.0
187.10774	4.7
192.17488	2.2
202.15892	1.7
203.03450	2.6
215.03435	1.7
217.13374	1.6
218.08186	1.5
218.15407	2.9
220.16924	27.8
221.17256	4.0
222.18521	19.1
223.18829	2.4
226.11893	1.9
229.17398	2.6
230.18221	1.5
236.16385	2.6
237.17213	2.3
238.17990	100.0
238.68134	11.5
239.18684	32.2
239.68929	9.4
240.19547	49.4
241.19846	5.6
244.12938	2.6
246.18033	1.5
248.16541	2.2
255.06490	1.7
256.19107	3.9
258.14905	2.1
276.16025	3.0
297.07675	2.3
306.18869	1.7
319.19553	5.8
319.69626	2.0
324.18286	2.3
325.18848	16.3
325.68958	4.5
331.68796	5.9
332.19476	2.3
335.81433	1.5
345.68497	3.0
354.20047	1.6
370.21463	1.9
377.20032	3.2
386.20575	4.7
386.71066	2.1
387.22165	1.7
392.20868	1.7
398.19717	2.3
401.21924	1.9
407.21167	2.0
410.22620	2.2
412.20432	2.3
412.69669	1.6
413.21115	4.8
413.71094	2.5
419.23880	2.1
421.20880	3.8
459.22256	2.9
467.72412	3.7
468.22998	62.3
468.73032	29.0
469.23431	4.9
475.35156	3.0
476.33691	1.8
477.36987	7.5
478.36847	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	466.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01848	5.0
55.05507	16.6
56.05014	5.7
57.03418	3.4
57.07043	1.8
58.06572	4.9
58.71613	1.5
59.04991	2.4
61.02903	2.7
67.05493	13.6
67.11944	1.5
68.05811	1.9
68.99779	2.4
69.03420	18.5
69.07053	13.3
69.45641	17.5
70.06583	52.3
71.04961	4.7
72.04497	1.7
72.08127	6.7
73.02893	3.1
74.06059	4.0
76.02198	1.8
79.05476	10.9
80.04985	2.1
80.40189	1.4
81.03405	13.4
81.06591	2.4
81.07045	27.7
82.06559	4.5
83.04954	2.8
83.08604	5.9
84.04482	8.9
84.08141	13.2
85.02888	30.6
86.09219	2.3
86.09695	27.7
87.00828	11.9
87.10031	2.6
88.38337	1.7
91.05466	11.0
93.07034	9.8
94.06538	5.6
95.04963	2.5
95.08592	15.6
96.08115	7.8
97.02869	11.8
97.06520	2.1
97.10090	1.8
99.04422	5.9
105.01839	8.9
105.07019	16.1
107.07331	2.2
107.08590	10.2
108.08084	9.8
109.02862	16.0
109.06476	2.4
109.10149	8.7
110.07114	4.2
119.08550	6.5
120.07264	1.8
120.08092	25.1
121.02863	2.0
121.06502	2.4
121.08432	3.9
121.10088	7.0
122.09646	5.7
123.04416	2.9
123.08060	2.4
123.11681	37.2
124.07565	3.0
127.03910	23.5
129.10239	7.8
130.04945	5.1
131.08525	3.2
132.08049	2.3
133.10060	2.8
135.08038	4.8
135.11638	2.2
136.07558	3.6
137.02176	2.2
137.13255	10.4
143.08565	2.1
145.04930	8.0
145.10107	4.5
146.06027	2.8
147.04343	3.3
147.11662	17.0
155.08513	1.9
157.10094	3.2
159.02892	3.4
159.07904	1.8
159.11693	2.1
165.12732	23.8
173.09587	2.1
178.04890	2.2
179.05241	2.0
183.13776	23.9
185.09566	2.2
187.06000	2.9
187.11050	3.6
188.07018	4.6
189.07364	1.8
201.14844	10.6
213.12592	2.1
216.81313	1.7
218.15372	2.1
220.16927	22.5
221.17133	3.5
222.15089	1.8
222.18529	17.0
225.12660	3.2
229.17534	3.0
231.04907	5.3
234.16771	2.6
236.16487	2.7
238.17978	100.0
238.68129	21.5
239.18643	15.9
240.19556	55.0
241.19875	6.6
249.05939	2.7
253.18456	3.8
256.19110	4.9
277.69662	1.9
285.12299	9.8
286.12653	25.5
287.11023	2.1
296.70447	3.3
297.20624	2.5
303.05038	4.2
303.13248	6.2
304.05200	10.6
304.13492	17.2
304.71664	2.3
324.22681	8.3
324.73346	12.5
332.74069	6.9
333.24744	24.2
333.74930	6.7
342.25238	2.3
360.24390	1.7
409.26736	2.0
443.77945	2.2
444.28238	4.0
465.77179	6.8
466.21249	2.7
466.27692	25.4
466.78296	9.4
475.35147	2.4
477.37073	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	466.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01857	1.4
55.05493	1.9
56.05031	4.8
57.03414	2.1
58.06581	0.4
60.04515	4.5
60.05619	0.6
61.01127	1.9
61.02912	2.4
65.03925	0.5
67.05483	2.3
68.05018	1.2
69.03420	8.3
69.07060	2.4
69.71474	1.7
69.71900	2.2
70.02950	2.4
70.06582	37.9
71.04980	1.6
71.06913	3.0
72.08147	13.4
73.02909	2.8
73.08466	0.8
74.06071	2.5
76.02205	0.7
79.05470	1.7
80.05002	1.0
81.03406	3.7
81.07040	2.7
82.06573	1.1
83.06088	1.6
84.04495	8.7
84.08131	24.7
85.01124	2.9
85.02893	14.1
85.03975	1.0
85.06513	0.6
85.08453	1.1
86.06055	1.0
86.09692	32.6
87.04460	3.1
87.05581	4.4
87.10041	1.5
88.03999	3.1
90.26411	0.5
91.03932	1.4
91.05454	3.5
91.22910	0.5
93.04515	0.7
93.07049	1.4
94.06538	1.7
95.04938	1.0
95.08579	2.1
96.04462	0.6
96.08141	0.8
97.01099	1.3
97.02874	6.4
98.02359	1.2
98.06036	1.8
99.02678	0.8
99.04441	1.8
100.07549	0.5
101.02356	0.5
101.07114	1.6
102.03745	1.6
102.05534	2.7
103.03983	0.5
103.05462	0.5
104.05314	2.7
104.07127	0.9
105.06998	2.2
106.04944	0.8
106.06536	2.0
107.07314	0.8
107.08556	0.9
108.08102	1.6
109.02874	2.8
109.06503	1.1
109.08884	0.7
110.06020	0.6
110.07143	11.0
111.02661	0.7
111.07507	0.6
112.07555	0.8
112.08704	2.7
113.07108	2.1
115.03889	0.7
115.05056	1.9
115.08660	1.8
116.07080	2.4
117.06973	0.5
119.04927	1.5
119.08556	2.0
120.06636	0.5
120.08084	11.7
121.06464	0.6
121.10070	0.7
122.02650	0.6
122.09639	2.0
123.04421	0.6
123.08057	2.8
124.07560	0.5
126.05466	1.1
127.03880	3.3
127.08678	0.7
128.10631	0.6
128.83186	0.4
129.06552	0.7
129.10220	13.5
130.04994	1.4
130.06538	1.3
130.08586	2.5
130.10544	1.1
132.08054	1.0
133.06093	1.4
133.10109	0.8
134.09610	1.1
135.04362	0.9
135.10403	0.6
136.07553	11.5
137.04195	0.6
137.05920	2.6
138.09131	0.6
139.08636	0.7
140.05275	1.2
141.06703	0.5
141.10205	1.6
143.08437	0.6
143.11766	2.4
145.04944	1.1
145.10046	0.7
147.04350	1.8
147.07741	0.6
147.11299	2.0
148.11172	1.1
151.07489	1.2
153.01859	1.2
154.06851	3.1
155.07043	0.8
155.08214	0.7
155.11739	0.9
156.07661	1.8
157.06088	0.8
157.07593	1.1
157.09778	1.2
159.07671	0.7
159.09148	0.8
161.07330	0.6
161.09619	1.4
163.03857	1.0
163.11171	0.5
165.09169	0.5
169.09692	1.2
171.11295	1.2
173.09302	0.5
173.12856	1.3
174.08765	0.8
174.12726	0.5
175.08733	0.6
183.11304	1.2
183.14880	1.4
185.05513	1.1
185.09184	0.7
186.12398	0.8
187.10738	0.8
189.07343	0.7
193.09737	1.7
195.11380	0.9
199.10916	0.8
200.13930	3.9
201.12360	0.8
202.08179	1.0
203.10371	0.7
216.13898	1.8
220.13367	1.1
221.09244	1.5
228.13411	1.8
233.09781	0.5
234.14827	2.0
240.13385	0.7
241.12936	0.5
242.09198	1.1
246.14461	0.8
250.12593	1.3
253.09254	0.7
255.10945	0.6
268.13617	7.7
270.14383	0.8
284.13000	0.6
286.11810	1.7
286.14658	15.1
303.04822	0.8
304.05292	2.4
304.12762	0.9
304.15707	26.5
305.16025	0.6
328.15817	0.6
346.16864	1.5
393.33524	0.5
419.35291	0.6
448.21237	0.9
465.74823	1.6
466.20944	100.0
466.74435	0.7
467.21289	2.0
472.22815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.01854	1.4
55.05494	1.7
56.04794	0.3
56.05027	3.1
57.03437	2.6
58.06609	0.5
60.04504	1.5
60.05631	0.7
61.01130	1.2
61.02914	2.4
67.05498	2.3
68.05024	0.6
69.03420	7.3
69.07055	1.6
70.02943	0.8
70.06583	26.9
71.01316	0.4
71.03792	1.3
71.04985	1.3
71.06910	2.3
72.08147	8.5
73.02892	1.7
74.06058	1.8
79.05476	3.0
81.03399	3.0
81.07053	3.8
82.06562	0.9
83.04971	0.5
83.06071	0.8
84.04497	5.8
84.08131	8.5
85.01137	2.3
85.02430	0.8
85.02897	12.8
86.09693	15.6
87.02712	0.5
87.04446	1.8
87.05564	1.7
87.10004	0.5
88.03962	1.3
91.03919	0.9
91.05441	3.7
93.07030	2.9
94.06557	2.2
95.04953	1.1
95.06111	0.6
95.08583	3.0
97.01091	3.5
97.02874	5.0
97.06509	0.8
97.81064	0.4
98.06060	1.0
99.02663	1.4
99.04438	1.2
101.02393	0.8
101.07122	0.9
102.03741	2.2
102.05533	2.3
103.05426	0.9
104.05312	1.5
105.07030	2.7
106.06535	1.4
107.04934	0.9
107.08579	1.0
108.08091	1.6
109.02859	1.2
109.06490	1.6
109.08907	1.0
109.10126	0.6
110.06018	0.5
110.07149	4.5
111.02637	1.1
111.04361	0.5
112.08708	1.7
113.04195	0.6
113.07097	0.7
114.09083	0.5
115.02161	0.6
115.05052	0.6
115.08681	2.2
116.07070	0.9
117.07030	1.4
119.08581	3.0
120.06721	0.6
120.08088	10.2
121.06464	1.1
121.08434	1.3
121.10128	0.9
122.09653	1.3
123.02634	1.2
123.08044	2.8
125.04182	0.9
125.06006	0.6
125.07105	0.7
126.05509	1.1
127.03919	3.0
127.04828	0.6
127.08656	1.1
129.07022	0.6
129.10219	6.1
130.05003	1.1
131.08537	1.7
132.10028	0.4
133.06036	2.5
133.10112	2.2
135.02654	0.5
136.07562	4.3
137.04195	0.6
137.09616	1.2
138.09128	0.5
140.05273	1.2
142.06833	0.7
143.08226	1.3
143.11792	0.7
144.06508	0.5
145.04936	1.3
145.10124	1.0
147.02580	0.7
147.04373	0.8
147.07837	0.9
148.06035	0.5
148.11174	0.9
151.07535	1.9
152.06967	0.8
154.06828	1.0
155.05211	0.7
155.08206	1.0
156.07693	0.6
157.09985	1.2
160.07664	0.5
161.09596	1.3
163.03859	1.9
163.05774	1.0
163.11113	0.6
164.04192	0.5
164.07069	0.4
165.07114	0.4
165.09117	0.5
166.08527	0.4
167.08850	0.5
169.13361	0.9
171.11551	1.0
173.09239	0.5
175.11703	0.6
179.10628	0.9
181.09973	0.8
184.29468	0.5
187.14441	0.9
189.07291	1.7
189.12506	0.5
191.08932	1.1
192.13817	1.1
195.08545	0.7
199.11072	1.4
199.26773	0.5
205.10378	0.5
207.08279	0.6
207.11346	0.7
209.09973	0.8
215.08833	0.8
215.13968	0.4
216.13768	1.3
217.12257	0.8
222.64922	0.5
224.14514	0.9
226.12604	3.0
228.13449	0.5
228.37921	0.5
233.09921	1.2
233.16628	0.5
234.14886	0.8
242.15700	0.9
244.13611	2.9
250.12465	0.7
251.10902	1.3
252.15854	0.7
268.13672	1.5
269.12497	2.8
278.11356	0.8
286.14709	10.0
287.13400	1.4
302.14331	0.6
303.04880	2.3
304.05255	5.0
304.15732	38.7
305.15302	1.0
346.16833	1.0
448.21213	0.6
466.21005	100.0
467.21198	3.8
473.65363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
67.05495	0.6
69.03409	0.5
69.07055	0.7
69.71207	3.0
70.06579	2.5
72.08138	0.7
76.31427	0.3
79.05490	0.8
81.07044	1.1
84.04499	1.0
84.08136	1.2
86.09686	1.3
91.05470	0.9
93.07030	0.9
94.06553	0.6
95.04953	0.4
95.08567	0.5
106.06545	0.6
107.04927	0.4
108.08102	0.6
117.05773	0.4
120.08092	1.3
121.10152	0.6
122.05978	0.4
129.10191	0.7
134.05998	1.0
135.09166	1.1
136.07570	0.7
138.05489	0.4
139.11049	0.4
143.24994	0.4
148.07584	0.9
152.06985	0.4
155.53389	0.4
157.05363	0.4
161.07141	0.7
163.08661	6.5
164.07069	0.6
169.07555	0.4
172.07573	1.5
179.08189	1.2
182.08151	0.8
183.09227	0.9
186.09198	0.5
187.08617	0.9
189.10185	3.7
190.10985	0.7
197.10706	2.5
199.08630	1.2
200.09360	1.0
201.10234	0.8
204.10165	0.6
209.10707	0.6
211.08621	2.1
211.12149	0.6
212.09354	3.2
213.10178	2.8
216.10197	1.5
225.10185	6.6
226.10910	3.3
227.11783	2.7
230.11777	1.7
232.13188	0.4
237.10190	1.3
238.10983	1.4
238.18016	0.9
239.11775	3.8
240.12430	0.8
240.19443	0.9
241.09784	0.7
241.13300	0.9
241.19931	0.4
242.10403	1.0
243.11197	0.7
244.09552	0.5
245.10495	1.2
247.10646	0.5
250.08508	0.4
253.09747	1.0
253.13477	0.6
255.11314	1.0
257.12769	0.6
258.11050	0.5
259.10693	2.1
267.11234	1.1
270.10080	1.3
271.10748	3.5
272.11404	1.2
275.11798	0.5
276.12308	0.8
281.12863	0.5
283.10898	1.8
284.11548	1.3
285.12317	8.6
286.13077	0.6
287.11682	0.9
289.13077	0.5
290.13278	0.6
297.12305	4.4
298.13049	0.4
299.13885	0.7
301.12802	0.9
302.13654	0.5
303.05090	0.6
303.13687	0.6
304.05356	1.2
304.11673	12.1
306.16309	0.6
315.11292	1.1
316.11777	0.9
317.11887	1.1
318.12262	2.5
318.15628	0.5
319.12988	4.4
320.13690	0.5
329.12872	1.4
330.13190	1.3
331.12857	2.1
332.13901	5.2
332.17416	0.6
333.14716	2.5
334.15341	0.6
343.12842	3.6
344.13861	0.6
345.14764	0.6
346.15515	2.9
348.17004	0.4
359.13828	0.4
360.16983	0.9
361.15353	1.2
363.16867	0.5
364.16699	1.0
371.13806	1.2
374.12720	0.6
375.12646	0.5
376.13028	0.4
378.14380	2.5
379.15359	0.5
388.16391	1.5
389.14905	4.7
390.14603	2.2
391.15253	6.8
392.15817	2.4
393.16522	2.0
403.16562	0.6
404.15289	1.4
406.17545	11.1
407.17874	0.6
430.17740	0.4
431.15942	0.6
436.14987	0.7
448.18710	3.4
449.17038	2.4
451.17270	2.4
466.19678	100.0
467.19998	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	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73060	1.3
53.03950	1.6
53.52652	1.2
55.01860	1.8
55.05500	6.2
56.05034	9.1
57.03419	6.4
60.04514	5.9
61.01138	2.5
61.02909	2.7
61.96740	1.5
67.05493	1.8
68.05008	1.6
69.03426	7.1
69.07056	3.7
70.02932	1.8
70.06583	100.0
71.05009	1.8
71.06913	9.4
71.76287	1.6
72.08146	37.7
73.02908	3.9
73.08487	2.8
74.06069	8.2
75.04456	2.3
79.05493	3.1
79.89284	1.3
81.03425	3.3
81.07051	2.3
82.06615	1.8
83.04938	1.5
83.06092	4.7
83.90164	1.4
84.04493	20.2
84.08131	37.9
85.02895	15.0
86.06062	3.3
86.09692	40.2
87.04439	2.2
87.05584	3.6
87.10027	2.8
88.03960	3.5
91.05463	6.4
93.04526	1.8
94.04175	1.5
95.04942	4.8
95.06094	1.7
95.08621	1.5
97.02867	5.1
98.02429	1.5
98.06042	2.7
99.04479	1.8
99.05562	1.4
101.07124	3.0
102.05530	7.0
104.05315	5.4
104.07093	1.7
105.07054	1.3
107.04942	24.7
109.02833	2.6
109.06488	2.1
110.07148	26.6
112.07597	2.1
112.08702	4.4
113.07118	4.6
115.08678	4.2
116.07083	4.3
117.03366	1.8
119.04934	4.7
119.33524	1.3
120.06696	1.7
120.08093	21.7
122.02841	1.4
122.03667	6.1
123.04445	7.5
123.08058	1.5
124.07613	1.8
125.07134	1.4
126.05512	2.8
127.03873	2.3
127.08670	2.1
129.10226	31.3
130.04982	6.3
130.06534	2.3
130.08644	2.1
130.10628	1.6
133.06084	4.0
135.04355	7.6
136.07556	24.7
137.05960	93.7
139.08662	2.0
140.04660	44.7
140.08144	2.1
141.10234	5.1
145.02884	1.6
145.03938	1.9
145.04970	3.7
147.04390	5.1
147.07658	5.9
152.07060	2.2
155.07018	43.8
155.08098	2.3
156.07651	1.9
157.09761	5.3
159.11313	4.5
160.11754	1.4
163.03883	32.3
166.08543	1.6
167.03384	26.4
167.07019	8.3
167.08237	2.7
168.08578	2.2
169.09753	2.0
171.11259	1.7
172.09677	2.6
173.08069	5.4
173.12918	1.5
177.05424	2.3
185.09206	5.2
186.09351	2.1
186.12364	2.2
187.10733	2.8
195.06528	6.4
198.05208	3.4
200.13954	4.8
201.08870	1.5
213.07553	80.3
215.13873	1.5
221.09090	1.7
228.13513	1.6
234.15012	1.8
257.14023	2.0
266.15012	2.8
267.15433	2.7
268.13736	3.3
285.13492	2.1
285.16330	3.6
286.14728	5.7
287.11227	64.7
288.11621	1.8
303.04974	3.6
304.05331	7.1
304.12363	2.3
304.15787	7.9
465.75714	3.1
466.20584	33.7
467.21057	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	466.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05496	2.5
56.05016	4.7
57.03426	16.7
60.04521	5.7
61.02913	6.7
65.01467	1.0
67.05503	1.9
69.03420	15.4
70.02921	1.9
70.06583	41.2
70.82789	4.3
71.01344	1.9
71.06913	2.7
71.10898	1.1
72.08143	19.1
73.02908	37.3
74.06071	6.7
75.05558	1.4
81.03407	4.0
81.52096	1.1
83.06088	2.0
84.04501	15.1
84.08120	14.5
85.02894	28.3
86.09702	20.7
87.04447	1.7
87.05574	4.8
87.10007	1.3
88.03974	4.3
91.05476	13.7
93.07040	2.1
95.04947	1.9
97.02877	35.5
98.02395	1.5
98.06069	1.8
99.04462	1.4
101.07110	1.6
102.05533	4.9
103.05437	2.1
104.05291	2.5
105.07032	1.7
109.02887	2.8
110.07140	15.6
112.08722	2.0
115.03912	19.1
115.08669	2.3
116.07050	3.1
119.04919	10.6
120.08089	28.7
121.06485	3.2
121.08399	3.6
123.04439	2.8
124.07574	2.8
127.03911	6.7
127.04779	1.2
127.08717	1.8
129.06616	1.8
129.10231	8.8
130.05011	2.3
130.06564	2.1
132.08127	1.5
133.04939	6.3
133.06003	2.0
135.04381	1.9
136.07562	20.1
137.05954	100.0
138.05489	4.2
138.09132	1.3
145.04935	8.9
146.11713	6.0
147.04395	3.9
147.07646	2.4
148.07370	1.2
149.06000	6.1
151.07541	6.3
153.06641	1.3
155.07016	18.5
155.08211	1.9
156.06516	2.9
156.07669	4.6
157.06488	1.8
159.09192	2.8
161.05962	4.3
163.03903	3.7
163.06052	2.8
163.07513	1.5
165.05437	3.9
167.06969	10.0
173.05846	1.7
175.07515	3.6
175.11906	1.5
177.05519	1.7
178.75250	1.2
179.06976	14.0
185.05833	2.1
186.08701	1.6
191.07001	1.9
194.07469	1.3
195.06355	1.6
203.06934	3.8
205.08470	1.7
217.08672	1.8
221.07808	1.6
221.09419	2.1
223.05765	2.5
223.07578	4.1
227.07040	1.4
230.11372	2.1
233.08012	9.6
239.43376	1.3
241.07065	3.6
245.08009	1.5
251.09145	12.8
259.08176	2.6
263.09088	7.0
268.09686	3.5
269.10126	1.6
281.10315	3.6
287.11255	3.9
292.12872	5.9
295.10150	4.1
299.10944	1.9
303.04947	10.0
304.05261	18.9
304.11880	2.6
305.06262	1.4
317.12256	3.0
333.08017	1.6
363.19250	1.3
391.18106	1.8
429.85095	1.6
465.74731	2.0
466.20969	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.9
57.07059	11.4
58.36994	2.5
59.04998	4.1
63.12937	2.3
67.00933	2.2
67.05494	26.8
69.07053	19.8
69.60991	17.2
69.61405	6.0
71.08613	7.2
79.05483	21.1
81.07045	84.9
83.08604	9.3
85.06533	18.9
85.10167	3.4
91.05470	23.6
93.07030	40.5
95.08597	64.0
97.10159	8.4
99.04437	8.8
101.06004	7.9
105.07021	49.6
107.08580	62.7
109.06492	5.6
109.10152	39.2
111.11691	3.2
117.06985	3.6
119.08567	48.0
121.10133	42.5
123.08080	3.6
123.11652	19.8
127.07541	5.7
131.08574	17.1
133.10118	31.7
135.08125	2.4
135.11682	26.9
137.13243	4.7
143.08537	8.5
144.09346	2.9
145.10086	30.0
147.11664	24.6
149.09569	4.2
149.13232	36.0
155.08609	3.1
157.10100	13.9
159.11661	37.8
161.13286	18.2
163.13611	3.1
163.14772	19.0
167.10663	5.4
169.10167	6.2
171.11667	13.8
173.13219	20.6
175.14856	14.3
177.16443	5.4
183.11795	2.9
185.13251	9.6
187.14798	17.4
189.12701	3.6
189.16377	12.9
193.12212	6.8
195.13780	5.2
199.14825	7.3
201.16333	12.3
203.17880	13.0
207.13921	3.7
211.14763	3.7
213.16365	15.7
215.17970	18.9
217.19543	11.6
225.16270	3.6
227.17923	13.9
229.19479	9.4
231.20985	4.0
235.17053	5.9
241.19617	5.1
247.17094	2.8
255.20990	2.8
257.22601	23.9
269.22629	3.1
275.19968	3.8
283.24210	4.5
296.44910	2.5
301.21710	3.2
301.25299	2.9
303.04944	10.4
315.23138	3.4
323.27319	2.8
337.51697	2.6
341.24655	3.5
348.51187	3.0
351.30353	3.1
355.26318	3.2
409.80466	2.5
465.37170	100.0
466.37170	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	466.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.3
55.05487	2.1
56.05028	4.4
57.03160	0.9
57.03428	16.3
60.04509	3.0
60.05626	0.8
61.01139	1.5
61.02912	6.2
63.98798	0.7
68.05003	0.8
69.03417	18.1
69.07078	0.9
70.02946	1.6
70.06580	40.5
71.01338	2.2
71.04976	1.1
71.06899	2.0
71.57668	0.7
71.58079	1.1
72.08142	14.6
73.02905	40.9
73.07830	0.7
74.06052	2.6
74.09715	0.6
79.05453	0.7
81.03394	3.4
81.07040	1.1
83.04996	0.7
83.06075	1.3
84.04487	11.5
84.08131	13.7
85.02891	30.6
85.08449	0.9
86.09697	14.7
87.04457	2.1
87.05582	3.3
88.03962	1.9
91.03944	1.3
91.05466	13.7
93.07008	1.2
95.04951	0.9
95.06093	0.7
96.04456	1.1
97.02874	31.9
98.06037	1.3
99.04421	1.8
101.07132	1.7
102.05520	6.3
103.05364	0.8
104.05305	3.4
104.07072	1.5
105.06980	1.3
109.02885	3.1
110.07153	7.7
112.07577	0.7
112.08693	1.2
113.07091	1.2
115.03909	22.8
115.04844	1.1
115.05042	1.1
115.08665	1.6
116.07088	1.6
119.04922	9.3
119.08543	0.8
120.08083	26.2
121.06494	1.3
123.04395	1.3
124.07478	0.6
126.05484	1.3
127.03903	10.1
129.10219	7.7
130.04996	2.6
130.06447	0.7
130.08600	1.9
132.06577	1.5
133.04939	6.7
133.05893	1.2
136.07553	9.7
137.05952	100.0
138.09138	0.7
141.06569	2.0
141.10262	1.7
144.06534	1.5
145.04930	8.5
145.06113	0.9
145.06487	0.9
147.04396	2.5
147.07732	1.1
149.05928	3.7
150.07620	4.0
151.07529	5.0
155.07010	22.2
156.07616	1.4
157.06325	0.7
159.07854	0.9
159.09113	0.7
161.05943	3.1
162.07619	0.7
163.03911	2.7
163.05954	3.3
163.07393	0.7
165.05469	2.2
167.06966	5.5
167.08189	0.9
167.55444	0.7
169.06090	2.6
169.09669	1.1
173.05945	0.8
175.07524	2.9
177.10216	2.2
179.06996	9.2
180.08733	1.6
185.05919	1.0
185.16464	1.4
186.08885	0.9
187.07286	2.0
187.10747	1.6
189.05415	0.8
191.07004	1.5
193.50473	0.7
195.06343	1.1
195.11383	0.7
197.12733	0.7
198.08784	1.0
199.07491	1.1
201.12308	1.6
203.06981	5.2
205.09918	0.9
213.12364	1.2
217.08441	0.9
221.07950	4.0
223.06004	2.4
223.10826	2.4
233.07993	5.8
241.07033	4.5
244.09314	1.8
245.08070	2.8
251.09103	7.7
259.08075	4.3
263.09125	9.6
268.13135	0.8
277.12067	0.8
281.10175	5.3
284.16043	2.7
287.11258	2.2
292.12869	1.0
295.10107	4.8
297.78122	0.7
298.17542	1.3
299.11249	2.4
303.05005	2.9
304.05286	6.9
310.17529	1.2
317.12195	5.0
317.19040	0.9
334.14868	1.4
345.15436	1.6
465.75339	0.8
466.19656	2.3
466.25601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.3
56.05022	0.3
57.01567	0.4
57.03405	0.5
58.06580	0.6
60.04507	0.8
65.03927	1.1
65.22849	0.3
67.05482	1.3
69.03410	1.5
69.07049	1.5
70.06582	6.7
70.24931	1.6
72.08147	2.0
73.02882	0.5
73.34565	0.3
74.77343	0.3
79.05464	0.7
81.03399	0.9
81.07039	2.3
82.06551	0.4
84.04488	0.7
84.08130	2.0
85.02891	2.3
85.06503	0.4
86.09698	5.3
87.10009	0.4
91.05466	0.8
92.04967	1.4
93.07030	0.9
94.06553	0.7
95.05006	0.4
95.08591	1.3
96.08106	0.9
97.02856	0.9
97.91814	0.3
99.04427	0.6
101.95770	0.3
105.06984	0.9
107.08559	0.6
108.08077	0.6
109.02828	0.8
110.07124	1.4
110.09662	0.5
118.97682	0.4
119.08553	0.5
120.08089	2.5
121.10172	0.4
123.16253	0.3
124.11154	0.5
127.03874	1.2
129.10225	1.2
133.10155	0.6
134.05957	0.5
135.11743	0.4
136.07559	0.5
138.05484	14.0
138.06548	0.7
138.09106	5.4
139.90082	0.3
143.08556	0.5
145.10062	0.7
147.11705	0.8
149.09550	0.4
150.09106	1.3
156.07722	0.7
166.04979	18.8
167.05284	0.4
184.11200	0.6
187.14464	0.5
198.09122	0.4
211.12245	0.9
212.10646	1.5
214.12386	2.5
220.17003	1.0
222.18524	1.3
228.08730	0.4
229.09586	0.9
229.13210	1.9
230.11661	2.1
232.13332	2.5
238.17979	3.5
239.11842	1.1
239.18561	0.8
240.10242	0.8
240.19519	4.7
242.11823	2.4
243.11285	0.7
244.09544	0.5
247.10941	0.5
256.08319	1.2
257.09305	1.1
257.12823	7.0
258.11157	0.5
259.11926	0.8
260.12775	2.2
267.11157	0.8
268.09717	0.8
272.11523	10.6
274.09421	5.7
275.10263	1.2
275.13864	5.4
285.12296	15.6
286.10516	0.9
303.05228	7.5
303.13339	100.0
304.05362	0.7
304.13651	3.0
323.72568	0.4
332.24030	1.2
422.29419	0.4
443.27692	1.4
455.74850	0.5
464.74231	0.7
465.18521	5.6
465.26465	2.3
465.77164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.4
55.05502	14.0
57.07065	10.9
67.05496	26.6
69.06716	2.9
69.07059	37.3
71.08617	5.2
71.75387	2.1
71.75793	2.1
79.05479	11.0
81.07044	46.0
83.08614	11.2
84.76805	2.1
85.10155	2.9
87.57428	1.6
89.06021	20.4
91.05481	12.8
93.07042	25.0
95.08598	49.5
97.10157	6.2
105.07005	27.8
107.08572	30.8
109.10140	44.2
111.11710	2.6
115.05446	2.5
117.07007	7.0
119.08564	26.6
121.10110	22.1
123.11701	23.5
128.06174	3.3
129.07004	8.3
131.08546	24.3
133.08580	12.4
133.10097	19.8
135.11641	16.4
137.13217	7.6
141.06978	3.7
142.07739	3.9
143.08534	18.1
145.10092	23.7
147.11658	18.0
149.13264	13.2
151.14737	2.0
155.08521	8.6
156.09293	4.2
157.10112	19.4
159.11661	23.6
161.13283	13.4
163.14819	7.9
163.44426	2.3
167.08604	2.3
168.09410	2.3
169.10106	13.2
170.10939	2.1
171.11658	16.3
173.13239	15.2
175.14784	7.7
177.11218	3.2
177.16362	3.8
181.10121	2.8
182.10870	2.6
183.11682	13.8
184.12370	2.8
185.13246	28.8
187.14812	12.1
189.16312	5.4
191.17970	3.4
195.11746	6.6
197.13252	14.3
199.14830	11.3
201.16414	8.1
203.17940	5.8
205.19550	2.4
209.13258	4.9
211.14771	10.5
213.16338	6.1
215.17958	4.9
217.19533	5.5
223.14841	3.4
225.16362	7.3
227.17947	5.1
229.19482	3.8
233.15532	2.3
237.16367	2.4
239.17964	6.3
241.19501	4.5
245.15332	5.6
247.16928	5.4
253.19481	5.8
255.21146	2.8
259.16916	2.2
261.18463	4.4
267.21219	3.7
271.16800	2.0
281.22641	2.1
283.17441	4.9
285.18481	2.5
287.20087	4.1
293.22861	1.8
299.20041	3.4
303.04865	5.0
313.21667	2.2
321.25616	2.6
337.28693	2.6
349.28806	2.1
353.24738	2.0
363.30469	2.2
383.29419	3.7
405.34900	12.4
409.30777	3.2
416.78604	1.9
454.51422	2.0
465.32126	3.7
465.37256	100.0
466.37589	5.8
472.70264	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	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03940	0.5
55.01855	0.4
55.05515	0.1
57.03432	0.9
61.02916	1.6
65.03923	0.2
68.99788	0.7
69.03421	3.6
70.06568	0.4
71.04972	0.4
71.27358	0.2
72.08128	0.3
73.02911	0.6
81.02660	0.1
81.03412	1.8
83.01313	0.2
84.04491	0.1
84.08112	0.1
85.02893	10.3
86.09682	0.4
87.04453	0.4
91.03940	0.7
91.05467	0.1
93.03374	0.4
95.04939	0.3
97.02880	3.9
97.03506	0.2
99.04430	0.6
101.02342	0.1
109.02853	1.4
111.00780	1.1
111.04400	0.1
115.05486	0.1
117.07046	0.1
120.08106	0.4
121.02858	0.9
123.04418	0.3
127.03904	2.2
135.04379	0.3
136.00671	0.1
136.07579	0.2
137.02324	3.8
137.03380	0.2
145.04935	1.8
145.06229	0.2
149.02417	0.5
153.00552	0.2
153.01811	4.3
155.04913	0.2
161.05948	0.3
163.03880	0.6
165.01834	2.4
166.02605	0.3
173.05887	0.5
177.01682	0.1
179.03391	0.1
183.02864	0.7
183.04387	0.3
187.03893	0.3
191.03351	0.3
195.02907	0.2
201.05455	2.2
205.04933	0.2
207.02855	0.2
215.03323	0.1
219.02974	0.1
219.06519	0.3
228.04132	0.3
229.04938	5.1
239.03535	0.1
246.05275	0.1
247.05927	0.7
247.18643	0.1
257.04407	2.4
274.04733	0.8
275.05533	0.2
285.03900	1.5
303.04950	100.0
304.05313	2.8
315.04773	0.2
345.06058	0.3
447.09210	0.2
465.10126	0.3
466.48840	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	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03937	0.6
55.01858	0.5
55.05503	0.4
57.03423	0.6
60.44103	0.2
61.02924	1.5
64.28151	0.3
67.50458	0.3
67.50813	0.3
68.99773	0.6
69.03418	3.3
69.73813	2.5
70.06583	0.5
71.04987	0.5
73.02896	0.3
80.04952	0.3
81.03400	1.8
83.08545	0.3
83.33300	0.3
85.02893	10.0
87.04449	0.4
91.03935	0.5
91.05461	0.3
95.04946	0.5
97.02888	3.1
99.04430	0.5
100.11237	1.2
109.02861	1.3
111.00762	0.8
113.68734	0.3
121.02839	0.8
123.04395	0.5
127.03916	2.1
128.15825	0.3
137.02332	3.3
145.04926	2.2
149.02292	0.5
151.65833	0.3
153.01805	4.3
163.03841	0.5
165.01794	1.8
165.44099	0.3
166.02612	0.3
173.05991	0.5
182.15274	0.5
183.02861	0.8
183.04364	0.5
201.05434	2.0
220.16888	0.7
222.18436	0.5
224.97920	0.3
228.04164	0.4
229.04903	4.2
238.17964	1.4
239.18753	2.5
239.68967	1.4
240.19510	2.2
247.05833	0.4
247.18704	0.3
257.04343	2.0
274.04721	0.7
285.03848	1.4
303.04950	100.0
304.05203	3.7
435.33435	0.5
453.34204	2.6
454.34991	0.5
455.66235	0.4
458.76212	0.3
477.36954	2.3
478.37198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3774
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05230	2.9
55.05504	44.1
57.06797	4.5
57.07067	74.4
67.05499	21.9
69.03416	5.0
69.07059	93.6
71.08621	52.4
71.60389	4.7
79.05476	20.2
81.07049	53.3
83.04979	3.0
83.08608	68.9
85.06550	3.0
85.10165	29.6
91.05480	19.4
93.07028	34.6
95.04926	7.0
95.08595	46.6
97.06487	2.8
97.10153	52.5
105.07013	40.5
107.04919	2.4
107.08573	61.2
109.06497	25.5
109.10144	30.0
111.08054	15.3
111.11700	24.0
113.00027	4.6
113.13231	2.8
117.07002	7.2
119.08573	42.5
121.06455	7.3
121.10124	25.7
123.08069	22.3
123.11687	12.7
125.05950	8.0
125.13242	10.7
131.08566	13.5
133.06436	3.6
133.10123	30.6
135.08031	41.5
135.11671	15.6
137.05969	7.5
137.09618	13.7
137.13280	4.3
139.07524	4.4
139.14822	4.9
142.07802	3.4
143.08481	3.1
145.10127	12.4
147.08011	10.9
147.11642	25.8
149.05989	3.1
149.09583	14.6
149.13261	12.1
151.07533	20.0
151.11192	3.7
151.14816	4.4
157.10098	11.0
159.08035	4.3
159.11684	16.1
161.09584	13.9
161.13240	35.1
163.07484	4.6
163.11151	3.5
163.14825	7.3
165.09131	5.6
165.12714	4.0
167.07013	13.2
169.02612	3.9
169.08582	5.2
170.23706	2.6
171.11687	11.7
173.09596	5.2
173.13243	7.8
175.07535	5.1
175.11168	10.0
175.14799	13.6
177.09126	14.2
177.12694	6.8
177.16324	3.6
179.07080	4.5
179.10640	7.1
179.14352	3.3
181.08565	24.1
185.13216	8.7
187.14781	4.3
189.12738	21.1
189.16362	5.9
191.14276	7.4
193.08589	8.5
193.12282	3.7
195.10118	4.1
195.13789	3.3
199.14767	2.7
203.10678	5.6
203.14296	12.3
203.17902	4.3
205.12375	3.8
205.15761	3.3
207.13748	3.3
217.12204	7.5
217.15778	7.1
217.19460	4.3
219.13770	7.1
219.17392	3.3
221.11690	6.4
229.15837	3.7
231.13753	7.2
231.17393	3.5
231.21082	3.2
233.15222	2.7
235.13298	10.1
237.14787	7.3
238.17867	4.4
245.18884	3.2
249.14795	7.0
250.42096	3.4
251.16278	7.6
259.16907	3.0
259.20627	4.9
263.16269	7.5
277.17996	10.1
279.19473	4.0
291.19479	11.3
293.21085	3.0
301.21646	4.0
305.21149	13.9
307.29974	5.7
317.28339	5.3
319.22678	12.3
321.24109	3.7
333.24313	13.2
347.25650	7.0
357.35092	43.7
361.27289	7.7
363.28903	4.5
371.29285	4.9
375.28726	9.4
375.36258	14.1
385.34552	6.5
389.30405	11.9
399.36169	41.2
401.37451	3.5
403.35504	8.4
409.34122	4.4
417.37146	35.6
427.35730	39.8
445.36746	100.0
446.37439	5.4
463.37305	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	465.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01854	0.6
57.01656	0.1
57.03424	1.0
61.02915	1.4
65.03913	0.2
68.99793	0.7
69.03423	3.0
69.61627	0.3
69.62141	0.9
69.62598	0.2
70.06557	0.5
71.01350	0.1
71.04963	0.4
72.08141	0.3
73.02890	0.4
73.96997	0.1
81.03409	1.8
83.01344	0.2
85.02892	9.7
86.09689	0.8
87.04452	0.3
91.03930	0.6
93.03403	0.3
95.04971	0.4
97.02876	3.9
98.20813	0.2
99.04442	0.4
100.02663	0.2
109.02874	1.3
110.07134	0.2
110.70489	0.1
111.00803	0.9
117.02122	0.1
120.08095	0.8
121.02864	1.0
123.04403	0.4
127.03896	2.1
137.02319	3.5
137.03296	0.2
145.04939	1.6
145.06091	0.2
149.02299	0.4
153.01801	4.1
155.04860	0.2
155.11775	0.3
156.81137	0.1
161.05962	0.3
163.03850	0.7
165.01819	2.2
166.02550	0.2
173.05939	0.5
177.05482	0.2
179.03375	0.3
183.02861	1.0
183.04356	0.2
184.81081	0.2
187.03854	0.4
195.02817	0.3
201.05437	1.9
205.04860	0.2
207.02713	0.2
219.03020	0.2
219.06427	0.3
228.04117	0.2
229.04922	4.7
238.18028	0.7
238.68246	0.2
241.13284	0.3
243.08771	0.4
244.09651	0.2
247.05962	0.6
257.04398	3.1
274.04834	0.7
275.05283	0.2
285.03882	1.4
285.12384	0.2
303.04938	100.0
304.05301	3.4
315.04895	0.5
319.04547	0.2
345.05936	0.3
369.06113	0.2
376.84363	0.1
447.09180	0.2
465.10165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3774
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01851	1.4
55.05500	11.9
57.03441	0.9
57.07067	32.4
59.15586	1.0
66.58634	0.9
67.05473	6.3
67.55660	1.0
69.06704	1.9
69.07055	25.4
71.08619	26.8
71.78055	1.4
72.08962	1.1
72.13182	1.0
73.66280	1.0
79.05488	5.0
81.06625	1.4
81.07050	17.8
83.05022	1.2
83.08605	16.7
85.10173	14.9
91.05450	4.7
93.07026	9.1
95.04922	1.8
95.08583	17.7
97.02866	1.6
97.06499	4.2
97.10156	12.9
99.04453	5.0
99.08087	1.4
105.07021	7.6
107.04942	1.1
107.08574	7.1
109.06498	12.7
109.10143	8.9
111.08058	2.9
111.11678	6.2
119.08524	5.5
121.06480	2.7
121.10101	4.7
123.08033	12.5
123.11681	4.0
125.05954	17.5
125.09590	1.6
125.13279	1.5
127.07533	36.3
131.08534	3.5
133.10109	4.4
135.08002	3.2
135.11650	2.1
137.05914	6.9
137.09596	3.3
137.13216	1.1
139.07515	100.0
140.07895	1.1
145.10091	3.0
147.08067	1.3
147.11690	2.9
149.05934	4.9
149.09583	3.7
151.07513	7.0
151.11147	1.5
158.96861	1.0
161.09592	2.3
161.13222	2.4
163.07550	2.5
163.11182	1.3
163.14853	1.3
165.09094	3.2
167.06987	6.4
169.08582	1.6
173.13246	1.7
175.11159	2.7
175.14790	1.9
177.09099	12.3
179.10634	3.2
189.12750	1.4
193.12280	2.0
195.10049	1.0
203.14240	1.8
207.13788	2.3
219.13705	1.3
221.11873	1.5
249.14905	2.5
249.18495	1.5
260.85425	1.2
263.20117	1.9
277.21585	1.4
301.28830	3.9
311.22113	1.1
319.29843	12.3
328.47910	1.1
347.33057	15.1
373.30984	3.1
385.34528	1.4
399.36255	3.9
403.35437	4.6
417.37256	15.0
427.35754	3.5
445.36716	70.4
446.37155	4.7
463.37775	75.6
464.38058	5.6
464.49588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3777
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05508	10.8
57.07067	32.2
58.42658	1.1
59.94157	1.1
67.05482	4.3
69.07056	23.6
71.04954	1.2
71.08625	22.7
71.76077	1.4
79.05474	4.8
81.07047	18.2
83.08611	14.5
85.10174	13.7
86.27712	1.2
91.05467	2.6
93.07032	5.4
95.04928	1.6
95.08591	14.5
97.06510	4.4
97.10162	8.9
99.04477	5.6
105.07027	5.1
107.04984	2.0
107.08579	6.3
109.06503	15.3
109.10130	9.7
111.08067	3.1
111.11681	5.9
113.00043	2.6
115.03934	1.4
117.07014	1.1
119.08575	4.2
121.06500	1.5
121.10129	3.6
123.08047	11.3
123.11699	3.6
125.05979	14.6
125.09629	2.6
125.13276	1.9
127.06596	2.8
127.07530	46.7
133.10112	2.7
135.08064	2.7
135.11685	3.4
137.05925	6.5
137.09558	2.5
137.13260	1.8
139.07518	100.0
140.07872	1.8
141.52118	1.1
145.10117	1.4
147.11606	3.0
149.05951	3.4
149.09651	2.5
151.07492	7.6
151.11159	1.4
153.09074	2.5
161.09637	1.7
161.13290	2.5
163.07510	2.6
163.14815	1.6
165.09122	3.8
165.12733	1.1
167.07014	5.6
169.02562	3.4
175.14847	2.0
177.09085	12.2
177.12737	1.7
177.42506	1.5
179.10689	2.4
189.12746	2.4
191.14322	1.5
193.12163	1.3
195.94102	1.2
239.32779	1.2
245.06058	1.2
249.14696	1.6
256.74390	1.2
301.28995	3.3
319.29959	11.7
347.33026	17.6
355.30234	1.3
373.30997	4.2
399.36176	4.0
403.35638	2.8
417.37177	18.0
427.35577	4.4
445.36746	67.1
446.37183	4.1
463.37793	71.6
464.38168	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	462.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.05029	0.9
57.03420	0.4
60.04515	0.8
61.02917	0.8
69.03415	1.1
69.07046	0.4
69.51023	0.3
70.02943	0.5
70.06580	10.3
70.74011	0.9
70.74384	0.7
72.08150	4.7
73.08471	0.5
74.06059	0.8
81.03394	1.1
82.06608	0.4
84.04490	2.9
84.08127	5.5
85.02888	5.3
85.82163	0.4
86.09694	8.2
87.04449	1.6
87.05540	0.6
87.10031	0.7
89.06015	73.1
90.14144	0.4
91.05448	1.0
97.02879	1.6
98.06030	0.6
101.07155	0.6
102.05534	1.3
104.05332	0.5
106.74287	0.4
107.07067	2.2
109.02892	0.6
109.10123	0.4
110.07143	1.7
110.80750	0.4
112.08699	0.5
116.07085	0.9
119.04932	1.2
120.08089	3.5
121.00995	0.4
121.02814	0.4
127.08658	0.7
129.10214	3.8
130.04987	1.1
130.06607	0.5
130.08632	1.0
133.08580	33.4
136.07552	0.9
141.10158	0.5
143.08235	0.5
147.04391	3.2
147.07607	1.2
151.09660	0.8
156.26718	0.4
159.09137	1.1
169.09659	0.5
177.11195	12.4
187.10706	0.4
195.12296	2.4
200.13693	0.4
201.08476	0.4
201.12303	0.6
213.09082	1.1
221.13805	1.0
239.14923	2.2
256.19009	0.7
260.15924	0.7
283.17465	100.0
284.17734	1.2
301.07153	0.7
361.67651	0.6
462.14111	0.6
462.25439	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1227
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.03935	0.3
55.01848	0.5
55.05482	0.7
56.31115	0.2
59.20670	0.2
67.05463	1.0
69.03374	0.6
69.07057	1.2
70.06583	3.1
71.04939	0.3
72.08114	0.6
73.02904	0.3
75.63499	0.2
79.05450	0.9
81.07050	1.4
81.69772	0.2
82.06536	0.3
83.04942	0.3
83.08562	0.3
84.04459	0.3
84.08089	0.7
85.02905	0.5
85.06470	0.3
86.09222	0.3
86.09690	4.9
87.10026	0.3
91.05448	0.7
93.07031	1.9
95.04929	0.6
95.08566	0.9
96.08033	0.3
97.02869	0.2
97.06478	0.7
99.00764	0.3
99.04454	0.2
103.05418	0.3
105.06987	1.1
107.08556	0.7
108.08098	0.3
109.06477	0.5
109.10117	0.4
111.08036	0.4
117.06989	0.2
119.04935	0.3
119.08546	0.4
119.13804	0.2
120.07227	0.3
120.08082	5.0
121.02810	0.7
121.06467	0.7
121.08390	0.2
121.10127	0.3
123.04387	1.0
123.08037	0.3
123.11666	0.4
125.05989	0.4
127.00247	0.2
127.03873	0.2
129.01804	0.2
129.06950	0.3
129.10236	0.5
131.08527	0.3
133.10101	0.4
135.08031	0.4
139.07481	0.7
147.11671	1.3
149.05972	0.3
157.10071	0.3
160.18422	0.3
165.12712	0.8
168.00531	3.1
169.12210	0.3
171.11552	0.2
172.60257	0.2
173.12817	0.4
175.11188	0.8
181.89301	0.2
185.05583	0.2
186.01556	3.6
189.12614	0.4
189.94421	0.2
193.12233	1.6
199.11079	0.5
207.13820	0.3
211.13264	1.6
217.03346	0.6
217.12094	1.0
220.16946	0.9
221.17285	0.3
222.18425	1.0
227.10358	0.2
229.04831	0.3
229.14233	0.3
229.79784	0.3
229.81812	0.3
230.07758	0.3
232.43393	0.2
233.16548	1.0
235.04340	0.3
235.13290	1.3
238.17926	1.8
238.68106	0.3
239.18747	5.2
239.68941	5.2
240.19531	5.9
240.69814	0.3
241.19832	0.9
253.14238	1.0
256.19092	0.5
258.05194	5.8
285.03976	0.3
286.04672	55.3
287.05045	1.3
291.70404	0.3
301.07016	100.0
302.07339	1.9
338.49713	0.2
367.13812	0.3
426.91003	0.3
462.73294	0.3
463.12241	0.6
463.23578	1.4
463.73907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66694	0.7
53.05136	0.6
55.01866	1.3
55.05487	3.4
56.05028	5.8
57.03416	1.0
58.06578	1.5
60.04515	7.2
61.01136	1.7
69.03408	2.1
69.07058	6.3
69.94289	4.1
70.02930	2.0
70.06582	51.8
71.06911	2.5
72.08144	16.3
73.04015	1.3
73.08477	1.2
74.06072	6.2
74.09698	1.7
79.05470	1.2
81.03384	1.1
81.07025	1.7
83.04935	0.8
83.06069	1.4
83.08605	0.8
84.04494	13.1
84.08128	12.8
85.02887	2.7
85.08434	1.0
86.09692	67.5
87.04423	0.8
87.05577	1.1
87.10012	8.7
88.03980	2.2
91.05428	3.7
91.14871	0.7
93.07033	1.6
95.04949	1.0
96.04431	0.8
96.08109	5.0
97.02836	1.0
98.06013	1.0
98.09669	1.9
98.21467	1.0
101.07113	2.5
102.05527	4.9
104.05316	4.2
105.06997	1.7
107.08562	0.8
108.08064	0.8
109.02831	0.7
109.06499	1.1
110.06044	0.9
110.07146	7.1
110.09658	1.2
112.08715	1.7
113.07105	1.5
115.05423	2.1
115.08691	1.7
116.07043	2.3
117.05709	1.8
117.07006	1.3
118.06503	0.9
119.04961	1.4
119.08577	1.0
120.06595	0.7
120.08087	15.8
126.09136	1.4
127.08630	4.2
127.71899	0.6
128.10663	0.9
129.10233	10.1
130.04961	2.6
130.06503	32.7
130.08583	1.5
132.08073	22.2
133.06369	0.8
135.08043	0.9
136.06143	1.5
136.07555	4.1
138.09088	1.3
140.08167	0.8
141.10217	9.7
142.06447	4.0
143.11781	5.0
144.08060	33.2
145.06369	1.1
145.07588	14.0
145.09827	1.4
146.05975	0.8
147.04430	1.5
147.07693	0.9
148.06029	1.7
150.05800	1.5
153.01851	0.9
155.08127	2.3
156.07954	1.3
157.07657	3.6
158.08295	0.9
158.09625	1.3
159.09151	58.3
160.07556	2.2
161.09438	1.0
163.07091	4.5
166.08508	0.9
169.09798	0.9
170.05986	21.9
170.09370	1.1
173.09235	1.2
173.12857	3.9
174.13084	1.1
175.08849	0.9
182.09579	1.3
183.09108	2.0
183.14888	0.9
184.11282	2.0
186.12650	1.1
187.08643	25.5
187.10730	7.4
187.14381	2.8
188.14651	1.2
195.08670	1.0
196.11227	2.6
197.08035	1.0
197.12828	2.1
198.12810	3.8
199.10768	1.4
200.10324	0.9
200.14322	17.9
201.08781	1.0
201.12294	5.0
201.13916	1.3
202.12624	2.0
210.12759	6.0
212.14240	1.4
213.08917	2.2
213.10753	0.7
213.13782	1.2
215.13884	3.3
216.14177	2.3
217.13503	0.9
219.13354	1.6
220.17055	1.4
226.11926	0.9
227.15388	12.4
229.15274	0.9
238.12209	1.9
238.17888	2.2
243.13344	1.8
244.13661	2.4
247.12988	1.4
254.12819	1.8
255.14885	21.9
256.19009	1.1
260.10559	1.1
261.14471	1.7
262.14764	2.0
263.14163	2.1
272.17529	100.0
273.18015	1.6
276.15707	1.7
282.12280	5.3
283.14355	4.8
287.31219	0.7
293.07971	1.1
298.14392	0.8
299.70056	1.1
300.17038	33.6
301.06860	1.3
301.17386	0.8
313.18771	1.0
317.06500	0.7
343.04419	7.7
352.16449	1.1
370.17520	2.7
387.20062	3.3
427.19934	1.2
444.22302	2.9
445.20853	3.3
462.17413	1.3
462.23416	9.8
462.72491	1.2
463.08429	1.2
463.17194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05497	0.6
56.05025	2.1
60.04524	4.1
60.05647	0.4
66.92003	0.4
69.03426	0.6
69.07065	0.5
69.95869	1.1
69.96284	1.7
70.06579	10.5
71.06902	0.5
72.08145	5.6
74.06064	3.7
79.05460	0.7
83.06087	1.0
84.04490	5.0
84.08135	9.5
85.02887	0.8
85.08474	0.7
86.09694	16.2
87.05570	1.9
87.10020	1.0
88.03958	1.0
88.07619	0.4
91.05397	2.9
93.07029	1.1
95.04967	0.5
96.04423	0.4
97.02869	0.7
98.02374	0.5
98.06016	0.7
98.21478	0.8
101.07116	0.7
102.05523	1.7
103.05439	6.1
103.44236	0.4
107.04928	1.6
108.08076	0.6
110.07150	2.0
111.09219	0.4
112.03922	0.6
112.07674	0.5
112.08712	1.1
113.07127	1.2
115.05054	1.3
115.08674	0.8
116.07073	1.0
119.04932	0.9
120.08089	100.0
121.08425	2.0
123.04440	0.7
126.05515	0.8
129.06586	0.8
129.10220	6.3
130.04984	1.7
130.08647	1.0
131.04938	2.8
133.06078	1.0
135.04384	0.6
135.10124	0.4
136.07541	0.9
141.06577	1.3
145.02847	0.6
147.04375	1.3
147.07629	1.7
147.11293	0.9
148.06076	0.7
149.05960	2.1
155.08167	0.6
155.11755	0.5
156.07654	0.8
157.06041	0.9
159.07640	0.7
159.09135	0.4
163.03870	3.8
166.08618	52.9
167.09024	0.9
171.07616	0.8
173.09268	0.6
173.12863	1.1
175.11935	0.7
181.06128	0.4
185.05605	0.6
189.08649	0.6
199.07104	0.6
200.13986	1.4
201.12306	0.9
202.08241	1.5
212.10223	0.6
216.09811	1.4
217.08078	0.9
226.08154	0.6
227.11395	0.5
229.11961	0.6
230.11259	0.6
235.09210	0.5
246.14430	0.7
256.19012	1.2
261.14420	0.8
283.17603	1.2
300.05423	0.5
311.11230	0.6
315.16736	1.2
315.20398	0.4
329.18039	0.5
346.66922	0.5
359.02893	0.6
426.19635	0.5
455.99771	0.4
462.25183	5.3
462.74701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.2
57.07065	1.8
59.04984	1.2
67.05494	5.4
69.03399	0.9
69.07067	4.6
70.06585	6.9
71.04976	1.2
71.08625	0.9
72.08128	1.5
76.23167	0.7
79.05479	2.4
81.03397	1.5
81.06589	0.9
81.07040	11.4
83.04970	2.4
83.08607	1.0
84.04471	1.5
84.08138	2.8
85.02863	0.8
85.06522	0.9
86.09677	2.9
88.70541	0.8
89.05969	1.6
91.05475	3.8
93.06995	3.5
95.04931	1.8
95.08587	7.2
97.02851	1.9
97.06530	1.5
98.83397	0.7
99.04437	1.2
105.06995	1.5
107.08568	3.3
108.08094	1.5
109.02839	1.7
109.10142	7.1
110.28828	0.7
117.06985	1.1
119.08575	4.1
120.08069	1.6
121.06424	0.9
121.10088	2.9
122.07232	1.1
123.04385	0.9
123.11684	2.0
127.03908	1.3
129.06963	1.0
129.10208	1.5
131.08607	0.8
133.08569	0.9
133.10127	1.6
135.11678	1.7
137.05971	1.0
137.09589	11.0
137.13220	2.1
145.10088	2.3
147.11673	1.4
149.09618	2.3
149.13187	1.0
159.11702	1.0
165.09091	100.0
166.09442	1.4
167.56894	0.7
173.09648	1.0
173.13225	0.7
175.11096	0.9
179.08551	2.5
187.47882	0.7
191.10672	0.8
193.08601	0.9
205.12166	3.4
220.16986	2.9
222.18541	0.8
224.16374	1.0
238.17992	4.1
240.19553	3.0
250.37686	0.8
272.42581	0.9
443.28152	1.3
443.35217	1.2
461.28244	1.4
461.33841	3.0
475.35391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
50.10893	4.6
55.05500	26.8
57.07068	66.7
67.05493	20.7
69.07061	56.0
71.04955	6.5
71.08624	46.8
71.75793	4.2
79.05496	11.7
81.07047	100.0
83.04936	7.3
83.08610	40.5
85.10161	31.6
91.05474	6.9
93.07034	11.1
95.08602	68.2
97.10152	30.8
99.04425	13.5
105.07023	13.8
107.08576	14.7
109.06481	17.0
109.10150	39.9
111.04433	9.4
111.08048	5.9
111.11692	22.0
119.08582	9.3
121.10120	16.6
123.08034	10.0
123.11706	22.9
125.05986	8.0
127.03911	26.2
131.08536	14.1
133.10152	6.0
135.08078	6.7
135.11618	7.7
137.05962	91.3
137.13213	8.2
143.08443	5.5
145.10089	15.9
149.09666	6.8
149.13210	6.2
151.07518	29.1
151.14865	6.7
157.10074	6.9
158.72763	4.7
159.11658	41.2
161.13310	5.1
163.14801	6.6
165.09027	10.4
167.07069	9.7
169.10155	9.0
172.08794	9.0
173.09590	73.0
173.13245	7.4
174.50272	4.9
175.11139	8.6
177.09105	15.1
177.16319	6.0
179.06885	5.7
187.11169	66.1
191.10637	15.4
193.08633	10.0
201.12697	6.6
205.12175	21.0
215.10651	8.8
215.14436	5.5
219.13707	10.1
229.12157	7.4
243.13892	7.5
277.28799	10.4
335.32721	9.0
383.33105	73.6
397.34396	25.3
401.34021	68.9
419.34698	6.1
425.33923	22.4
443.35175	37.8
461.35596	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	461.362
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
51.49001	1.9
53.03947	2.5
55.01856	6.2
55.05510	31.4
57.07072	24.4
67.05495	24.0
69.06720	3.4
69.07063	52.9
70.00781	11.2
71.04983	35.5
71.08623	16.1
74.36002	2.0
79.05476	10.9
79.07500	1.9
81.07048	73.1
83.08607	44.6
85.10157	8.5
87.12151	2.1
91.05466	4.1
93.07032	11.4
95.04968	3.5
95.08598	58.9
96.28300	2.3
97.06487	2.8
97.10161	26.0
99.04437	16.4
105.07021	4.0
107.08575	12.7
109.06511	17.7
109.10140	42.5
111.08078	2.7
111.11705	20.2
113.05963	2.6
114.81301	2.0
119.08567	3.1
121.10130	15.2
123.11700	23.1
125.05979	100.0
125.13268	11.2
126.06324	2.7
127.03909	41.5
133.10089	5.0
135.08037	4.4
135.11681	9.3
137.05962	96.6
137.13232	6.9
138.98511	1.9
139.07497	2.9
145.04919	4.3
145.10133	4.0
149.05948	2.8
149.13246	8.6
151.07507	9.0
151.14777	5.0
157.10118	4.5
159.11681	4.5
161.09564	3.0
163.14813	7.0
165.09111	3.7
165.16364	4.3
167.07030	47.1
171.11667	4.5
175.11153	5.8
175.14790	2.5
177.16479	4.7
179.07068	9.9
179.17921	2.5
187.11269	2.8
189.12762	3.9
191.17917	2.8
197.13303	2.5
205.12268	3.0
213.12723	2.9
215.14221	2.4
219.13789	5.0
239.17946	2.3
240.72142	1.9
261.25815	3.0
275.27698	2.2
317.32040	9.2
343.26019	2.4
383.33234	6.2
397.34592	4.9
401.34116	15.3
407.32904	3.3
425.34094	7.0
443.35181	17.0
461.35764	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12897	4.1
55.05508	25.2
59.04983	7.5
67.05494	14.9
69.07039	13.0
70.06576	9.6
71.04989	7.4
71.70033	6.5
72.19930	3.9
79.05472	10.6
81.07040	19.0
83.04948	8.2
83.08595	8.4
84.04497	39.6
84.08118	8.3
85.06525	15.2
86.09689	6.1
89.24925	3.9
91.05474	8.7
93.07027	20.3
95.04942	4.6
95.08591	33.6
99.04443	6.1
99.08012	3.9
101.05994	13.0
105.07033	18.2
107.04900	3.9
107.08591	19.7
109.06500	8.7
109.10126	8.9
111.08061	11.0
117.06956	7.1
119.08553	19.0
120.08076	4.1
121.10124	26.2
123.08042	9.8
127.07574	9.1
129.07007	8.2
130.05005	12.3
131.08527	7.8
133.10132	9.9
135.11676	4.2
141.06993	6.3
143.08553	14.8
145.08739	3.6
145.10120	18.6
147.08028	4.8
147.11635	9.6
155.08580	9.2
157.10144	16.8
159.11719	13.7
161.09622	3.6
161.13257	6.1
163.11264	4.7
169.10117	10.8
170.10899	3.9
171.11682	10.9
173.13206	6.9
181.10071	12.5
181.12169	5.8
183.11696	10.2
185.13260	5.4
193.10077	4.1
195.11705	11.3
196.12515	4.4
197.13210	7.9
199.14812	21.0
201.12761	4.4
206.15529	3.9
207.06432	4.1
207.11670	8.7
209.13304	12.4
211.14864	5.8
223.14751	10.4
225.16272	4.6
227.14290	23.0
235.14766	8.5
238.18002	8.4
239.14265	5.1
240.19557	7.1
241.15816	7.7
252.19087	4.1
253.15845	10.1
267.17343	5.5
281.19022	4.5
295.20432	6.5
297.18500	6.9
306.19952	4.7
312.20746	5.7
313.21768	5.2
335.23657	21.9
359.23752	8.8
367.22513	4.9
377.24631	38.7
379.26181	5.8
389.24567	12.7
395.25809	100.0
407.25647	22.9
413.26889	61.0
425.26810	59.8
431.27863	8.1
442.25134	4.2
443.28064	22.7
461.33755	13.6
464.56598	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	461.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90103	2.1
53.03942	14.4
55.01865	14.8
55.05502	26.7
57.03416	9.0
59.04989	4.1
60.53443	2.6
61.02916	5.7
67.05498	13.3
68.99776	5.6
69.03422	64.5
69.07060	50.0
70.06586	21.4
70.97218	2.4
70.97576	6.8
71.04991	14.0
71.08622	2.6
72.08141	9.9
73.02911	15.2
79.05484	7.0
81.03407	61.7
81.07041	30.5
83.04990	12.8
83.08594	11.2
84.04455	3.0
84.08119	9.5
85.02897	100.0
85.06535	18.1
86.09684	10.4
87.00820	34.9
91.05453	5.6
93.07050	15.4
95.04984	2.9
95.08590	36.8
97.02882	32.1
97.06512	8.4
97.10155	14.1
99.04447	18.8
99.08081	28.6
105.01850	28.8
105.07018	5.7
107.04922	3.3
107.08583	25.3
109.02863	55.4
109.10162	15.8
111.08043	5.2
111.11685	10.5
113.09631	9.7
115.03900	4.5
117.01832	7.9
119.08550	3.5
120.08099	4.9
121.06522	2.4
121.10136	29.7
123.08012	2.7
123.11684	9.6
125.09589	8.6
127.03905	97.7
129.01802	5.1
133.10124	5.0
133.20590	2.1
135.11671	15.9
136.07533	2.4
137.05933	2.3
137.13225	15.7
137.67084	2.4
139.11174	6.9
143.06946	2.5
145.04933	39.3
147.02876	3.9
149.13254	5.4
151.14761	5.4
152.25179	2.6
153.12724	19.1
159.02904	32.4
159.11699	3.8
177.04085	2.5
177.16365	88.2
195.17433	84.7
213.03906	5.1
213.18471	82.2
215.12183	5.7
220.14778	2.5
220.16861	5.5
222.18387	2.6
231.04985	20.8
238.18007	15.4
239.18677	3.0
240.19530	7.5
401.58258	2.5
421.76718	2.5
460.77817	3.5
461.14902	2.8
461.17212	2.6
461.23660	26.5
461.33578	4.2
461.74081	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	461.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05500	1.3
55.58507	0.3
56.05028	4.5
57.03422	0.4
58.06586	0.8
59.35267	0.3
60.04524	2.7
60.05629	0.9
61.01133	1.5
61.98171	0.3
67.05493	0.3
68.05016	0.3
68.49878	0.3
69.03419	0.5
69.07056	2.3
70.02952	0.5
70.06583	22.4
70.39777	0.8
70.40171	0.7
71.04996	0.4
71.06911	1.0
71.07281	0.3
72.08146	12.5
73.08468	0.6
74.06077	3.8
81.03403	0.4
81.07055	0.5
83.06089	0.9
84.04491	14.4
84.07674	0.5
84.08132	5.4
84.08604	0.5
84.10728	0.3
85.02887	1.6
85.04842	0.3
85.08486	0.3
86.09693	100.0
87.05583	1.2
87.10020	2.1
88.03975	1.3
91.05470	1.5
93.07050	0.4
95.04964	0.7
95.08599	0.4
96.04462	0.6
97.02871	0.7
98.06044	0.9
98.09679	0.4
101.07139	2.3
102.05531	10.4
104.05325	2.8
105.07027	0.4
106.05029	0.9
107.04939	0.8
107.08546	0.3
110.06044	0.5
110.07152	2.7
111.07517	0.4
112.07571	0.4
112.08720	0.9
113.07111	1.2
114.05558	0.4
115.08685	1.3
116.07069	1.4
117.06967	0.3
119.04951	0.5
119.08452	0.3
120.06541	0.4
120.08087	4.1
123.04483	0.5
123.08094	0.3
124.07619	0.4
124.11223	0.4
125.07118	0.3
126.05523	0.8
127.03912	0.7
127.04976	0.3
127.08664	1.0
128.07097	0.3
129.06575	2.2
129.10223	3.1
130.05013	1.1
130.06535	0.8
130.08618	0.4
130.09735	0.3
131.08157	0.3
132.08122	0.5
132.10188	1.7
133.06122	0.3
136.06210	0.3
136.07568	1.7
137.05960	0.4
140.07068	0.8
141.06569	2.1
141.10210	0.6
142.08640	0.3
142.12279	0.6
143.11810	0.5
144.06575	0.8
145.09995	0.4
146.06288	0.7
147.04398	0.5
147.07658	1.1
148.06056	0.7
149.09546	0.3
152.10687	1.3
153.06503	0.4
155.08153	0.7
156.11351	0.9
157.07574	3.6
158.09296	1.0
159.07736	0.6
159.09082	0.6
159.11310	0.6
161.09239	0.5
162.07610	1.0
165.09111	0.3
167.11751	0.3
168.04802	0.4
168.06596	0.3
169.13275	0.4
170.11702	2.5
171.11308	0.6
173.09285	0.3
173.12848	2.3
175.11899	1.9
181.09770	0.4
183.07790	0.4
183.11313	0.9
183.14931	0.7
185.09227	0.4
187.10869	1.1
187.14398	4.6
188.14784	0.4
189.08792	0.4
197.12837	5.7
197.14659	0.3
199.07211	0.3
199.10754	0.6
199.18011	0.8
200.14034	0.4
201.12309	3.8
202.12630	0.4
203.10292	1.2
213.12392	0.4
215.13879	20.6
216.14172	0.6
217.08160	0.7
217.11841	0.3
217.13654	0.5
217.15500	0.5
219.13383	14.0
220.17050	0.5
225.12306	2.4
228.10861	0.3
228.13313	0.4
229.11836	0.9
231.09720	1.9
231.17062	1.2
233.14952	0.8
238.18077	0.7
243.13377	18.2
244.13757	0.6
245.07721	0.7
247.12814	2.9
253.08652	0.4
254.12904	1.4
261.14377	1.5
271.17755	0.9
282.12280	4.2
298.69266	0.3
299.09207	0.7
299.16830	0.4
299.19995	1.3
300.13416	0.3
310.21231	1.8
312.15469	0.8
314.20810	0.6
316.38998	0.3
330.16489	0.8
332.21643	0.5
338.20740	2.5
356.21790	2.8
371.72589	0.3
380.22565	0.5
425.23737	1.7
443.24905	0.9
461.14117	0.8
461.25436	13.6
462.24677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31163	0.8
51.02143	0.7
53.03926	2.7
54.17187	0.8
55.01855	3.1
55.05510	4.4
56.05022	7.6
57.03417	2.6
59.05003	0.8
59.84088	0.8
60.04520	5.4
61.01136	1.7
61.02906	2.8
69.03426	10.7
69.07039	2.5
70.02946	1.5
70.06586	41.8
71.04973	2.2
71.06906	3.0
71.64266	1.4
72.08145	39.4
73.02884	2.7
73.08473	2.3
73.12502	0.8
74.06069	9.6
79.05465	3.7
79.69179	0.8
81.03400	7.7
83.06082	2.9
84.03985	1.0
84.04491	21.9
84.08135	32.3
85.02894	25.4
85.04837	2.2
85.08450	3.7
86.06037	1.2
86.09696	51.2
87.00820	9.2
87.04445	0.9
87.05557	3.1
87.10011	5.2
88.03956	3.4
91.05468	3.4
95.04933	2.5
96.22844	0.9
96.44895	0.8
97.02879	10.8
97.06535	0.8
98.06055	1.7
99.04427	4.2
100.07577	1.2
101.07110	2.9
102.05524	14.1
104.05312	2.1
105.01855	6.7
106.04986	1.1
107.04942	29.0
109.02869	7.4
109.06426	1.1
110.06020	1.2
110.07153	10.5
110.09733	0.9
112.07574	1.3
112.08710	1.8
113.07111	1.2
114.09145	2.2
115.08656	1.6
116.07058	3.4
119.04920	1.9
120.06593	1.8
120.08089	3.2
121.02853	1.3
123.04423	6.6
125.02269	1.6
126.05498	0.9
127.03906	18.1
127.08640	1.5
129.01804	0.9
129.06551	1.8
129.10223	24.0
129.11134	1.8
130.04971	5.2
130.08611	1.4
130.10596	2.4
132.04411	1.0
133.06091	1.9
135.04427	8.9
136.07561	6.7
137.05978	1.0
137.08073	1.0
139.08618	1.5
140.04666	42.3
141.06548	1.6
144.06526	2.2
144.10075	1.3
145.03966	2.2
145.04935	7.7
146.06393	0.9
147.04413	4.6
147.06543	0.8
147.07611	5.6
147.11246	1.2
148.06007	3.0
151.08659	1.0
155.07014	42.1
155.08136	2.6
155.11769	0.9
156.07535	1.2
159.02888	6.1
159.07578	0.8
162.07581	4.3
163.03882	34.4
163.05249	1.7
167.06981	9.8
167.08205	1.0
169.13464	1.1
171.07709	1.0
173.08034	3.9
173.09241	3.2
173.12836	4.0
174.13237	1.5
177.05466	1.5
183.11276	2.1
184.85587	0.8
185.09126	1.1
187.06963	1.0
187.10823	1.0
187.14355	2.8
195.06544	6.5
197.12827	2.4
201.08716	2.4
201.12340	6.0
203.13969	1.1
213.07552	100.0
214.07912	1.5
215.10133	1.0
215.13885	5.5
217.08095	1.1
219.13420	1.7
223.15466	1.0
228.13301	1.1
229.11769	3.2
230.15036	1.9
231.04892	2.4
231.09660	1.6
233.11250	1.2
233.14877	1.8
234.10966	1.2
243.13388	3.1
245.11299	1.3
246.14410	1.1
249.10728	2.2
260.15955	1.5
261.14212	4.2
267.06549	1.2
275.21692	1.2
300.15393	1.6
302.13397	1.4
309.07404	1.4
327.08560	1.2
443.20407	1.1
460.31677	1.7
461.14969	2.8
461.27258	4.8
461.73361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05499	1.5
56.05021	3.7
57.03412	0.6
57.05790	0.4
58.06590	2.0
59.04997	0.8
60.04512	1.9
60.05618	0.3
61.01133	0.6
65.26734	0.3
67.05486	0.3
68.05033	0.4
69.03428	0.9
69.07053	6.3
70.02951	0.5
70.06580	20.3
71.04982	0.4
71.06904	0.8
71.49927	0.8
72.08143	11.4
73.06543	0.6
73.08463	0.7
74.06065	12.2
75.05589	0.4
81.03404	0.7
83.06092	2.5
84.04488	12.5
84.08132	10.5
85.02887	1.8
86.06075	0.7
86.09691	100.0
87.04475	0.4
87.05576	2.8
87.09534	0.4
87.09996	1.7
88.03994	1.1
91.05417	0.6
93.07011	0.8
94.06559	0.4
95.04958	0.7
96.04496	1.3
96.08131	0.5
97.02872	1.0
98.02426	0.5
98.09677	0.5
99.04424	0.5
99.05543	0.3
101.07123	3.9
102.05522	2.1
104.05324	1.1
105.06998	0.4
106.05000	0.4
107.04941	0.5
108.08118	0.5
109.02868	0.7
110.07125	3.0
112.07562	0.6
112.08699	0.5
112.11209	1.7
113.07102	3.2
115.05065	0.9
115.08685	0.8
116.07066	0.9
119.04950	0.5
120.06715	0.3
120.08077	6.8
121.08381	0.4
121.10094	0.3
122.09652	0.4
123.08042	0.4
124.11227	0.7
125.10661	0.3
126.05521	0.4
126.09159	0.4
127.03883	0.5
127.08661	1.7
128.10712	0.5
129.06551	1.8
129.10211	7.8
130.04991	4.8
130.06491	0.7
131.08093	0.4
131.11833	0.8
132.08073	0.6
133.06070	1.9
134.06004	0.4
135.04431	0.4
136.07553	2.4
136.08516	0.4
137.05968	0.4
138.09187	0.4
140.07057	0.6
141.05624	0.3
141.06575	1.9
141.10219	1.0
141.13879	1.0
142.12271	1.3
143.11749	3.6
144.06541	0.5
145.02757	0.5
145.04938	0.5
147.04420	1.9
147.07582	5.1
147.11234	0.4
148.05981	0.5
148.07655	0.5
149.09602	0.4
152.10693	1.4
153.06572	0.4
155.07037	0.4
155.08145	1.1
157.09735	1.0
157.13338	0.8
159.07637	2.4
162.07578	0.5
163.03888	1.2
164.06978	0.6
165.07516	0.5
166.07281	0.7
166.08572	0.6
167.08191	0.5
169.13335	4.4
171.11266	6.5
173.09213	0.7
173.12837	3.3
177.05469	0.7
177.08948	0.5
178.06136	0.3
181.09676	0.4
183.11285	0.6
185.05524	0.4
185.09140	0.4
185.12947	0.5
185.16483	0.6
186.08713	0.5
186.12312	0.4
187.10828	0.5
187.14384	10.1
187.15979	0.7
189.12306	6.4
194.08112	0.9
196.14392	2.2
197.12827	6.0
199.10812	0.5
199.14488	0.4
201.12283	2.1
213.07573	1.0
213.11111	0.4
214.15384	2.0
215.13872	5.5
216.13594	0.4
217.09834	0.4
217.11853	1.0
219.13416	1.1
220.17003	0.9
224.13962	1.2
225.12381	1.3
226.15433	4.8
227.13896	0.7
227.17616	0.6
228.13477	1.2
229.09450	0.7
229.11758	0.7
230.07794	0.5
238.18065	1.0
242.14948	5.0
243.13440	1.0
244.16618	0.6
246.14418	3.6
247.10973	0.9
247.13121	0.6
248.13194	0.9
254.14937	7.0
256.13080	0.6
256.19052	3.9
257.19431	0.4
260.15997	2.5
261.14447	0.7
272.16013	11.5
275.16068	0.6
281.15921	0.6
290.17053	2.4
304.13235	1.2
310.21252	1.4
313.22745	0.7
328.22424	0.5
329.18314	1.0
338.20712	0.8
339.23828	4.7
341.21881	0.8
343.23074	0.4
347.19125	1.5
355.23477	1.3
357.24893	4.4
367.23358	5.7
377.19437	0.4
385.24460	2.0
398.24127	0.4
432.78714	0.3
442.21411	0.3
442.26602	6.5
443.25348	0.4
460.27081	5.9
461.15598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
56.05022	3.3
58.72878	0.7
60.04516	2.2
69.03436	0.8
69.07069	0.6
70.06197	1.0
70.06583	20.5
71.04967	0.7
71.06908	2.2
71.60068	0.7
72.08144	17.9
74.06077	1.7
82.06563	0.9
83.06059	0.7
84.03980	1.1
84.04493	19.5
84.08132	10.6
85.02879	1.7
86.06083	0.9
86.09695	100.0
87.05592	1.5
87.10033	1.4
88.03995	1.6
91.05461	1.7
101.07138	3.1
102.05526	23.9
104.05312	1.1
106.06506	0.7
109.84319	0.6
110.06033	3.6
110.07178	1.6
110.18305	0.5
112.08691	1.1
113.07117	0.6
114.05518	1.4
115.08702	1.9
116.07071	1.4
119.04910	0.7
120.06571	0.9
120.08106	0.9
125.07101	1.2
127.08674	2.3
128.07051	2.4
129.10226	10.0
130.04999	1.7
130.08691	0.6
132.10170	0.9
133.06100	1.1
136.07581	1.9
143.08170	1.1
143.11777	0.8
147.04370	1.6
147.07643	1.7
148.06053	1.0
151.07506	0.7
153.06595	0.6
155.08139	20.2
156.06476	1.0
157.09705	1.1
157.13348	13.5
159.07649	0.9
163.03867	1.1
167.08139	0.7
171.11244	0.9
173.09206	31.1
183.07643	11.3
183.14912	0.8
184.15138	0.7
185.09235	1.4
185.12836	10.1
185.14371	0.8
186.12402	0.8
187.10712	0.9
189.12317	12.4
189.13969	0.9
194.08139	0.6
197.12784	0.6
201.08685	24.2
201.12238	2.6
203.10315	1.0
203.13911	1.4
212.51482	0.5
213.08896	0.8
215.13872	0.7
219.13313	0.6
226.11844	7.2
229.11870	2.4
232.12897	1.2
234.10789	0.7
242.11383	2.1
242.15005	0.9
246.14685	0.6
254.11328	7.0
256.16495	1.2
260.16049	7.2
260.18753	0.9
272.12375	36.2
275.16238	0.7
286.13840	1.0
299.13922	1.4
313.18915	0.8
327.17184	0.8
339.20197	9.0
340.20691	0.6
341.18192	0.6
345.98340	0.5
352.16882	0.6
357.21323	7.3
367.19748	4.6
378.17960	0.7
385.20840	9.2
442.23221	0.9
460.22690	3.7
460.27475	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	459.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
54.23734	0.2
55.05503	0.8
56.05014	2.1
57.03429	0.5
57.05793	0.4
58.06593	0.4
59.04976	0.3
67.05486	0.5
67.48503	0.3
69.03419	1.2
69.07057	6.3
70.06579	2.7
71.31419	0.8
72.08126	1.3
74.06071	7.2
76.02210	0.5
77.08775	0.2
78.01791	0.4
79.05473	0.6
81.03410	1.1
81.07043	0.9
84.04485	1.3
84.07678	0.3
84.08113	1.7
85.02876	1.6
86.03253	0.5
86.09693	100.0
87.00811	0.9
87.10011	0.9
91.05460	2.0
93.07044	0.6
95.04960	0.3
95.08591	0.7
97.02882	0.4
97.06504	0.3
97.07643	0.4
98.06053	1.1
99.04465	0.6
99.05609	0.3
102.05546	0.8
105.01859	0.3
105.07001	0.7
107.08580	0.9
108.08117	0.5
108.08894	0.4
109.02885	0.7
109.06493	0.7
109.10130	0.8
110.03208	0.3
113.09656	0.3
116.07101	1.2
119.08527	0.5
120.08092	0.7
121.10123	1.1
122.10472	0.5
123.08017	0.5
123.11705	0.4
126.05492	6.7
126.06370	0.4
127.03905	0.9
129.10236	0.5
130.06551	0.3
130.08598	0.3
131.08499	0.3
132.10158	2.5
133.10132	0.8
135.08041	0.4
136.07521	0.4
137.09583	1.3
138.09929	0.4
141.10188	0.4
143.08510	0.3
144.06528	0.6
145.04910	0.3
147.04312	0.3
149.13298	0.5
150.09952	0.3
150.13631	0.3
150.21016	0.2
151.11169	3.0
152.11456	2.2
153.06563	2.9
153.11781	0.8
155.08168	0.4
157.13341	6.1
159.11658	0.3
165.12727	1.9
166.13116	1.4
167.13416	0.7
169.09808	0.5
173.09169	0.4
181.04362	0.4
185.12843	4.2
191.14394	0.4
193.15796	0.5
197.09178	9.1
199.07028	0.3
201.08728	0.5
201.12404	0.3
203.13857	2.5
209.15323	6.8
210.15692	4.7
211.15987	3.6
215.10234	4.7
215.12082	0.3
215.14041	0.4
216.10690	0.3
220.16982	0.6
227.04822	0.3
238.17955	1.6
239.13901	6.0
239.18655	0.5
240.14174	0.3
240.19646	1.0
245.18593	4.1
257.14908	5.0
259.20154	0.6
282.18100	0.6
300.19141	7.4
301.19461	0.4
316.22382	1.0
328.18631	7.5
356.72244	0.3
397.24399	0.7
459.23083	0.5
459.34930	0.3
459.77277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45852	0.4
55.01866	0.6
55.05502	1.1
56.05037	2.1
60.04519	1.3
67.05497	0.9
68.05031	0.6
69.03417	1.1
69.07059	1.2
69.95512	0.7
69.95924	1.5
70.02948	0.6
70.06584	100.0
71.04984	1.4
71.06902	3.2
72.08148	13.5
74.06071	1.7
79.05486	0.5
81.03436	0.4
83.06090	0.8
84.04499	6.5
84.08132	6.9
85.02901	1.7
85.08450	0.4
86.03179	0.4
86.09695	62.4
87.05579	1.1
87.10035	1.4
88.03983	7.9
91.05475	1.5
93.07035	0.5
95.04967	1.2
96.08115	0.5
97.02888	0.7
98.06032	0.8
98.20763	0.4
101.07120	1.3
101.10757	0.4
102.05534	2.3
106.06549	0.4
107.04935	0.7
109.02885	0.7
110.07169	2.3
112.08724	0.8
113.07121	0.4
114.05500	0.5
114.09158	0.4
115.08700	0.8
116.07098	1.5
116.60587	0.4
119.04957	0.5
120.06548	0.6
120.08095	0.7
122.06028	0.4
123.04411	0.4
125.07096	7.8
125.08010	0.4
126.05503	0.7
127.08629	0.8
127.11239	0.4
129.06599	0.7
129.10245	4.9
130.04997	1.2
130.08640	0.7
130.10622	0.4
131.04988	0.3
133.06094	1.3
134.04492	0.6
135.04428	1.2
136.07568	9.9
137.07938	3.3
138.05440	0.6
141.10274	0.7
143.11765	0.5
144.06593	0.5
147.04405	1.3
147.07692	0.9
148.06021	0.6
149.05887	0.5
155.08133	0.9
157.09709	0.7
157.13339	0.9
160.51567	0.4
163.03940	2.2
163.13327	0.8
164.07037	1.1
167.08127	2.8
168.06538	0.5
169.09706	0.7
169.13342	0.7
171.07617	2.6
171.11246	1.0
181.09615	0.4
182.04971	0.6
183.11322	0.5
183.14912	4.2
185.09203	16.0
186.12370	0.8
187.10696	0.7
187.14380	0.7
193.09639	0.6
193.13362	1.7
194.08168	0.6
195.07715	1.1
196.06026	10.5
197.12875	0.6
199.10835	0.6
200.10323	0.4
200.14091	0.4
201.12274	0.6
203.10286	3.3
204.10580	1.3
205.06512	0.5
208.02834	0.8
208.08362	0.7
211.14413	1.5
213.08681	16.5
214.09167	0.4
214.11871	1.1
215.14003	1.0
220.14375	0.5
221.12794	1.2
228.13364	0.5
229.11752	0.5
233.14929	1.0
238.75786	0.4
241.07512	0.4
245.11279	3.0
246.14508	1.3
247.10426	0.5
247.12880	6.5
249.10944	0.5
251.07018	0.4
253.10541	0.8
257.09488	1.5
258.09814	1.9
260.16043	0.6
261.14752	0.5
263.13788	0.4
265.04858	0.4
266.14813	0.8
272.12375	0.5
275.14169	0.5
279.06467	1.1
279.15958	0.5
285.15802	0.5
285.19006	0.5
294.17868	0.6
297.07443	0.9
298.17493	1.0
299.11169	0.4
308.16098	1.1
312.15390	1.8
316.13690	1.1
325.06970	0.6
326.17081	12.3
327.20450	0.5
344.18036	3.1
355.03528	0.4
364.89948	0.4
382.16306	0.4
399.02213	1.2
424.17218	0.5
441.19376	2.3
459.20599	12.2
459.26157	1.3
460.22882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15891	0.3
55.01866	0.7
55.05247	0.4
55.05502	4.1
56.05025	2.9
57.03428	0.5
57.05805	1.1
58.59216	0.3
59.04991	2.7
60.04519	1.8
60.05640	0.6
61.01143	0.8
63.37698	0.3
67.05488	0.9
68.05006	0.7
69.03416	1.8
69.07058	4.5
69.47996	2.0
69.48431	1.4
70.02954	0.7
70.06584	53.4
71.04973	0.7
71.06915	2.1
72.08147	44.7
73.02933	0.3
73.08472	1.1
73.25840	0.3
74.02428	0.7
74.06055	1.8
75.05600	0.4
76.02206	0.6
79.05486	0.6
81.03400	1.5
81.07037	0.7
82.06588	0.6
83.04994	0.4
83.06100	1.2
84.04493	6.8
84.08134	14.9
85.02898	3.4
85.04843	0.3
85.06511	0.3
85.08475	0.6
86.06062	0.5
86.09695	100.0
87.00841	0.4
87.04456	0.5
87.05582	2.9
87.10026	1.9
88.03983	2.3
90.05585	0.6
91.05489	2.1
93.04495	0.5
93.07050	0.7
95.04964	1.2
95.06118	0.6
95.08588	0.6
97.02875	1.0
98.06059	1.3
99.04453	0.6
100.65373	0.3
101.07132	1.3
101.10767	0.5
102.05521	2.7
104.10753	1.3
105.07012	0.6
107.04960	0.9
107.08568	0.6
108.08110	0.7
109.02879	0.6
110.07152	4.9
110.07854	0.4
112.07610	0.6
112.08710	1.7
113.07135	1.2
114.05559	0.6
115.08689	1.6
116.03416	0.4
116.07079	1.7
116.58163	0.3
117.09110	1.0
119.04945	0.8
119.08548	0.4
120.06683	0.5
120.08091	8.9
120.08916	0.7
121.08436	0.8
121.10129	0.7
123.04446	1.3
124.11210	0.4
125.07101	0.8
126.05518	0.8
126.09100	0.4
127.03922	1.8
127.04810	0.3
127.08675	0.9
128.10745	0.4
129.06615	0.6
129.10228	9.6
130.05011	1.6
130.06541	0.9
130.08629	2.7
130.10612	0.7
131.04953	0.4
132.08060	0.5
132.10167	0.5
133.06073	16.8
133.10132	0.5
135.04395	0.9
135.07988	0.4
136.07556	6.4
136.08517	0.6
138.09109	0.5
140.08218	0.4
141.10234	0.7
142.12285	0.5
143.08168	0.6
143.11732	2.2
144.06578	0.5
145.04939	0.5
145.10199	0.4
147.04422	0.7
147.07686	0.9
147.11259	2.5
148.06107	0.3
150.05716	0.4
153.10294	0.5
154.04974	0.5
155.08174	1.1
156.07640	0.4
157.09764	0.4
157.13371	0.6
158.09428	0.5
159.09210	1.0
161.09407	0.3
162.05556	0.8
163.03952	0.4
164.07126	0.5
165.05527	1.2
166.08574	0.4
167.08205	0.3
169.10886	0.7
171.07726	0.4
171.11270	3.0
171.14893	0.4
173.09213	2.6
173.12904	0.8
174.09496	0.4
175.12029	0.5
175.14801	0.4
181.06259	0.5
181.09738	2.0
182.08109	1.7
183.11444	1.0
183.14905	1.9
184.07312	1.7
185.09221	0.6
185.12975	0.5
185.16476	2.3
186.09285	0.5
187.10828	1.0
187.14427	1.2
188.07143	0.3
189.08765	0.5
189.12387	0.7
193.14320	2.4
197.10400	0.7
197.12907	1.0
199.10803	1.5
199.18040	19.2
200.14053	0.5
201.12433	1.3
205.06522	0.5
207.08234	0.5
208.10902	0.4
210.15756	0.5
211.14499	0.9
213.12373	0.9
213.15906	1.8
215.10286	3.9
217.08154	0.6
217.11934	0.4
220.17088	1.0
223.07635	0.6
227.17513	22.4
228.13545	0.4
229.11902	0.6
229.15504	0.5
231.11337	0.7
231.13422	0.6
232.12901	27.9
233.11282	2.2
233.13365	0.6
238.18091	1.4
240.19511	0.4
242.15117	0.4
244.09242	0.7
246.14526	0.8
249.12439	1.0
249.16052	1.3
251.07083	0.8
252.10172	0.4
253.16711	0.4
259.10846	0.5
260.19788	0.8
270.18164	0.5
277.11804	0.5
277.15710	0.5
279.06592	1.0
281.22327	0.5
284.19611	0.4
294.18311	0.6
297.07736	1.4
325.07181	0.5
326.04022	0.6
326.24390	5.9
326.27951	0.4
345.21774	0.7
357.20648	0.4
360.13846	0.7
440.10663	1.4
440.28604	1.5
440.67145	0.4
441.27829	0.4
449.24841	0.7
457.73691	0.6
458.11572	0.8
458.30273	14.6
458.76114	1.1
459.18036	0.8
459.31009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23818	0.3
55.05504	1.5
56.05019	2.3
57.03407	0.3
57.05797	0.3
58.99572	0.3
60.04517	3.5
60.05648	0.9
61.07746	0.3
63.07444	0.3
67.05497	0.8
68.05824	0.3
69.03418	1.0
69.07055	1.1
70.02949	1.1
70.06583	100.0
71.04983	1.2
71.06919	1.6
71.76465	0.5
72.08145	17.2
74.06071	2.8
81.07037	0.4
82.06563	0.4
83.06073	0.8
84.04496	9.0
84.05630	0.5
84.08131	11.6
85.02894	1.6
85.04025	0.4
85.04846	0.4
85.08475	0.4
86.06059	0.4
86.09695	17.4
87.05579	2.3
87.10004	0.5
88.03973	2.1
91.05460	2.2
95.04961	0.5
95.06123	0.5
96.04492	0.3
96.08081	0.5
97.02917	0.7
98.03551	0.4
98.09659	0.5
99.05553	0.3
100.03995	0.3
100.05080	0.7
100.07580	0.5
101.07143	1.7
102.05537	2.3
104.05331	0.7
106.05004	0.4
107.04913	1.5
109.10146	0.7
109.89191	0.3
110.03542	0.8
110.06017	0.8
110.07150	3.6
110.10457	0.5
110.63945	0.3
111.04292	0.4
111.09167	0.4
112.05080	6.5
112.07593	1.0
112.08713	1.2
113.07122	0.5
114.05513	0.8
114.09179	1.0
115.08687	1.1
116.07083	3.0
119.04971	0.8
120.05804	0.3
120.06599	0.5
120.08070	1.8
121.94799	0.4
122.06039	0.4
123.04430	0.3
123.08038	0.4
124.05054	0.6
125.07096	0.5
126.05530	0.5
127.03854	1.0
127.08650	3.3
128.03441	0.7
128.04530	0.5
129.06610	1.0
129.10222	8.4
130.04961	2.3
130.08678	0.4
130.10599	0.3
133.06102	1.0
135.04430	1.4
136.07574	5.2
139.08672	0.5
140.07066	0.8
141.10245	1.3
142.06094	0.4
143.11803	1.4
144.06479	0.7
145.02838	0.4
145.04913	0.4
145.06349	0.4
145.12288	0.4
147.04446	1.0
147.07610	2.3
147.11296	0.5
148.06055	1.2
152.04539	0.8
152.07063	0.7
153.10229	0.4
155.08144	2.7
157.09766	1.4
157.13383	0.3
159.09282	0.5
159.11259	3.8
162.05533	1.0
163.03885	2.1
163.13263	0.7
164.07050	1.0
167.08188	0.8
169.09753	0.6
169.13350	14.2
170.05574	3.6
171.11284	0.6
173.09233	1.0
175.10721	1.5
177.05478	0.5
179.08574	0.9
181.06219	0.5
181.09702	0.5
182.04965	0.7
183.15012	1.1
185.09247	1.1
186.12363	0.6
187.10762	4.2
187.14491	0.8
188.06631	3.0
189.08781	0.4
196.14726	0.4
197.12828	8.7
201.12384	0.9
207.08020	3.0
208.02895	0.4
211.14473	0.4
212.10249	0.5
213.08665	0.6
215.13889	0.5
216.09758	0.3
217.08319	0.5
217.11827	2.0
221.05875	0.4
224.10304	0.3
226.15504	1.5
228.13396	0.6
229.15587	1.2
230.11378	1.2
231.09833	0.8
234.10991	0.4
235.07475	2.2
236.07959	0.8
239.10344	0.5
240.09885	0.5
242.15244	0.4
244.13002	0.7
245.11273	4.5
252.10153	5.9
254.15164	0.5
256.12955	0.4
258.14609	1.2
263.06833	0.5
264.07538	0.6
268.10495	0.4
272.16019	28.7
273.16388	0.5
274.13876	0.5
284.16092	1.0
288.15479	0.9
291.10168	0.6
296.10049	1.4
297.07675	0.4
297.12222	1.8
301.11801	0.6
302.17142	1.1
315.13385	4.2
319.12939	0.8
324.05978	0.7
324.09482	0.9
325.18930	0.4
325.22333	0.6
327.08875	0.5
339.23880	0.5
343.08917	0.3
350.11844	0.4
353.22092	0.4
359.19711	0.5
361.14465	0.3
378.13651	0.3
383.21606	0.5
440.19128	0.4
440.25134	0.9
458.18149	5.6
458.25821	3.1
458.30914	1.9
458.77280	0.5
459.19125	0.4
459.25217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05499	1.1
56.05024	1.1
58.99578	0.3
60.04509	2.5
60.05625	0.6
61.19505	0.4
67.05488	1.4
68.05036	0.5
68.18836	0.3
69.03413	0.7
69.07053	1.2
69.69398	1.5
69.69825	1.1
70.02939	0.7
70.06580	100.0
71.04983	3.0
71.06910	1.5
72.05327	0.7
72.08144	12.8
73.02902	0.4
74.06053	2.0
76.02192	0.4
81.03399	0.5
83.06125	0.4
84.04491	6.0
84.08131	6.1
85.02882	1.4
86.06053	0.5
86.09692	38.5
87.05576	1.1
87.09985	0.4
88.03991	2.3
91.05466	1.0
92.71236	0.4
93.07008	0.5
94.06612	0.5
95.04970	1.0
96.08096	0.6
97.02895	1.1
97.07654	0.4
98.06043	1.2
99.08063	0.5
100.02176	0.4
101.07143	0.6
102.05533	1.8
104.05302	0.4
106.04998	0.5
107.04954	0.6
108.08068	0.6
109.10165	0.7
110.07161	3.0
112.08717	2.8
114.05499	0.6
115.08689	1.5
116.03471	0.4
116.07072	3.7
117.09170	0.6
119.04910	0.7
120.08087	1.3
122.02719	0.4
122.06026	1.0
124.03913	0.5
124.07610	0.8
125.07091	2.7
126.05538	1.1
127.08691	1.4
127.11201	0.8
128.11571	0.8
129.06552	0.6
129.10231	4.1
130.04993	3.0
130.08640	1.1
135.04411	1.2
136.07549	16.7
138.05486	1.7
139.08699	0.5
141.06593	0.4
141.10190	3.8
143.11771	1.1
145.02769	0.5
145.06023	0.5
145.12276	0.5
146.02689	0.9
147.04437	1.0
147.07561	1.8
147.11275	0.7
148.06061	0.9
150.05508	0.7
152.07082	0.9
153.10210	0.4
154.08618	0.9
155.08139	0.9
157.09717	1.3
157.10852	0.9
157.13338	11.2
162.05482	0.4
163.03937	2.0
163.13327	1.2
164.07082	2.3
164.13660	1.0
167.08141	1.1
167.11809	0.7
168.06551	0.4
169.09673	3.4
169.13371	1.2
171.07631	0.7
171.11263	1.9
173.09238	0.6
175.11864	0.7
179.08479	0.6
180.06532	0.8
182.08064	0.8
183.14917	3.4
185.09178	4.9
185.12813	7.4
185.16441	0.6
187.10771	4.5
195.07607	0.4
195.11488	0.5
196.05989	1.8
197.12875	1.0
198.07623	0.7
198.12521	0.5
199.10838	1.0
201.12318	1.0
203.10231	40.2
207.07991	2.4
208.02821	0.4
208.10841	0.4
211.08934	0.5
211.14438	1.3
212.10355	0.7
213.08684	2.7
213.16002	0.5
215.13867	0.5
217.11740	2.9
225.17104	1.9
230.11473	1.1
231.09811	1.4
235.07591	1.5
236.07959	0.4
240.09674	0.4
242.15189	0.5
245.11423	1.0
247.12952	1.6
249.11121	0.4
250.05888	0.7
252.10188	4.3
256.06232	0.4
256.16522	2.5
257.09494	4.6
258.10025	0.4
259.07602	0.7
260.16107	1.1
264.07419	0.6
272.16034	0.9
274.13913	9.2
279.06396	0.5
282.18320	0.5
291.10153	1.3
291.26459	0.4
295.06012	0.5
296.06430	1.0
296.09976	0.8
297.07413	0.7
297.12402	0.8
298.17493	0.5
308.16058	0.4
312.15454	0.4
312.19159	1.0
315.13165	2.8
319.12881	0.9
324.05835	1.1
324.09521	0.6
326.13788	0.4
326.16809	1.9
337.13483	0.6
339.19977	0.5
343.19781	0.5
344.18292	1.0
345.18701	0.4
440.18762	0.7
440.25278	1.2
458.16364	1.1
458.19214	0.7
458.26108	4.1
458.31641	6.4
458.58246	1.3
459.20407	2.3
474.10184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1915
Annotation	minocycline
Peak:m/z	Relative Intensity
55.01851	0.6
55.05497	1.4
56.01342	0.5
56.05022	2.2
57.03421	1.0
58.99585	0.7
60.04527	2.2
60.05625	0.7
67.05502	2.2
68.05012	1.0
68.05824	0.5
69.03416	1.5
69.07069	1.3
69.13094	0.4
70.02940	0.7
70.06580	100.0
71.04977	5.2
71.06905	1.9
71.15505	0.4
71.64285	0.8
72.05310	1.5
72.08142	11.4
73.02892	0.7
74.06064	2.9
76.02240	0.6
81.07037	0.6
83.06106	1.0
84.04493	7.4
84.08130	8.5
85.02893	2.7
86.06062	0.6
86.09690	23.7
87.05576	1.4
88.03973	1.9
91.05487	1.7
95.04996	0.7
97.02882	1.2
98.06037	0.7
99.08066	0.9
101.07138	0.6
102.05547	1.3
104.05329	0.7
107.04952	1.2
109.10132	0.9
110.07140	4.1
110.10468	0.9
112.05068	1.3
112.07577	1.0
112.08708	1.7
114.05517	7.8
115.08697	1.1
116.07076	32.4
117.09120	2.0
119.04917	1.0
120.08086	1.8
122.06001	0.8
123.04414	0.7
124.04982	0.5
124.07541	1.0
125.07107	1.1
127.03906	1.0
127.08643	2.2
127.11179	2.6
128.11545	2.3
129.06535	1.3
129.09206	0.7
129.10214	6.8
130.04987	1.7
130.08589	0.8
133.06114	1.4
134.05984	0.6
135.04390	0.7
136.07553	9.8
136.08571	0.8
138.05470	1.3
138.06567	0.6
138.97147	0.4
140.08179	0.6
141.10213	1.6
145.04939	0.5
145.12207	1.3
146.12511	1.1
147.04401	1.3
147.07637	1.4
147.11264	0.6
148.06169	0.7
150.05486	0.5
150.07729	1.1
152.07047	0.8
155.08134	1.9
156.07639	1.2
157.09691	1.1
157.13393	2.0
158.09230	0.6
162.02345	0.5
162.05460	0.7
163.03835	2.4
163.13263	3.7
164.07059	1.8
164.13637	2.2
165.06975	0.7
167.08203	1.1
169.09724	1.4
169.13318	5.2
170.05606	0.5
171.11337	0.6
173.09154	1.0
178.07832	1.5
179.08528	15.0
180.06467	1.2
180.08911	0.8
181.06450	1.4
182.04938	0.5
183.07947	0.6
183.14951	1.1
185.09219	1.8
185.12817	1.1
187.10748	2.1
189.06998	1.3
191.08504	0.6
193.06483	1.0
194.07188	0.5
195.07883	1.5
196.05991	0.8
197.12807	3.8
198.07613	1.1
199.10855	0.6
201.12297	0.5
203.10262	2.6
205.06429	0.7
206.07175	0.5
206.09689	0.8
207.08015	53.6
208.08383	1.6
209.06091	0.6
209.09546	0.8
211.07550	0.7
212.10269	1.0
213.08621	1.2
214.42630	0.5
217.06441	5.0
217.11852	1.5
218.07143	1.0
219.13452	0.8
221.06023	2.3
223.07509	2.8
230.11348	0.7
231.09781	3.1
234.06770	1.0
234.09116	1.6
235.07498	29.4
236.07851	1.8
237.09079	3.4
238.08582	0.6
240.09753	1.4
244.12961	0.7
245.11264	1.3
251.06938	0.6
251.11810	2.8
252.10150	94.0
253.10475	2.0
254.14861	0.6
255.06505	0.6
257.09482	2.1
259.07742	0.5
263.06955	3.7
264.07336	0.9
269.12817	1.6
270.11310	1.1
272.15891	2.3
274.13928	1.2
276.10062	0.5
279.06464	0.8
280.09644	1.5
281.08167	1.1
295.09485	0.7
296.06516	0.5
296.09866	1.7
297.07324	1.4
297.12292	29.1
298.10626	9.1
301.11850	0.6
302.16940	3.1
315.13336	70.3
316.13663	2.1
324.09546	0.9
325.06592	0.6
325.18616	1.2
332.12784	0.6
341.18149	0.6
343.12643	2.5
350.13806	1.4
353.18039	0.8
361.13785	5.4
377.15042	1.9
378.13248	7.1
395.15991	2.3
412.18433	1.2
422.12396	1.1
440.18140	22.2
441.16498	6.3
458.19162	37.9
458.25644	3.4
458.30664	3.6
458.75894	0.7
459.19577	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	458.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.1
55.20509	0.8
56.05024	1.7
58.99571	3.0
60.04508	1.2
63.44337	0.7
65.03940	1.1
65.75151	0.8
67.05490	3.7
68.05015	2.0
69.07057	1.4
70.02942	1.6
70.06581	45.4
71.06909	1.7
71.70963	1.4
72.08141	11.9
73.02911	1.0
74.00624	1.1
74.06072	2.0
76.02211	4.6
77.03949	0.9
79.05473	1.9
80.05009	0.9
82.06580	4.1
83.06083	1.0
84.04498	5.3
84.08134	15.9
85.02895	1.5
85.08434	0.8
86.00639	2.7
86.09704	11.7
87.05562	1.5
88.03957	4.4
91.05461	7.0
92.04973	1.9
93.07057	1.4
94.06556	5.4
95.04970	1.8
96.04479	8.9
97.01099	1.1
99.01398	1.2
100.02183	3.2
101.07150	1.3
103.05446	5.6
105.00032	0.9
107.04948	1.8
108.04484	1.0
108.08109	3.0
109.07655	1.1
110.06035	11.3
110.07132	4.3
112.07571	1.2
112.08690	0.9
114.03742	1.7
115.08683	1.0
116.01697	1.1
116.07059	3.5
120.01134	1.2
120.04444	2.1
120.08088	100.0
122.02699	1.0
122.06010	25.4
123.04372	1.2
124.07580	4.8
125.00592	1.1
126.03691	1.0
126.05530	1.1
127.08649	2.1
129.10216	11.9
130.04947	1.4
130.08586	1.6
131.04912	2.9
131.07051	1.3
132.01152	5.3
134.06013	2.3
135.04462	2.2
135.59781	0.9
136.07559	50.4
137.02275	1.0
137.07056	8.2
137.07854	1.0
138.00075	1.3
138.05486	11.8
140.01611	17.2
140.02597	1.5
140.07045	2.6
142.03249	5.0
144.06529	1.4
145.01855	1.1
145.07564	1.7
146.02696	7.1
146.06021	2.5
146.07941	2.2
147.04419	1.2
147.07629	1.4
147.11282	0.8
148.03929	1.9
150.03723	1.7
150.05505	0.9
151.08475	0.8
152.01649	2.4
152.07054	0.9
154.03177	2.9
154.08614	1.4
155.08165	1.2
161.07076	2.4
161.12848	1.0
162.02184	1.9
162.05463	2.0
162.07805	1.7
163.03867	7.5
163.08664	1.5
164.07051	35.6
165.07317	1.1
166.03238	1.5
166.04961	2.3
166.08617	54.1
167.06334	2.1
168.04666	0.9
169.04303	1.8
169.13284	1.2
170.02737	1.0
177.05295	1.3
178.03159	1.5
182.08107	21.4
182.09715	1.1
183.05867	2.2
183.14867	1.6
184.00670	4.6
184.06032	1.5
185.09209	1.6
187.10672	1.8
194.02710	1.8
195.05862	15.2
195.07486	1.7
196.04227	1.1
199.10802	1.0
200.10645	1.2
207.07709	5.4
210.09024	1.5
210.32283	0.8
213.08649	1.5
214.08739	1.1
217.11742	1.9
221.03012	0.9
224.03609	1.0
226.15547	1.1
227.11707	1.5
228.10229	2.1
229.06444	8.7
229.09853	1.6
230.08113	1.8
230.11334	1.4
235.07610	1.2
240.13261	1.2
241.06392	35.2
241.09885	2.0
244.12880	1.7
244.16547	1.7
252.10219	2.4
255.06345	0.9
255.11259	10.1
256.09631	10.0
258.14395	1.7
259.07465	55.6
259.10611	4.4
259.14896	2.0
269.12695	1.0
272.07779	0.9
283.10690	2.1
284.09058	1.6
285.12177	1.0
301.11731	15.1
302.10159	18.5
303.10339	1.7
303.13345	1.1
311.17145	1.7
315.13336	3.3
319.12851	12.5
320.11292	3.5
324.05646	1.1
333.09247	4.7
337.14099	1.5
351.09952	1.6
377.11548	1.5
422.13739	2.7
440.14819	16.4
440.28473	1.2
458.15518	11.1
458.25671	2.6
458.29822	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
53.54242	0.5
54.86634	0.5
55.01857	0.9
55.05498	3.6
55.54366	0.5
56.05035	2.7
57.03428	4.4
57.05810	0.6
57.07066	0.5
58.81430	0.5
59.04993	1.8
60.04530	1.3
61.01146	0.6
61.02925	1.1
67.04283	0.6
67.05495	26.8
69.03418	4.7
69.07074	1.0
69.93240	1.7
69.93671	1.7
70.02952	0.8
70.06583	37.4
71.01340	1.0
71.04982	100.0
71.06921	2.2
72.05318	0.5
72.08147	11.6
73.02913	5.6
73.08479	0.6
74.06065	1.0
76.02209	1.0
79.05473	0.6
81.03412	1.2
81.07048	2.8
83.06084	0.8
83.08627	2.8
84.04501	5.5
84.08131	7.8
85.02896	7.7
85.06565	2.9
86.06068	1.5
86.09697	8.7
87.04442	1.3
87.05577	1.0
88.03985	1.2
91.05498	1.4
93.06987	1.0
95.04961	1.0
97.02880	6.2
97.84834	0.6
98.06019	1.0
102.05540	1.2
103.92417	0.6
104.05327	2.1
104.07092	0.7
107.04959	3.1
107.08546	0.7
109.02879	1.2
109.10144	24.5
110.07140	5.8
112.08742	1.0
114.05535	0.8
115.03937	2.2
115.08706	0.7
116.07104	2.1
119.04958	1.1
120.08099	2.4
122.06032	1.2
122.06995	0.7
125.07095	0.7
127.03906	2.0
127.11176	78.5
128.11552	0.6
129.06538	0.7
129.10225	4.0
130.04976	1.7
130.08672	1.2
135.04381	1.5
136.07559	9.8
137.02220	0.6
138.05489	0.6
139.03802	0.6
141.10213	0.6
142.03242	0.6
145.02882	0.6
145.05009	0.7
145.12219	51.5
146.02707	0.7
147.04439	3.1
147.11279	1.1
148.05902	0.8
150.07719	1.2
152.07101	1.3
155.08179	0.9
157.09653	0.6
157.13330	0.7
158.97374	0.8
163.03888	3.7
163.13271	77.4
164.07031	1.0
164.13634	0.9
165.06932	0.6
169.13344	1.7
177.05492	0.9
179.08571	1.3
181.06374	0.7
183.14897	0.8
187.10756	1.7
193.06462	0.6
193.09673	1.3
196.05862	0.6
197.12828	1.3
203.10172	1.7
207.08035	3.9
209.15356	0.9
217.11804	0.8
219.08087	0.6
221.05951	2.6
234.98871	0.9
235.07437	4.7
237.08945	0.7
239.06816	1.1
245.11353	2.3
249.05415	2.6
252.07741	1.0
252.10161	5.1
252.97858	0.7
256.11627	0.6
257.09509	1.6
258.09732	0.6
262.06241	1.0
263.07114	2.9
267.06482	1.1
267.10129	1.5
270.98883	1.1
277.05011	1.2
277.08636	1.6
295.05963	3.6
295.09592	5.5
295.17584	0.8
296.06305	0.7
297.12357	1.0
305.07797	0.8
315.13229	2.3
323.05399	4.7
323.09116	3.8
325.18442	6.8
330.98813	0.7
397.01910	2.4
398.15750	0.6
421.12378	3.0
424.48096	0.6
439.13290	1.3
457.28073	1.9
458.18930	2.1
458.26285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01870	4.8
55.05505	5.2
56.05014	3.0
57.03428	2.4
57.07059	1.5
58.99575	5.6
61.01148	1.9
61.02901	1.5
65.03926	1.8
67.05494	5.1
69.03422	8.3
69.07055	10.7
70.06583	33.6
71.04983	5.3
71.06922	1.8
71.77333	1.6
72.08143	13.1
73.02905	1.5
74.06065	1.8
76.02219	25.9
76.03986	2.1
79.05483	5.8
80.05004	1.2
80.11287	0.9
81.03397	6.3
81.07059	9.5
83.04970	2.2
83.06074	2.2
83.08598	2.1
84.04488	16.1
84.08138	9.9
85.02895	16.9
85.03414	1.3
85.06538	3.4
86.09692	22.0
86.99056	1.5
87.00805	5.2
87.04452	1.1
87.09996	1.0
88.03987	1.0
89.06007	1.0
91.05468	47.8
92.05789	1.8
93.05736	0.8
93.07033	12.9
94.06567	1.8
95.04960	6.1
95.08588	8.7
96.08112	1.3
97.02876	7.8
97.06523	4.1
99.04433	3.9
99.05540	5.7
102.05537	2.9
103.05470	1.1
104.05273	1.1
105.01856	4.7
105.07011	10.9
107.04975	2.1
107.06019	1.6
107.08582	13.1
108.08106	7.1
109.02859	6.1
109.06499	39.5
109.10133	12.4
109.10812	1.3
110.07140	3.4
111.04448	1.1
111.08073	1.7
112.08706	2.0
115.05440	1.1
115.08681	1.1
116.01653	8.2
117.07006	3.4
117.97832	1.1
119.04965	1.5
119.08578	5.1
120.08099	9.2
121.02842	1.2
121.06478	12.1
121.08430	2.0
121.10121	9.4
122.09680	1.2
123.04408	2.0
123.08042	8.1
123.11694	1.7
124.07565	0.9
124.11223	0.9
127.03921	9.9
127.04849	1.8
129.01826	1.0
129.07004	1.1
129.10237	4.8
130.05002	3.8
131.08556	12.8
132.08078	1.1
132.10205	2.5
133.06508	1.6
133.10104	36.8
135.08040	21.0
135.09082	0.9
135.11678	3.6
136.07570	2.5
137.05995	1.2
137.09625	3.2
141.10184	1.0
142.03181	2.1
143.08517	3.6
144.01155	3.5
145.04930	2.7
145.06123	4.9
145.10118	7.0
147.04382	2.0
147.11667	17.1
149.05972	2.7
149.09627	4.9
149.13214	6.1
151.11198	1.8
153.06544	6.7
153.09091	1.4
155.08217	1.2
158.10898	2.3
159.02887	2.8
159.07944	1.8
159.09172	1.2
159.11746	1.5
161.05937	0.9
161.09618	2.9
161.13197	1.0
162.02177	9.4
163.11105	4.3
163.14815	1.7
164.05299	2.2
165.09076	11.6
167.07031	2.4
170.02751	1.4
171.11618	1.8
173.09435	2.2
173.13245	20.2
174.13605	1.0
174.99968	0.9
176.14227	1.2
177.05511	1.4
177.09099	1.4
179.04843	13.9
183.11543	1.1
184.02463	2.8
185.16446	1.2
187.11189	1.0
189.12766	1.2
191.14278	100.0
192.14774	1.5
199.07072	8.6
205.12189	1.9
207.72717	0.9
209.08037	1.4
209.15341	19.1
213.16051	3.1
218.15396	0.9
220.16936	4.0
221.00470	3.5
221.17250	1.0
222.18504	2.6
225.05096	11.9
229.12024	0.9
231.04868	1.2
233.05875	1.6
233.11571	1.4
238.17973	7.4
238.68225	1.5
239.18639	2.6
240.19550	8.5
241.19862	2.2
245.18698	1.7
253.04663	1.2
276.15207	0.9
294.09140	1.8
311.05148	9.1
328.07928	4.8
382.08972	2.3
456.74854	1.5
457.25436	2.2
457.34290	1.9
458.17004	1.4
475.35483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65316	0.7
52.12865	0.6
53.03916	0.7
55.05501	1.3
57.07038	0.7
66.98440	0.6
67.05476	2.5
69.03412	4.9
69.07053	1.3
69.26218	0.6
71.10497	2.2
76.69954	0.7
78.55092	0.7
79.05470	3.9
81.03388	0.9
81.07042	4.8
83.04974	0.9
85.02881	2.1
86.09667	1.1
87.00820	1.6
91.05463	5.6
93.07030	2.7
95.04951	1.2
95.08607	1.2
97.02846	1.1
105.01868	1.5
105.07005	5.5
107.04929	3.8
107.08586	17.0
108.87190	0.6
109.06481	2.4
109.10139	5.1
113.72069	0.7
117.06996	1.2
119.08532	2.2
121.06501	1.6
121.10133	9.2
122.07283	4.3
123.08052	0.9
127.03902	2.5
131.08539	2.3
133.10114	100.0
134.10464	1.5
135.08044	6.4
135.11646	1.9
137.09598	49.5
138.09842	1.0
138.22554	0.7
145.10106	1.0
147.11642	2.1
149.09628	1.5
149.13226	8.7
158.10915	0.9
163.14781	2.5
173.13248	6.7
191.14278	58.8
192.14615	0.9
209.15341	4.5
213.03828	0.9
231.05034	0.8
393.74652	0.7
412.97647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02663	0.7
53.03933	1.4
55.01860	1.1
55.05489	1.4
57.07061	0.7
60.46982	0.7
67.05476	1.7
68.30785	0.7
69.03424	5.8
69.07046	2.5
69.58865	0.6
70.06558	0.8
71.10489	1.3
72.54614	0.6
75.51655	0.6
76.02206	1.6
79.05475	4.3
81.03389	2.8
81.07042	5.9
83.04961	1.9
85.02893	4.2
86.09691	2.1
87.00819	1.3
91.05460	6.8
93.07025	2.8
95.04931	1.5
95.08569	1.5
97.02876	1.5
99.04395	0.8
99.62083	0.6
99.76450	0.7
105.01842	2.1
105.07009	5.9
106.56735	0.7
107.04917	2.5
107.08584	17.1
109.02843	1.6
109.06489	4.3
109.10151	4.9
115.05451	1.1
117.07005	2.3
119.08583	2.3
119.92588	0.6
121.06473	1.5
121.10140	11.3
122.07262	4.2
123.08075	1.1
123.77229	0.6
127.03901	2.8
130.05048	1.0
131.08539	1.9
133.10110	100.0
134.10454	1.5
135.08037	8.8
135.11636	1.2
137.09596	50.8
145.05035	0.7
145.06094	0.7
145.10097	1.6
147.11653	1.9
149.09581	1.8
149.13234	11.3
151.10141	0.8
151.11137	4.9
163.14819	2.0
165.12701	3.4
173.13261	6.6
191.14276	56.3
192.14746	0.7
193.15858	0.8
209.15352	15.1
217.92421	0.7
230.61249	0.6
231.04857	0.8
254.57640	0.7
339.19199	0.7
439.19781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37817	1.8
51.65007	1.9
53.03907	3.5
55.01852	2.7
55.05502	5.1
57.07055	2.7
58.99567	3.2
59.04995	2.0
61.46766	1.8
65.15744	1.8
67.05512	9.0
68.33982	1.6
68.99796	1.9
69.03072	1.8
69.03412	10.1
69.07046	7.0
70.06586	15.8
71.04971	6.0
72.08144	2.9
72.56870	1.8
73.02902	3.9
76.02216	16.7
79.05463	6.8
81.03400	9.0
81.07043	13.8
81.07444	2.1
83.04988	2.9
83.08608	2.3
84.04487	8.8
84.08117	9.0
85.02893	16.3
85.06532	3.5
86.09679	6.6
87.00809	6.6
91.05464	32.1
93.07056	9.4
95.04940	5.0
95.08607	13.2
96.59854	1.9
97.02859	6.5
97.06499	5.5
99.04417	2.9
99.05545	2.9
105.01845	3.7
105.07027	16.2
107.04931	4.5
107.08577	14.3
108.08112	4.8
109.02844	6.5
109.06499	68.9
109.10136	16.9
110.07110	2.8
115.05402	1.8
116.01669	3.8
117.06992	2.4
119.08561	9.6
120.08081	2.2
121.06435	3.5
121.10135	11.1
123.08043	15.4
123.11691	4.0
127.03880	11.8
129.10204	1.9
130.04979	4.4
131.08554	25.2
133.10120	89.0
135.08031	29.5
135.11652	4.6
137.09613	4.2
142.03250	2.2
143.08505	3.9
145.04907	6.1
145.06023	5.0
145.10106	9.4
147.11668	6.8
149.09613	3.9
149.13228	5.7
153.06583	4.1
153.08946	2.0
158.10881	3.6
159.02864	2.9
159.11588	2.3
162.02209	5.4
163.14752	2.7
164.05266	2.2
165.09067	22.7
173.13245	46.7
175.11147	3.4
175.14810	2.6
179.04808	6.8
181.10146	2.1
191.14276	100.0
199.07111	4.2
205.12134	2.7
209.15346	38.9
220.16971	2.0
221.00488	2.5
225.05107	8.6
230.19298	1.9
238.18002	4.7
240.19476	3.5
279.70364	2.0
294.08960	2.2
311.05231	3.8
328.07892	3.0
457.11511	2.3
457.33267	7.2
476.74844	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03440	0.6
56.05015	0.8
58.99294	1.0
58.99574	14.3
63.82469	0.6
65.03925	1.5
69.66940	2.9
69.67352	1.6
70.02934	1.7
76.02213	66.5
76.03985	6.1
80.04991	1.3
83.06081	2.0
83.87171	0.5
84.04488	18.5
86.99036	3.0
88.02185	1.3
91.05462	100.0
99.05563	12.0
102.05532	0.6
107.06065	5.9
108.04459	1.5
108.08105	17.9
113.65195	0.6
114.03725	0.8
116.01658	17.2
117.97774	1.5
121.69253	0.6
123.02673	1.1
127.05025	1.9
129.06581	1.8
130.04973	8.4
135.05536	1.7
136.03952	1.0
142.03212	6.4
144.01105	10.6
144.02194	0.8
145.06052	21.2
145.07187	1.3
152.98256	2.7
153.06561	16.4
155.47752	0.9
162.02174	27.5
164.05278	6.2
166.06863	0.8
170.02708	2.7
179.04819	44.3
181.06058	4.7
182.00917	2.0
184.02446	10.0
187.05371	2.3
191.06371	1.2
194.95987	0.7
199.05367	0.9
199.07094	22.7
220.37502	0.6
221.00465	10.6
225.05098	40.0
227.04700	0.6
233.05869	5.4
236.24171	0.6
245.05939	2.8
250.74559	0.6
253.04657	4.2
254.03004	1.3
256.09253	2.3
257.07712	1.4
274.10312	1.5
275.01605	0.8
294.09030	5.9
308.09000	4.0
311.05112	26.2
328.07803	18.4
382.08820	8.6
457.11951	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	457.1114
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03931	3.7
53.44441	0.5
55.01867	1.3
55.05503	1.8
56.05025	2.4
57.03426	7.8
59.04996	3.9
60.04519	2.2
61.02911	0.8
67.05499	0.8
68.05027	0.6
69.03420	15.8
69.07066	1.0
70.02950	1.1
70.06582	73.0
71.01331	0.7
71.04982	8.2
71.06921	3.2
71.64600	1.0
72.08145	13.4
73.02917	3.8
74.06072	1.8
79.05483	0.8
80.05023	0.8
81.03407	20.4
81.07029	1.3
83.04974	1.2
83.06094	1.3
84.04496	9.1
84.08128	14.1
85.02898	3.8
85.06512	0.6
86.09693	21.9
87.00839	1.3
87.04452	1.3
87.05569	1.1
88.04006	0.9
89.02406	0.8
89.03913	0.8
91.05457	2.8
93.04517	0.6
93.07040	1.2
95.04939	1.4
95.06093	0.9
95.08595	1.1
96.08158	0.6
97.02889	1.4
97.06542	0.8
98.06055	1.6
98.98452	14.3
99.04441	12.1
101.07159	1.6
102.05544	1.9
104.05267	0.8
105.01858	0.8
105.07017	1.6
106.06538	1.0
107.04944	5.5
107.08595	1.3
109.02875	2.0
109.06509	0.9
109.10164	1.5
110.07146	6.1
112.08701	2.6
113.07131	0.9
115.08662	1.1
116.07081	1.4
116.99496	0.6
117.03371	0.9
117.05479	8.3
118.06554	0.7
119.04928	0.9
120.08097	6.1
121.02876	0.6
121.10130	2.0
123.04404	1.3
127.03887	2.5
127.08671	2.4
129.06580	0.9
129.10217	7.4
130.04964	2.7
130.06520	1.1
130.08675	1.5
130.10533	0.6
132.08101	1.2
133.02803	1.2
133.07596	1.0
133.10088	0.8
135.04411	1.3
135.08083	1.2
136.07550	3.7
137.02315	1.1
137.05965	0.8
137.09596	0.8
140.99455	0.7
143.11804	1.6
144.08028	0.7
145.02797	1.0
145.06607	0.6
145.07539	2.5
147.04388	7.7
147.07648	1.2
147.09195	2.3
147.11275	1.5
148.06049	2.2
149.07086	0.9
149.09612	1.7
151.11133	2.6
155.08142	3.6
157.07584	1.3
157.09758	1.8
159.09123	4.8
161.07079	5.2
162.03212	1.0
163.03885	5.7
165.07002	2.4
165.12753	2.4
167.08159	1.3
169.13342	3.2
170.07173	1.5
171.07878	0.8
171.09218	1.2
172.08673	25.5
173.02333	1.2
173.07095	3.8
173.08398	0.5
173.09161	0.5
173.13087	0.7
174.10214	1.0
175.08598	2.5
177.05492	1.6
179.04808	0.6
181.04477	0.8
183.09256	0.8
183.14902	6.0
184.08710	1.4
185.09273	1.3
185.10759	1.2
185.16518	0.9
186.10219	1.8
187.10854	0.7
190.09749	1.6
191.08188	1.1
191.14267	2.7
193.06503	1.5
195.11417	1.0
196.08740	0.6
197.05925	0.7
197.09363	1.2
197.11041	1.0
197.12767	3.2
198.06613	5.9
198.10255	2.3
199.12320	1.4
200.08104	3.1
201.12466	0.7
207.07962	2.7
209.10800	1.6
209.15302	8.6
210.10229	0.8
211.07574	0.6
211.10934	0.6
211.14362	3.5
213.15987	0.8
214.09732	4.1
215.03273	0.6
215.13951	1.8
216.07655	17.7
216.09686	1.2
217.04881	1.0
218.09250	2.9
219.07674	2.4
221.05942	7.8
224.08482	0.7
224.11752	2.8
225.05424	0.9
225.10266	0.5
226.09840	1.3
226.15715	0.8
227.11693	1.6
228.11380	0.8
229.08492	1.8
231.09758	1.7
234.06769	1.6
235.07535	6.4
239.07007	1.9
243.08736	46.0
244.07158	1.6
244.09206	0.9
247.12814	0.9
249.05431	10.6
250.05833	1.3
252.11284	0.8
257.10376	0.7
261.14502	1.1
262.06332	1.8
263.07050	4.3
267.06473	2.0
267.10068	2.7
270.12457	1.1
277.04996	5.2
277.08444	1.1
278.05344	0.6
279.06604	1.9
280.07349	0.8
285.09851	1.9
291.06589	1.0
295.06046	19.2
295.09659	8.4
296.06421	0.9
297.09964	1.0
298.11874	0.7
305.04468	0.9
305.07904	0.7
310.21262	1.5
316.13065	1.9
323.05511	16.2
323.09158	5.6
334.09485	1.8
341.06512	4.4
341.12439	7.9
344.17905	0.7
352.10751	0.8
356.18811	0.6
358.19629	2.5
359.13440	31.4
360.13824	1.9
377.14481	2.7
392.73163	9.2
393.23389	4.5
396.09540	6.9
397.07944	2.2
403.07831	1.0
407.70901	0.7
414.10553	8.9
415.09344	0.6
421.08923	5.5
421.24319	0.9
439.10080	100.0
440.10013	3.0
443.24982	0.7
444.70615	0.6
457.11288	46.6
457.26242	8.8
458.11798	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74578	0.4
53.85463	0.3
55.01867	0.8
55.05500	2.4
56.05014	2.1
56.96539	0.4
57.03424	1.0
57.05799	0.6
59.04982	0.6
59.32278	0.4
60.04514	1.7
61.02917	0.4
62.45502	0.3
63.31592	0.4
67.05495	0.7
67.28384	0.3
68.05008	0.7
69.03426	3.1
69.07051	1.7
69.75920	0.6
69.76331	2.1
70.06583	100.0
71.01341	0.7
71.04982	1.4
71.06913	2.4
72.08146	22.9
73.02901	0.8
74.06073	1.6
76.02214	0.5
77.25028	0.3
78.37186	0.4
79.05482	1.0
81.03411	2.9
81.07057	0.7
82.06547	0.4
83.04996	0.4
83.06077	1.1
83.08603	0.5
84.04492	8.9
84.08131	15.1
85.02896	2.7
85.06519	0.6
85.08455	0.5
86.06051	0.8
86.09695	26.2
87.05589	0.8
87.10038	1.0
88.03976	1.5
89.03906	1.5
90.05517	0.6
91.05447	1.9
93.04507	0.6
93.07045	0.8
94.97746	0.4
95.04964	1.7
95.06091	0.6
97.02872	1.3
97.06538	0.4
97.10184	0.5
98.06049	1.6
98.98466	1.0
99.04449	1.6
101.07117	1.4
101.10732	0.5
102.05537	3.1
103.05470	0.7
104.05319	0.4
105.01865	0.4
105.03394	0.8
105.07018	0.5
106.06568	0.4
107.04944	6.0
107.08565	0.5
109.02839	0.9
109.06486	0.6
109.10126	0.8
110.07159	7.4
111.04455	0.4
111.07510	0.5
112.08723	1.7
113.07111	0.4
114.05523	0.5
115.08675	1.1
116.01720	0.3
116.07067	3.0
117.03371	1.0
117.05491	0.8
119.04931	2.2
119.08569	0.8
120.06669	0.5
120.08104	4.8
121.06476	0.5
121.10142	1.3
122.07092	0.5
123.04465	2.0
123.05368	0.3
126.05489	1.5
127.03901	2.0
127.08658	0.6
128.10742	0.4
129.06627	0.6
129.10228	8.8
129.11115	0.6
130.05013	1.7
130.08644	1.1
130.10611	0.6
131.04855	0.4
132.10176	0.5
133.02855	1.6
133.06055	0.7
133.07581	0.4
133.10103	1.0
134.03654	0.5
135.04419	3.0
135.08125	0.4
135.11667	0.5
136.07564	3.6
137.02319	3.5
137.05975	0.7
138.06535	0.4
139.08624	0.7
141.10190	1.0
142.08676	0.4
143.11777	1.6
144.06438	0.4
145.02878	2.1
145.04985	0.6
145.06085	0.5
147.04404	5.2
147.07652	1.1
147.11311	1.0
148.06020	4.5
149.02460	0.4
151.03883	0.6
151.11163	0.6
151.60876	0.4
153.10205	0.4
155.08286	0.7
156.07742	0.5
157.07649	0.5
159.09196	0.8
161.02347	1.0
161.05959	0.5
161.07141	2.3
161.09270	0.6
162.03108	1.8
162.05600	0.4
162.09122	0.7
163.03882	17.8
164.04240	2.1
164.07045	0.6
165.05692	0.3
165.06981	6.7
165.08298	0.5
165.12752	0.8
169.06345	0.7
169.09702	1.0
169.13342	8.1
171.07915	0.4
171.11325	0.9
172.08693	1.5
173.02310	3.3
173.09415	0.5
173.13002	0.6
175.03914	0.5
175.08598	0.4
175.11974	0.5
176.06276	0.5
177.05482	1.9
177.06888	0.8
179.08525	0.6
179.11783	0.5
181.06444	0.4
181.09860	0.6
183.08012	1.0
183.11343	0.8
183.14911	12.0
184.08871	0.4
185.12807	0.4
185.16501	1.4
187.03886	1.1
187.10797	2.2
189.07031	0.4
191.14285	1.5
193.06473	5.5
193.08177	0.3
195.11382	0.4
197.05952	1.9
197.12813	7.3
198.06470	0.4
199.10942	0.5
203.04919	0.6
205.06386	1.8
207.08023	2.4
209.09167	0.6
209.15407	3.1
210.06714	0.4
211.05824	0.4
211.07506	2.4
211.10844	0.5
211.14388	6.0
213.01845	0.8
213.15959	1.2
215.13828	3.0
216.07700	1.2
217.04852	0.6
218.09021	0.4
221.05948	27.6
222.03136	0.8
222.06342	0.8
223.02760	0.6
223.07567	1.3
225.05423	2.2
225.16971	0.7
226.15373	0.7
227.10266	1.5
229.15376	0.6
230.11336	1.0
231.02835	1.5
231.04785	0.9
231.09741	0.5
233.05908	0.9
234.06709	1.6
235.07487	5.9
239.07004	6.2
243.08739	3.9
243.13208	0.5
245.11343	1.7
247.07603	0.5
247.12924	1.6
249.05438	32.5
250.06041	2.1
251.07043	1.4
252.07744	0.5
253.04936	1.1
259.03827	0.9
261.14389	4.3
262.06113	1.8
263.06998	3.9
264.07770	0.7
266.05676	0.8
267.06525	7.2
267.10190	2.0
271.97214	0.4
272.16211	2.5
273.16125	0.6
276.17108	0.4
277.04929	20.0
277.08139	0.9
278.05612	2.6
279.06442	3.4
280.07196	0.6
281.04413	0.9
282.17993	0.5
286.17389	0.4
291.06409	0.5
295.06018	62.7
295.09518	8.9
296.06366	1.6
296.09863	0.4
305.04425	2.8
305.08109	1.1
308.06641	0.5
310.17877	0.9
310.21259	3.2
313.06558	0.4
323.05493	60.3
323.09048	5.6
324.05664	1.1
340.14209	0.6
341.06503	9.1
341.12750	0.6
344.18069	1.1
358.19751	7.7
359.13400	2.7
376.09369	0.4
396.09366	0.6
439.10175	7.2
439.19867	0.5
456.31299	1.4
457.06921	11.4
457.26505	22.0
457.78860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01866	1.2
55.05508	2.9
56.05020	2.5
56.96543	0.4
57.03425	1.3
57.05812	0.6
57.87608	0.3
60.04513	2.0
60.05641	0.4
67.05500	0.7
68.05017	0.8
68.99797	0.3
69.03421	2.5
69.07056	1.7
69.79060	2.6
69.83083	0.4
70.02942	0.6
70.06580	100.0
71.01324	0.7
71.04964	0.7
71.06918	2.3
72.08141	23.0
73.02901	1.1
73.08454	0.4
74.00665	0.4
74.06047	1.9
75.75092	0.4
76.02269	0.4
79.05477	1.0
81.03406	3.2
81.07037	0.9
83.04977	0.6
83.06101	1.3
83.08624	0.5
84.04494	9.0
84.05001	0.4
84.08130	15.7
85.02883	3.3
85.08493	0.5
86.06055	0.6
86.09691	27.0
87.00837	0.4
87.05589	0.7
87.10019	0.9
88.03987	1.2
89.02322	0.4
89.03904	1.0
90.05536	0.5
91.05475	2.4
93.07043	0.6
94.06599	0.4
95.04959	2.0
95.06071	0.9
95.08578	0.8
96.08090	0.4
97.02898	1.6
97.06485	0.4
97.10199	0.4
98.06036	1.9
98.98456	1.3
99.04443	1.5
101.07130	1.5
101.10749	0.5
102.05536	3.2
103.05457	0.4
105.01828	0.4
105.07024	0.9
106.04947	0.4
106.06547	0.4
107.04932	6.1
109.02866	1.7
109.06495	0.8
109.10153	0.7
110.07144	9.4
111.07410	0.5
112.07591	0.6
112.08716	1.6
113.07117	0.6
114.09135	0.5
114.12671	0.4
115.03905	0.4
115.08679	1.3
116.07082	3.2
117.03372	1.3
119.04953	1.7
119.08565	0.4
120.08094	5.3
121.02879	0.7
121.06424	0.5
121.08431	0.4
121.10129	0.8
122.06033	0.4
123.04393	2.6
125.07104	0.5
126.05509	1.1
127.03904	1.7
127.08670	1.1
128.98648	0.4
129.06561	0.7
129.10217	8.8
129.28085	0.3
130.05013	2.6
130.06497	0.7
130.08630	0.8
130.10573	0.4
132.10152	0.4
133.02849	1.3
133.07655	0.5
133.10144	0.9
134.03648	0.9
135.04407	2.7
135.08110	0.4
136.07565	3.9
136.08562	0.6
137.02330	3.9
137.03294	0.6
137.05942	0.7
137.07959	0.6
138.06631	0.5
138.09129	0.7
141.06898	0.7
141.10181	0.8
143.08398	0.5
143.11786	1.5
144.10229	0.4
145.02835	2.0
145.04877	0.8
147.04388	5.3
147.05487	0.5
147.07664	0.9
147.11314	0.9
148.05992	4.0
149.02332	0.6
149.05962	0.5
149.07085	0.6
149.09634	0.7
151.03888	0.7
151.11148	1.2
153.06992	1.0
153.09067	0.6
155.08319	0.7
156.07646	0.4
157.07555	0.4
157.09709	0.7
157.13324	0.4
159.07703	0.4
159.09131	0.8
159.11308	0.5
161.02362	1.2
161.07089	1.7
162.03116	1.1
162.05492	0.6
162.09131	0.4
163.02518	0.8
163.03889	16.7
164.04228	1.9
165.06963	7.3
165.08264	0.6
169.06435	0.9
169.09659	0.7
169.13348	6.9
171.11374	1.1
172.08641	2.0
173.02325	3.8
173.09233	0.7
173.13123	0.6
175.03877	0.4
175.08702	0.5
177.05443	1.6
177.06834	0.8
179.08598	0.5
181.06247	0.6
181.09714	0.6
183.08014	0.6
183.11301	0.8
183.14909	11.9
185.09297	0.5
185.16444	1.9
187.03891	1.4
187.10760	2.5
189.07033	0.6
191.14305	1.4
193.06458	6.5
197.05962	1.1
197.12816	8.2
198.06482	0.4
201.12393	0.7
205.06448	1.7
207.07957	2.7
209.09290	0.5
209.15366	3.1
210.06735	0.6
211.07536	2.4
211.14371	5.3
213.01793	1.0
213.15982	1.3
215.13893	3.1
216.07683	1.5
217.04935	0.6
221.05940	25.4
223.07503	1.3
225.05470	2.0
226.11819	0.6
227.10164	1.9
229.15556	1.0
230.11391	1.1
231.02716	1.8
233.06027	0.8
234.06752	1.4
235.07491	6.2
236.08092	0.7
239.06985	6.7
243.08727	3.8
245.11351	1.5
247.12930	1.8
248.04942	0.4
249.05434	35.9
250.05984	2.2
251.07019	1.3
252.07848	1.2
253.04910	1.6
259.03848	0.9
261.14438	4.1
262.06305	1.7
263.06979	4.0
264.07672	0.7
266.05731	0.7
267.06534	7.0
267.10153	3.0
272.16019	2.1
273.16281	0.7
277.04916	20.3
277.08414	1.6
278.05618	2.4
279.06445	4.1
280.07285	0.8
281.04636	0.9
290.06003	0.4
291.06540	0.6
295.06003	61.4
295.09579	8.4
296.06384	1.6
305.04401	2.4
305.07886	0.8
310.17758	0.9
310.21228	2.9
313.07202	0.6
323.05484	59.9
323.09055	6.0
324.05862	1.5
340.14041	0.6
341.06509	9.7
341.12650	0.9
342.20288	0.6
344.18204	1.2
358.19693	9.1
359.13455	3.3
396.09586	1.0
406.22305	0.4
414.10596	0.6
421.09012	0.6
439.10202	6.9
439.19681	0.5
439.26239	0.5
456.28766	0.6
456.31989	0.8
456.77048	0.7
457.06918	11.0
457.26505	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	456.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.8
57.07067	14.0
58.06594	1.1
67.05491	1.8
67.23370	0.2
67.79465	0.2
68.05026	0.2
69.06722	0.3
69.07059	2.4
70.06581	13.1
71.08621	7.9
71.14764	0.6
72.08149	0.3
73.02907	1.4
79.05458	0.2
81.07048	2.4
83.08604	1.9
84.08145	0.2
85.10168	2.6
87.04459	1.8
88.07617	18.5
88.12659	0.2
89.06014	0.4
93.07014	0.6
95.08603	2.8
97.10125	0.9
102.09167	10.7
106.08647	0.4
107.08549	0.5
109.10159	1.3
111.11693	0.3
112.99945	0.3
121.10149	0.4
123.11703	0.4
135.11736	0.3
156.17508	0.5
169.02626	0.5
174.18489	0.3
181.75569	0.2
200.20067	45.4
201.20374	0.6
218.21100	4.1
227.19974	0.4
228.23183	0.5
235.54639	0.3
256.26239	0.3
283.26273	49.0
284.26666	1.4
456.44046	100.0
457.44443	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	456.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08454	0.2
52.84794	0.3
55.01860	0.3
55.05494	1.1
55.18410	0.2
56.05022	0.8
57.03423	0.2
60.04516	0.9
65.06364	0.2
66.65308	0.2
67.05488	0.4
68.05011	0.5
69.03434	0.4
69.07065	1.2
70.02925	0.4
70.06580	100.0
71.06919	1.5
71.75088	0.2
72.08143	12.8
73.02912	0.2
73.08472	0.2
74.06082	0.5
81.03467	0.3
81.07043	0.3
82.06576	0.3
83.06112	0.4
84.04492	4.7
84.08128	7.1
85.02910	0.6
86.06062	0.5
86.09692	19.4
87.04457	0.5
87.05576	0.3
87.10021	0.3
88.03973	0.5
89.03895	0.3
90.86588	0.3
91.05471	0.9
92.05814	0.3
95.04945	0.3
97.02905	0.2
98.06043	0.7
100.07604	0.3
101.07117	2.3
101.10807	0.3
102.05534	1.2
103.00044	0.2
104.05331	0.3
104.07099	0.8
104.21794	0.3
107.04939	0.9
109.10143	0.3
110.06062	0.3
110.06414	0.3
110.07146	2.6
111.07471	0.3
112.08723	0.5
113.07088	0.3
114.05498	0.3
115.08702	0.6
116.07062	1.5
117.03340	0.3
119.04947	0.8
120.08098	1.3
122.06044	0.4
124.07589	0.2
127.03930	0.4
127.08678	0.4
129.06606	0.3
129.10216	4.1
130.04965	1.6
130.08643	0.6
133.06046	0.4
135.04446	0.3
136.07556	2.3
141.10204	2.4
143.11755	1.8
144.06580	0.4
147.04402	2.0
147.07652	0.9
147.11356	0.3
148.05997	0.3
156.07669	0.4
157.13354	2.4
162.05475	0.4
163.03864	0.9
164.07036	0.3
167.08212	0.2
169.09711	1.8
169.13338	22.0
171.11287	0.7
173.09222	0.4
173.12869	0.3
175.10735	2.3
175.11983	0.3
177.05472	0.6
181.09605	0.4
183.14928	1.1
185.12834	1.6
185.16339	0.3
187.10751	5.2
188.10870	0.4
197.12822	12.3
199.10823	0.6
207.08072	0.5
211.14407	0.5
212.10289	0.4
213.08614	0.6
214.08551	0.3
215.13966	0.8
221.05978	0.3
226.11745	0.3
227.10211	0.8
228.10068	0.3
229.15480	0.7
230.11411	2.1
234.06685	0.3
235.07469	1.2
241.09714	0.8
242.10391	1.7
243.11127	0.6
244.12947	0.4
245.11314	0.8
246.18103	0.4
249.05505	0.3
252.07574	0.4
254.26225	0.3
255.11398	0.3
256.12012	1.1
258.10928	0.3
258.14432	0.3
263.07013	0.8
263.10330	0.2
267.10248	0.4
268.16553	0.8
272.16003	37.9
273.16312	0.6
274.10770	0.4
275.10236	0.3
277.08545	0.4
282.18033	1.7
284.11545	1.1
286.17599	1.7
293.11285	0.6
295.06091	0.5
295.09552	1.9
298.13934	0.7
301.11847	0.3
302.12613	2.8
303.13306	1.2
310.21338	0.4
323.05475	0.6
323.09131	1.2
335.12531	0.3
343.19678	2.2
353.25473	0.8
381.24741	0.8
456.15344	0.4
456.27933	2.3
457.25580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61346	0.8
52.98528	0.9
53.45660	0.7
55.05502	5.1
56.05031	5.0
56.96540	1.3
57.05799	0.8
58.99580	1.7
60.04505	4.5
61.01137	1.4
66.20924	0.8
67.05506	0.8
68.05008	1.5
69.03415	2.3
69.07050	2.5
70.02952	1.7
70.06583	100.0
71.04979	2.0
71.06923	2.2
71.71569	1.1
72.08147	41.7
73.02923	0.9
73.08465	0.8
74.00648	1.2
74.06065	6.1
75.07430	0.8
76.02225	2.0
80.04993	1.0
81.07037	0.9
83.06087	3.1
84.04493	17.7
84.08134	30.6
85.02892	2.7
85.04086	1.0
86.00628	1.8
86.06075	1.1
86.09694	28.4
87.04469	1.6
87.05573	2.4
88.02225	1.0
88.03976	2.8
89.03904	1.2
91.05457	3.6
93.04508	1.3
93.07005	1.1
95.04981	1.0
95.06083	1.3
96.04497	0.7
97.05261	0.7
97.06501	1.0
98.06032	1.8
99.05546	1.1
99.09199	1.7
100.02181	2.0
101.07104	2.4
102.05548	4.6
104.07082	1.0
105.06999	0.9
106.06447	0.7
107.04987	1.8
109.02836	1.3
109.10132	0.9
110.06011	1.1
110.07153	27.1
110.09669	0.8
112.08723	3.6
113.07099	1.0
115.08675	2.9
116.07086	2.2
117.03363	1.5
119.04906	1.7
120.01163	1.1
120.04410	1.0
120.08082	6.9
121.08434	1.4
122.06022	2.5
122.07114	0.8
123.04441	0.8
124.03912	0.7
124.07606	1.0
126.05466	0.8
127.03912	1.7
127.08608	1.4
128.10707	6.9
129.06604	1.5
129.10222	16.7
129.11105	1.7
130.04988	9.4
130.08578	1.2
132.01141	1.2
134.06010	0.9
135.04419	1.6
136.07562	7.6
137.09552	0.7
138.09134	1.4
139.08664	1.0
141.06664	0.7
141.10176	1.3
143.11803	1.7
145.02823	1.4
145.08553	1.3
146.02693	3.5
147.04399	6.5
147.07651	10.9
148.07506	0.9
152.07018	0.9
153.06578	1.0
155.08160	2.1
155.10483	0.8
155.11769	0.8
156.07664	14.5
158.09392	1.1
159.07643	1.0
162.05493	22.9
163.03865	6.9
163.13391	0.9
164.04156	1.0
164.07045	2.9
166.03214	1.4
169.09590	0.9
169.13348	6.3
173.12822	6.7
174.09245	1.1
175.08638	1.1
175.11961	1.0
177.05409	1.4
181.09711	1.0
182.08142	2.1
183.14914	4.4
184.07561	2.9
185.16469	1.1
186.09100	2.2
187.08606	1.3
187.10800	1.1
188.06982	1.1
189.10248	1.1
194.02678	2.6
197.12846	4.7
199.08792	0.9
201.10248	4.7
201.12346	4.6
202.08713	1.0
205.09688	1.5
207.07962	1.1
211.08662	1.1
211.14383	1.7
212.03828	0.9
212.07098	1.3
213.10274	1.0
215.08177	2.8
215.11926	1.2
215.13940	1.2
222.12294	1.0
225.10011	1.6
226.11812	0.9
226.15527	1.4
227.08189	2.4
227.11821	1.9
229.09694	18.4
230.08093	5.6
235.07555	2.1
235.11893	0.8
239.08194	1.4
240.03242	3.3
240.08980	1.1
240.13313	1.2
241.09795	2.3
243.11244	3.1
244.12904	19.6
245.09259	1.4
246.14516	0.9
249.05406	2.0
253.09602	2.3
255.11226	10.2
255.14099	1.6
257.09219	6.3
258.04300	2.8
258.07660	2.3
258.14096	0.9
263.07251	1.0
267.09998	1.0
271.05505	0.8
271.10736	5.7
272.09088	1.8
272.15851	1.9
273.02872	0.9
275.10303	7.7
276.08627	4.7
283.10663	2.4
284.11420	0.9
286.17578	1.1
288.07520	0.8
295.05966	2.3
295.09680	2.5
299.10287	4.0
300.08658	3.1
301.11795	12.4
302.12662	1.8
303.13150	1.3
310.21371	1.2
314.09418	1.5
315.08066	1.1
317.11499	3.7
318.09534	0.8
323.05502	1.9
323.09064	2.0
333.13110	1.4
335.12238	3.4
343.15778	0.9
343.20056	1.2
348.10132	1.9
357.21616	1.3
360.10062	2.6
374.11520	1.0
389.20142	1.3
402.10867	6.0
403.09134	1.1
408.12128	1.8
420.12192	47.0
421.10635	5.6
438.13388	10.5
439.11661	6.4
456.14703	2.5
456.28674	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	455.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50578	4.5
55.05491	15.6
67.05501	24.8
69.07054	50.3
71.42241	10.8
73.06519	6.0
74.39825	4.9
79.05463	5.5
81.07043	57.5
83.08615	14.6
91.05444	6.9
91.91975	5.1
93.07004	37.4
95.08018	9.1
95.08594	100.0
97.06486	7.0
97.10153	16.9
105.06993	16.3
107.08573	58.9
109.10146	89.2
111.11707	11.8
115.07542	20.8
119.08564	33.2
121.10122	59.5
123.11686	36.1
129.09070	6.7
133.10114	39.7
135.08052	10.6
135.11691	38.0
137.13251	29.2
145.10095	7.7
147.11655	18.2
149.09595	11.1
149.13226	20.3
157.12212	5.7
159.11655	7.4
161.09543	5.0
161.13242	17.9
163.11201	6.7
163.14819	17.7
167.10645	15.7
175.11118	9.5
175.14807	13.5
177.12881	7.1
177.16330	9.8
181.12149	14.9
189.16330	15.6
191.14313	6.5
191.17961	14.5
195.13747	6.8
201.16324	5.6
203.17831	10.3
205.19499	28.6
209.15314	5.2
217.19505	22.2
225.47160	5.4
229.19583	6.5
231.20956	12.9
237.18419	29.7
243.21077	5.4
245.22624	18.9
249.18436	9.0
251.19966	12.0
257.22739	8.6
263.19974	16.5
271.24194	16.2
285.25873	7.4
307.19876	5.1
317.24661	8.6
328.42911	5.8
440.09204	5.3
455.38937	68.9
456.39273	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	455.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.05499	24.3
57.07058	11.4
67.05492	39.4
69.07059	53.7
71.08626	4.4
71.59899	3.2
79.05473	23.2
81.07040	94.6
83.04984	2.2
83.08599	20.4
88.07625	2.6
91.05475	17.1
93.07020	45.6
94.89715	2.2
95.08590	100.0
97.06554	3.3
97.10124	10.9
101.06017	2.3
105.07006	31.6
107.08581	59.2
109.06499	3.8
109.10140	86.7
111.08083	4.4
111.11695	4.5
115.25627	2.2
117.07001	3.3
119.08566	53.1
121.06475	3.9
121.10126	52.5
123.08047	4.1
123.11683	56.2
131.08562	10.3
133.10103	39.2
135.08037	5.6
135.11662	42.8
137.09587	3.2
137.13231	12.3
142.41508	2.1
143.08554	6.6
143.10588	4.1
145.10106	15.6
147.08022	3.2
147.11673	33.8
149.09604	8.2
149.13231	27.5
151.11186	4.2
151.14784	3.7
153.09125	2.9
157.10065	4.3
159.11658	15.5
161.09575	6.3
161.13229	26.4
163.11174	9.5
163.14783	17.8
167.10658	5.1
169.10095	3.0
171.11690	5.2
172.78291	2.4
173.13220	14.4
175.11194	5.3
175.14775	16.9
177.12767	3.6
177.16367	10.0
179.17972	5.6
181.12209	4.7
185.13327	2.6
187.11143	2.7
187.14793	7.2
189.12727	2.4
189.16330	10.9
191.17949	8.2
193.15865	6.1
195.13791	8.9
197.13252	2.3
199.14859	2.4
201.12741	4.4
201.16357	5.7
203.14282	4.3
203.17926	15.8
205.19504	6.6
207.03372	2.3
209.15312	6.9
213.16432	3.1
215.14299	3.5
215.17961	8.1
217.19438	19.1
219.21049	5.2
221.15369	5.0
223.16997	5.5
227.17699	4.3
229.15565	2.7
231.21086	9.3
233.15295	2.9
235.16927	5.5
237.18532	2.9
245.19029	4.8
245.22601	9.8
249.18562	6.4
259.24271	4.3
263.19992	6.4
267.21161	2.1
271.24274	2.7
275.20068	2.9
277.21652	18.1
285.25766	2.7
289.21552	12.7
313.28934	2.9
317.24738	5.5
331.26389	3.8
343.26593	2.7
345.27887	6.3
363.30618	2.7
373.31161	4.5
373.56555	2.5
399.32581	7.0
455.38782	76.9
456.38855	3.3
456.44586	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	454.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12839	0.9
55.05490	3.0
56.72128	0.9
57.07065	43.6
59.04962	1.3
67.05499	2.0
69.07043	4.7
71.08619	33.3
73.06547	5.2
73.53754	1.0
81.07030	3.6
83.08598	3.5
85.09698	1.8
85.10169	26.3
86.93503	1.1
87.04446	3.2
89.06017	100.0
89.55232	1.0
91.05445	1.2
93.07018	1.6
95.08587	2.7
97.10127	4.1
98.98426	1.2
99.11714	3.8
105.03400	1.0
107.07049	4.9
107.08587	1.4
109.10144	1.8
111.11764	1.0
113.13226	1.3
117.09103	2.7
119.08569	1.4
121.10104	1.5
130.08601	3.5
133.08580	53.4
135.11641	1.3
141.16342	1.6
141.87651	1.1
149.13231	1.4
151.09776	1.2
155.17920	4.6
177.11212	21.3
194.25459	1.2
195.12291	2.9
196.95683	1.1
199.20573	3.3
221.13831	3.0
238.18024	7.3
238.20041	1.1
239.14745	7.0
240.23138	1.4
243.23157	11.6
283.17438	16.8
283.20303	1.5
287.25848	5.4
313.27258	1.3
325.49008	1.1
349.29053	1.7
372.78156	1.0
382.69507	1.3
437.34689	37.4
438.35297	1.5
454.33371	1.7
455.35269	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	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.5
52.17456	2.4
55.05495	8.8
56.69095	2.2
57.07060	3.7
67.05492	25.1
69.07059	12.9
70.06568	3.9
70.63455	2.5
71.78311	3.3
79.05486	14.7
81.07043	30.9
83.04981	5.9
83.08593	3.7
89.06015	2.4
91.05466	14.0
93.07040	19.7
95.08601	25.7
97.06517	2.7
97.10141	3.7
105.07024	15.8
107.08588	27.0
109.06524	2.6
109.10143	42.3
117.06989	4.1
119.08559	23.3
120.96637	9.2
121.10100	13.8
123.11687	5.7
125.09597	13.3
129.06953	2.3
131.08542	13.6
133.10115	14.1
135.11678	11.2
137.09618	3.0
143.08553	3.8
144.09344	2.7
145.10095	17.2
147.11693	12.0
149.09657	4.2
149.13243	8.1
157.10153	4.5
159.11684	17.1
161.09532	2.7
161.13242	7.1
163.11241	3.8
171.11629	3.6
172.65793	2.5
173.13257	9.1
174.89252	2.3
175.14816	6.3
177.12839	2.5
183.11688	2.8
185.13258	4.3
187.14821	5.0
189.16449	2.7
191.14317	4.1
195.00331	7.1
199.14859	4.0
201.16367	2.4
203.14333	5.4
203.17963	4.3
213.16435	3.9
215.18016	6.7
217.15948	6.2
220.17097	5.3
228.19643	3.6
231.17351	3.0
233.41095	2.4
238.18040	11.7
238.68181	10.4
239.18774	28.0
239.68913	3.6
240.19594	6.8
282.28012	3.2
283.28259	18.6
311.23477	2.9
314.27722	3.1
335.25986	11.1
337.25177	3.9
343.58975	2.2
355.26279	4.3
357.24216	4.1
360.72815	2.7
370.89194	2.4
375.25192	4.2
407.33145	3.4
419.33020	14.0
437.20609	8.3
437.28696	3.8
437.34134	40.4
455.15195	5.0
455.21658	100.0
455.35226	5.6
456.22101	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05305	0.3
55.05502	3.2
57.03433	7.1
57.07070	23.4
62.06062	0.5
67.05172	0.4
67.05497	5.0
69.07057	4.9
70.06556	0.4
71.04988	0.5
71.08623	16.2
71.49402	0.6
79.05463	0.9
81.07050	6.8
83.08611	5.2
84.66979	0.3
85.06548	0.4
85.10173	9.9
86.17390	0.3
87.04461	0.4
89.06029	2.0
91.05475	0.5
91.76018	0.3
93.07033	1.2
95.08595	9.4
97.10153	2.7
99.11700	0.5
103.07557	1.3
107.08559	0.8
108.08167	0.4
109.10141	4.5
111.11699	0.9
119.08601	0.4
120.96627	0.8
121.10129	0.7
123.11721	1.7
135.11713	0.5
136.17561	0.3
137.13217	0.4
145.10129	0.3
168.54335	0.3
216.06256	0.7
220.16937	0.5
238.17987	4.8
239.18602	0.3
239.23648	1.3
240.19588	0.3
257.24814	1.3
264.48520	0.3
282.27899	8.4
287.49094	0.3
294.35565	0.3
313.27325	100.0
314.27707	2.4
335.25723	0.4
390.57251	0.3
425.26437	0.3
438.49579	0.3
455.21622	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	454.2919
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
51.92137	1.0
54.67025	1.2
55.05488	1.7
56.24697	1.3
57.03415	4.2
57.06804	1.4
57.07067	21.9
61.65295	1.3
62.06077	25.4
67.05474	2.6
69.07047	2.6
69.56005	8.1
70.84512	1.3
71.08622	13.4
72.71725	1.2
81.07040	5.0
83.08595	4.3
85.10181	6.6
95.08576	8.9
97.10148	2.6
98.20792	2.6
98.98418	6.1
109.10154	3.6
155.00999	4.7
167.16780	1.4
174.15475	1.1
194.53381	1.2
198.05188	1.5
205.04839	1.2
216.06310	4.5
236.86542	1.1
257.24722	1.2
282.27872	11.4
313.27310	100.0
314.27530	1.8
337.98215	1.3
393.23972	6.5
436.28049	4.5
454.29034	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	454.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89515	1.1
55.05500	3.6
57.06794	2.0
57.07066	40.6
59.04991	1.6
61.79800	1.0
68.74388	1.0
69.07056	2.8
69.84937	7.3
71.08621	36.7
73.06551	5.1
81.07037	1.7
82.07368	1.1
83.08585	2.3
85.10170	27.4
87.04459	3.0
87.63206	1.3
89.06016	100.0
90.29323	1.1
91.07587	1.1
93.07019	1.6
95.08604	2.7
97.10141	3.8
98.21420	1.6
98.98441	1.6
99.11713	5.0
99.60646	1.1
101.20986	1.3
107.07047	5.3
107.08574	2.5
113.13262	2.1
117.09090	1.6
119.08543	1.1
121.10164	1.4
129.06953	1.3
129.31308	1.2
130.08588	5.2
133.08574	51.7
134.08870	1.2
134.25934	1.0
141.16348	1.5
145.09998	1.2
155.17973	3.4
159.11783	1.2
177.11205	19.5
195.12250	3.1
199.20576	4.6
221.13844	2.7
238.17982	3.5
239.14836	7.1
240.23126	1.6
243.23100	12.2
283.17474	18.1
287.25821	4.1
297.18973	1.8
307.55798	1.1
313.27362	2.2
339.27930	1.6
393.32263	1.4
437.34659	39.7
438.35095	1.6
454.33600	2.1
455.35205	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	453.3356
Annotation	Melliferone
Peak:m/z	Relative Intensity
55.05496	2.5
56.96549	0.9
57.07061	1.7
64.56675	0.8
67.05489	2.6
69.07061	7.3
79.05475	1.6
80.66484	0.7
81.07036	7.7
83.08604	2.2
91.05460	3.0
93.07028	5.2
95.04932	1.4
95.08597	9.0
97.10172	0.8
105.07014	2.7
107.08590	5.5
109.10136	5.9
111.11709	1.9
114.29097	0.6
118.42902	0.7
119.08562	3.2
121.06488	23.0
121.10104	5.8
123.08047	2.4
123.11690	11.0
131.08521	1.1
133.06454	0.7
133.10123	3.2
135.08029	6.1
135.11693	2.7
137.09613	2.3
137.13237	2.3
141.89432	0.6
142.07919	0.7
143.08592	1.4
145.10097	2.6
147.08026	1.3
147.11641	0.9
149.09595	1.1
149.13202	0.9
151.07430	0.8
151.14792	4.5
157.10107	1.9
159.08031	2.7
159.11688	3.2
161.09608	2.1
163.11195	0.7
163.14796	2.3
165.09062	1.4
167.31192	0.7
169.10045	0.8
171.11661	1.4
173.09581	4.0
173.13281	2.4
175.11145	1.5
175.14771	0.7
177.16373	2.5
177.48346	0.6
179.20615	0.6
185.09599	0.9
185.13281	1.1
187.11154	7.4
187.14845	0.8
189.16377	1.0
191.17903	0.9
197.13274	1.0
199.14890	1.3
201.12723	4.3
203.10684	1.3
211.14723	1.0
217.12198	0.9
217.15913	0.9
223.14835	1.1
227.14276	1.4
231.09436	0.9
231.17563	0.9
245.15388	4.7
259.16913	17.2
273.18512	3.2
285.18463	0.9
297.18509	1.1
297.22079	1.1
317.17929	4.0
325.21555	5.2
335.18857	2.0
339.23120	2.2
358.20642	1.0
395.29553	1.1
417.31708	2.4
435.32520	6.2
453.33615	100.0
454.33963	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	453.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.05508	32.2
57.07071	22.1
61.07972	3.3
66.83913	3.2
67.05496	49.4
69.07059	63.0
69.65172	9.5
69.65594	17.9
71.08620	11.4
76.42316	3.3
79.05486	35.0
81.07045	100.0
83.08605	24.7
86.56611	3.5
89.06028	10.2
91.05476	26.0
93.07039	62.4
95.04946	4.1
95.08591	97.4
97.10162	11.6
105.07024	61.7
107.08578	86.7
109.10139	90.1
110.29392	3.1
111.11697	7.9
113.00002	32.1
115.07538	3.9
116.39411	3.4
117.07031	7.9
119.08564	63.9
119.09365	5.2
121.10111	56.8
123.08036	4.2
123.11691	36.4
129.06975	5.8
129.09149	4.9
131.08542	23.9
133.08594	4.7
133.10117	50.1
135.08026	4.0
135.11682	39.2
137.09702	3.1
137.13255	17.2
143.08542	14.7
144.09322	4.2
144.35371	3.3
145.10094	40.8
147.11667	39.6
149.09572	6.3
149.13231	28.4
151.14806	5.1
155.08568	6.8
157.10130	15.9
158.10971	3.2
159.07942	4.3
159.11667	48.7
161.09651	7.1
161.13232	26.4
163.11180	6.9
163.14812	15.7
164.71628	3.1
167.08679	3.5
167.10681	6.0
169.02574	43.2
171.11678	15.0
173.09747	5.3
173.13225	23.4
175.11197	12.9
175.14825	21.4
177.12769	8.3
177.16371	7.6
181.12186	4.0
183.11690	7.9
185.13274	11.2
187.14861	12.3
189.12730	5.2
189.16376	10.1
191.17990	7.2
195.12024	3.6
195.13686	16.7
197.13345	6.4
199.11151	5.7
199.14828	11.0
201.12703	8.3
201.16360	13.7
203.17950	16.6
205.19560	4.8
209.15416	8.0
211.14769	5.8
213.16394	11.9
215.17926	14.6
217.19466	10.0
219.13815	3.8
221.15353	5.1
223.16959	5.6
227.17969	5.1
229.19449	12.4
231.21216	4.2
233.15413	7.1
235.16890	6.2
237.18474	4.0
239.14876	6.2
240.15282	4.6
241.19434	5.5
247.16862	5.8
249.18430	6.9
251.20172	3.7
255.21036	4.7
261.18420	6.3
269.22629	5.0
273.18665	3.6
275.20035	9.4
287.19919	10.8
301.21655	6.9
311.27267	3.8
315.23102	3.7
323.28009	3.4
329.24628	4.2
341.30325	17.2
357.94666	3.4
397.31335	4.9
453.37302	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.05503	14.5
57.07066	11.6
59.05004	2.0
63.44504	1.6
67.05501	23.8
69.07059	42.1
69.93711	10.7
71.08614	6.4
79.05479	7.2
81.07052	41.2
83.08623	15.6
85.10175	4.5
87.04459	2.3
89.06015	4.0
91.05481	7.6
93.07044	15.7
95.08595	43.0
97.10151	4.2
98.20801	2.7
99.08068	2.4
104.78962	1.8
105.07013	17.9
107.08583	22.1
109.06527	3.1
109.10141	40.0
111.11707	1.8
117.06992	3.2
119.08562	20.0
121.10125	14.5
123.11693	22.1
129.07013	4.6
131.08539	11.3
133.10153	11.3
135.11690	11.3
137.13237	7.6
141.06958	4.0
141.09052	2.9
142.07741	3.8
143.08562	13.2
145.10098	14.1
147.08075	4.5
147.11681	9.3
149.13255	6.8
155.08528	12.7
156.09441	2.1
157.10126	17.7
159.08035	5.2
159.11673	14.0
161.13243	6.8
163.14830	4.9
168.09349	2.8
169.10136	16.8
171.07985	2.4
171.11647	14.6
173.09535	3.6
173.13239	9.0
175.11298	2.1
175.14799	4.5
181.10120	7.4
183.11684	13.0
185.09631	6.1
185.13210	9.7
187.11232	2.6
187.14789	5.2
193.10095	2.8
195.11700	3.1
197.09698	2.9
197.13278	7.2
199.11224	7.3
199.14856	5.7
201.12694	2.9
203.17882	2.3
209.13303	5.1
211.11183	7.4
211.14731	8.8
212.12001	1.8
213.12764	3.4
213.16299	4.4
215.14368	3.3
215.17902	2.7
217.12193	3.3
219.13826	2.8
223.14720	4.1
223.26590	1.8
225.12715	6.9
225.16377	4.5
227.14191	3.2
227.17973	2.7
229.12234	3.2
231.13768	3.3
233.15364	5.2
235.15015	2.6
237.16400	2.6
238.17976	3.4
239.14397	2.7
239.18597	6.0
241.15887	3.2
243.13846	2.2
247.16940	5.1
253.15874	2.9
253.19583	3.4
257.15375	2.3
259.16922	2.2
261.18594	2.6
266.66440	1.9
267.17453	5.5
271.16879	4.7
273.18484	9.8
283.16995	2.8
285.18362	10.8
293.19043	1.9
299.19922	4.7
313.21579	4.1
321.25613	2.2
325.21780	2.1
327.22943	2.1
339.23242	3.8
339.28915	2.8
341.24756	4.1
377.28140	4.2
395.29373	4.8
419.32990	7.0
451.35693	100.0
452.35944	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	451.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38209	1.5
50.60833	1.3
53.24744	1.3
55.05498	21.1
57.03428	9.9
57.07068	11.1
65.79654	1.2
67.05495	13.1
69.07056	25.2
71.04972	1.4
71.08617	6.5
71.23168	1.6
71.23489	1.8
71.42722	1.2
79.05487	7.3
81.07039	21.4
81.75935	1.5
83.08594	18.9
85.10165	3.4
87.04484	1.7
89.06022	7.6
91.05473	1.6
93.07043	8.0
95.08588	16.0
97.06516	2.4
97.10145	12.3
99.08111	1.5
105.06960	1.9
107.08573	6.1
109.06496	1.5
109.10149	8.9
111.08043	3.4
111.11714	3.4
111.57718	1.3
112.99994	69.3
121.10099	8.5
123.11658	2.3
130.86720	1.4
133.08551	6.1
135.11668	6.2
149.13181	1.8
169.02586	59.7
178.48050	1.4
187.03610	2.9
236.79607	1.5
239.14886	9.0
265.25223	2.3
303.61496	1.5
339.28867	100.0
340.29272	8.0
451.35626	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	451.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.6
56.05021	0.7
57.05777	0.4
58.66965	0.3
60.04518	0.8
61.01192	0.3
69.07054	0.6
69.55890	2.4
69.56299	0.4
70.06585	6.9
71.06927	0.4
72.08145	45.6
74.06064	0.5
76.03152	0.3
83.06105	0.4
84.04482	1.2
84.08138	2.8
85.02898	0.4
85.08464	0.4
86.09693	37.7
87.05580	0.4
87.10030	0.4
91.05470	8.0
97.02886	0.4
102.05521	0.4
103.49762	0.3
104.05349	0.6
105.26426	0.3
107.04958	0.6
109.06480	0.5
110.07144	2.5
112.08722	0.4
115.08738	0.3
118.06512	0.5
119.04922	6.9
120.08088	4.9
121.06544	0.4
121.08368	0.4
122.07129	0.4
129.10236	2.8
130.10596	0.3
136.07559	100.0
137.07915	1.2
141.06657	0.4
143.11804	0.7
147.04424	0.4
157.09647	0.3
159.07707	0.4
163.45027	0.3
165.05544	0.4
169.06129	0.5
173.09174	0.5
175.10762	20.8
185.16470	2.6
186.08690	1.2
187.09052	0.5
189.12286	0.7
195.08792	0.7
196.45905	0.3
204.13791	1.1
213.15981	1.8
219.08058	0.3
235.14204	0.5
238.17897	0.5
246.17746	0.4
249.15948	38.4
250.16217	0.7
263.13776	0.8
277.15436	37.4
278.15637	0.7
287.05353	0.5
288.19040	1.2
292.16510	0.3
308.17117	0.4
331.20374	0.6
376.22290	3.2
451.25729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96642	0.3
56.05014	1.6
60.04510	0.9
60.05635	0.3
61.01115	0.5
67.05506	0.4
70.02949	0.3
70.06583	8.7
71.06117	0.6
71.75923	0.3
71.76317	0.3
72.07843	0.3
72.08149	3.7
74.06067	0.9
75.05595	4.3
84.04497	1.7
84.08135	3.8
85.02882	0.8
86.06087	0.5
86.09694	3.5
87.05579	11.0
88.03986	0.8
91.05473	1.7
91.28890	0.3
93.07037	0.7
95.04961	0.4
95.70486	0.4
97.02860	0.5
99.05560	3.6
101.07082	0.5
102.05545	0.9
103.05424	2.2
104.05320	1.8
104.07093	0.4
105.07007	0.6
110.07161	2.7
112.08727	0.6
113.36057	0.4
115.05032	16.2
116.07071	0.8
120.08089	100.0
121.08463	2.0
123.08067	0.5
125.03464	0.5
126.06660	0.5
127.04076	0.5
127.05020	12.2
129.10274	2.1
129.14288	0.4
130.05014	0.6
130.06557	0.4
132.08087	8.7
135.04417	0.4
136.07552	2.5
138.02193	1.3
140.07050	0.5
144.07730	1.4
147.04341	0.4
151.07509	3.5
152.07892	2.5
154.06079	1.9
156.07661	1.1
157.09735	0.5
160.07590	0.5
161.10696	0.7
163.03870	0.8
171.09076	0.5
172.07150	7.2
175.11789	0.4
177.10207	10.1
183.08769	1.1
184.07153	4.2
185.07256	0.4
189.10197	8.3
199.08571	0.4
200.06584	0.4
201.09785	5.5
205.09705	5.2
211.08192	0.6
217.09721	8.0
221.09517	0.4
223.10751	15.0
229.09273	10.2
233.09297	0.4
233.11464	0.4
234.12331	0.9
237.13417	0.5
246.12439	0.6
262.11810	3.0
274.11826	4.0
280.12827	2.4
291.14539	1.4
303.14429	0.5
313.12595	0.6
319.13846	0.9
330.15512	1.6
331.13773	3.9
331.57187	0.4
337.15192	1.9
341.12225	0.7
348.16629	27.4
348.61102	0.4
349.16895	0.7
358.14984	1.9
376.16138	13.8
376.20966	0.7
377.16763	0.5
405.18768	0.5
415.16861	0.5
433.18274	3.3
451.19016	3.6
451.27460	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	450.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.57228	0.4
55.05505	4.4
56.05022	2.3
57.05799	0.5
60.04518	1.0
60.05635	0.5
61.58065	0.3
66.20121	0.4
69.07069	0.5
70.06583	12.9
70.18342	1.7
71.04988	0.4
71.06909	0.5
72.08147	31.7
73.08476	0.6
74.06063	1.0
82.06572	0.5
84.04489	2.4
84.08131	54.2
85.02905	1.0
85.08454	0.8
86.06093	0.4
86.09695	3.6
87.05584	0.6
88.03990	0.8
91.05448	1.3
91.06026	0.3
93.07047	1.0
95.06078	0.4
97.02903	0.6
98.06008	0.3
101.10759	2.0
102.05537	1.6
103.05431	2.5
104.05336	0.5
106.46079	0.3
110.07161	2.3
112.07535	0.5
112.08730	1.4
114.05558	0.4
115.08709	1.1
116.07131	0.6
119.04927	0.5
120.08089	100.0
121.07683	0.4
121.08405	2.0
123.04424	0.3
124.07533	0.4
127.03867	0.6
129.10223	32.1
130.08627	30.6
130.10628	1.0
131.08916	0.5
136.07608	1.2
137.05925	0.4
139.08653	0.3
140.02583	0.3
141.10191	0.5
147.04404	0.9
147.11263	27.5
149.05893	0.3
155.08199	0.4
155.11845	0.4
157.09711	3.6
160.09436	0.3
161.09464	0.4
163.03806	0.5
167.07010	2.2
169.13452	0.4
173.09245	1.2
175.08755	0.4
177.10214	11.3
177.11743	0.6
187.08795	0.5
205.09834	0.8
208.10771	0.3
216.13567	0.4
231.15079	0.5
253.09273	0.5
259.14539	1.0
276.16968	2.1
277.15198	0.4
286.15637	0.4
287.05508	2.8
288.05829	6.8
288.18021	2.1
294.18091	8.2
294.21127	0.6
295.18469	0.6
304.16553	1.4
314.27890	0.4
316.16708	0.5
351.20239	7.0
352.20612	0.4
393.31042	0.4
422.28864	0.5
432.26056	1.2
442.27716	0.4
449.75830	0.5
450.27078	92.3
450.75757	0.7
451.27582	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	450.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.7
55.01854	2.6
55.05502	7.2
56.05027	8.8
57.03158	1.5
57.03427	27.1
57.05365	1.6
57.07076	1.5
58.06578	1.8
60.04512	7.5
61.01138	4.5
61.02917	12.6
65.03931	1.6
67.05476	1.2
68.05011	1.4
69.03416	25.1
69.07040	3.0
70.02929	2.1
70.06580	100.0
71.01324	2.5
71.04971	1.6
71.06908	7.0
71.58452	1.3
72.08143	54.0
73.02903	55.1
73.08472	10.6
74.05729	1.1
74.06069	12.4
75.06391	2.4
76.06557	0.9
79.94445	0.9
80.05009	1.2
81.03397	6.9
81.07040	1.3
82.06548	2.8
83.06084	2.2
84.04491	19.3
84.08125	40.5
85.02891	70.5
85.08465	1.7
86.09692	43.6
87.04438	4.2
87.05535	2.6
87.10009	4.6
88.03967	4.9
90.05549	1.7
91.03924	2.1
91.05458	20.5
93.04530	1.1
93.07030	5.1
95.04951	1.3
95.06094	1.2
96.08105	1.9
97.02877	41.6
98.02355	1.2
98.06026	2.2
99.04414	3.1
101.07108	4.5
101.10777	1.2
102.05524	5.7
103.05435	2.5
104.05323	7.4
105.04548	0.9
105.05598	1.6
105.07003	1.4
108.08038	1.5
109.02854	8.0
110.07152	14.3
110.09668	1.5
111.04418	1.4
112.07565	1.5
112.08700	4.1
113.07111	2.5
115.03911	35.7
115.08658	4.1
116.07071	2.4
117.06969	2.0
119.04929	3.1
120.06627	1.8
120.08083	25.8
121.06480	51.8
122.06029	1.6
123.04421	1.1
123.07996	1.3
124.07574	13.7
126.05492	3.6
127.03904	20.7
127.08648	2.6
128.07068	2.4
129.06607	1.8
129.10217	28.4
130.04979	5.0
130.06500	2.9
130.08623	8.7
131.08162	1.2
132.06535	1.9
132.08076	1.7
132.10217	2.5
133.02840	1.5
133.04953	7.7
133.05925	1.2
136.07542	11.4
136.08469	1.8
137.05856	1.3
137.07918	2.4
140.08195	1.3
141.10216	1.9
142.08670	1.1
144.06529	2.9
145.04938	26.7
145.06473	5.8
147.04411	2.3
147.07716	1.2
147.11261	6.6
148.06006	2.2
149.02301	1.3
149.06003	1.7
150.05475	2.5
150.07593	4.6
151.07567	1.9
152.06941	1.2
153.10220	1.2
155.11717	1.4
156.07664	1.3
157.06146	1.8
157.09718	2.9
158.10036	4.6
159.07951	4.2
159.09171	2.7
159.10284	1.3
162.07686	1.2
162.84357	1.3
163.03940	1.6
163.05962	8.7
163.07455	3.3
167.06996	2.6
167.08229	1.4
167.82680	1.0
169.06381	1.2
169.09705	2.5
169.13275	1.6
170.10153	1.1
171.07899	1.0
173.09229	1.3
173.12854	2.7
175.07437	5.6
177.10196	2.8
179.06999	1.4
185.09251	1.1
187.07448	18.8
187.10774	2.8
189.08987	1.6
190.09006	1.2
190.61920	1.2
197.12912	1.3
199.07512	1.4
201.12308	2.5
203.12056	5.2
204.12366	5.2
205.08488	14.6
215.10454	1.1
215.13882	13.6
216.10451	1.5
216.14201	10.3
217.08597	6.5
217.14479	1.6
219.13338	5.3
220.09142	1.4
220.13657	3.1
223.05934	3.3
229.08606	7.8
231.11647	5.6
232.11932	5.1
233.14935	2.0
234.15277	2.2
235.09645	6.0
235.15395	3.3
236.15607	1.3
241.06984	4.5
243.13374	2.8
244.13667	1.0
247.09627	9.2
247.12883	1.2
253.10762	3.1
259.08081	5.3
265.10629	7.7
267.11545	2.0
270.13419	2.2
276.17184	1.6
287.05432	7.4
288.05746	11.6
294.18097	1.5
295.10263	5.7
301.12573	2.1
304.05234	1.5
318.15506	2.3
319.15778	1.5
331.18674	1.6
333.17444	2.2
375.23294	1.1
432.23843	3.4
449.75269	4.0
450.27512	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	450.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01863	2.3
55.05500	5.1
56.05032	8.7
57.03424	19.4
57.05800	0.9
60.04507	6.6
60.42321	1.0
61.01134	3.8
61.02919	8.2
64.89999	0.8
65.03913	0.9
67.05495	1.8
68.05043	1.0
69.03416	19.8
69.07056	3.9
69.28634	1.0
69.68930	4.0
69.69348	2.3
70.02935	1.3
70.06582	100.0
71.01345	3.2
71.04977	3.0
71.06289	1.1
71.06911	5.6
72.08144	43.1
73.02904	41.8
73.08481	1.9
74.06059	4.6
76.02229	1.3
79.05478	1.3
80.65905	1.0
81.03395	5.8
81.07046	1.5
82.06569	1.7
83.04996	1.2
83.06080	3.4
84.04491	18.0
84.08128	34.0
85.02891	44.2
85.04866	1.3
85.06524	1.1
85.08463	1.0
86.06064	2.5
86.09692	46.2
87.04457	2.5
87.05584	3.9
87.10038	5.9
88.03993	3.2
91.03937	2.1
91.05466	15.0
93.07032	5.6
95.04967	2.3
95.06061	1.2
95.08592	2.5
96.04449	2.2
96.08109	1.5
97.02876	33.8
97.06522	1.2
98.06049	2.4
99.04443	2.4
101.07113	3.2
101.10773	1.0
102.05534	6.2
103.03964	1.7
103.05441	3.8
104.05321	6.9
105.05617	1.0
105.07021	2.8
106.04933	2.3
107.04948	2.4
107.08578	1.5
109.02852	5.1
109.06467	1.2
109.10078	1.2
110.06001	2.0
110.06319	0.9
110.07142	17.5
110.09671	1.2
112.07582	1.4
112.08701	2.9
113.07123	1.3
114.03736	1.0
114.05556	1.3
115.03168	1.9
115.03915	22.5
115.05130	1.0
115.08670	3.8
116.07078	2.2
117.06945	1.0
119.04923	2.0
119.08567	4.1
120.06666	1.9
120.08083	50.3
121.02863	1.1
121.06486	87.3
121.08395	3.2
121.10106	1.8
122.06946	1.3
123.04400	1.3
124.07581	2.8
126.09162	3.1
127.03891	14.6
127.08648	2.9
129.10217	18.8
130.04987	7.1
130.06543	2.1
130.08598	4.5
130.10564	1.1
131.08562	1.7
132.06532	2.3
132.08014	1.2
132.10158	1.9
133.04965	8.9
133.06122	3.3
133.10097	1.6
135.08095	4.8
136.07536	7.5
137.05975	1.7
138.09113	7.0
139.07524	19.2
139.08606	1.5
140.03413	1.3
140.07080	1.3
141.06610	1.1
141.10196	2.9
143.11745	1.3
144.06598	1.5
145.02855	1.1
145.04926	14.0
145.06436	4.3
147.04372	3.9
147.07613	7.8
147.11188	5.1
149.05992	2.9
149.09546	2.1
150.07626	4.2
151.06369	0.8
151.07516	6.5
155.08221	1.6
155.11736	6.2
156.07695	5.0
156.10176	36.9
157.09729	1.9
159.07959	3.3
159.09195	1.6
161.05959	1.2
161.09314	1.6
162.07674	1.3
163.03885	4.0
163.06018	6.3
163.07530	6.4
165.02501	1.1
167.07037	4.3
167.08240	2.1
167.10616	2.1
169.06398	1.1
169.09702	2.6
169.13280	1.0
170.06059	1.1
171.07820	1.4
171.11351	1.7
173.09264	1.2
173.12915	1.3
174.13306	1.0
175.07507	2.5
175.11992	1.0
175.14806	7.0
177.10242	2.2
179.06973	1.4
183.14893	1.5
185.09233	2.0
187.07465	6.9
189.08777	1.3
189.12369	1.9
197.10338	1.1
199.10762	1.5
199.14619	1.3
202.14420	1.8
205.08369	5.5
205.11710	1.2
213.08630	1.2
215.13878	1.6
217.08478	4.6
217.13597	2.1
217.15833	1.9
218.13814	1.1
219.11320	1.8
223.05998	2.6
229.08525	2.6
232.12840	1.5
235.09570	5.8
235.16960	3.1
241.07094	4.2
245.12994	1.4
246.14291	1.6
247.09634	7.7
249.12247	1.6
259.08096	4.3
265.10583	6.4
270.16925	1.0
271.11514	1.1
287.05460	3.7
288.05795	3.1
288.17853	1.2
294.14407	1.6
294.17899	1.3
295.10260	3.9
301.12738	6.7
304.05331	1.9
304.16312	1.1
318.15439	12.3
389.62521	0.8
391.08209	1.3
401.20187	1.2
432.21503	1.5
449.76120	1.2
450.21338	5.7
450.28070	9.8
450.76135	1.9
451.10059	2.4
451.21399	1.2
456.45584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	1.2
57.03427	0.5
61.02898	1.5
67.05482	1.2
67.19579	0.5
69.03407	1.9
69.07043	1.1
70.06581	3.9
70.75272	1.1
70.97627	0.4
71.04964	0.6
72.08139	2.3
79.05456	1.2
81.03409	0.5
81.07035	0.9
84.04503	0.5
84.08125	40.7
85.02895	4.9
85.06492	0.5
86.09690	30.8
91.03960	0.6
91.05453	1.5
93.07002	1.9
95.08568	0.7
96.29208	0.4
97.02902	2.1
101.10760	1.1
103.05444	3.6
105.07066	0.6
107.08530	0.6
108.19458	0.5
109.02872	0.6
110.07172	0.5
111.00777	0.5
119.08509	0.5
120.08077	100.0
121.02853	1.5
121.08411	1.5
121.91717	0.5
124.07542	0.5
125.17024	0.4
126.09164	0.6
127.03868	1.4
128.10695	9.8
129.10214	20.5
130.08612	19.8
131.08511	0.8
137.02292	0.5
145.04945	0.8
147.04373	1.0
147.11253	21.7
149.09630	0.6
153.01727	2.2
155.11748	0.6
156.10172	1.0
157.13367	0.5
165.01820	1.2
165.10121	0.5
173.13063	0.6
185.12785	0.5
196.00026	0.5
213.05424	1.0
220.16946	1.4
222.18372	0.6
223.37361	0.4
231.14891	0.7
233.16397	0.6
238.17938	2.0
239.18750	5.7
239.69064	2.3
239.71243	0.6
240.19493	4.5
244.09366	0.7
265.15173	0.5
276.16983	2.7
285.15878	0.8
287.05444	54.2
288.05850	4.6
294.18066	14.7
303.16901	1.2
372.27847	0.5
449.27527	64.7
450.27731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94299	0.3
55.05499	0.6
56.05007	0.3
59.64682	0.3
67.05485	0.7
69.03419	0.4
69.07047	1.2
70.06583	3.6
71.04987	0.4
72.08131	0.7
79.05487	0.5
81.07040	1.2
84.04498	0.7
84.08121	0.9
85.02900	1.2
86.09693	100.0
87.10024	1.7
91.05475	1.1
93.07051	1.6
95.04977	0.5
95.08597	1.0
97.02865	0.4
103.05468	0.9
105.07063	0.4
107.04954	0.5
107.08545	0.8
107.27162	0.3
109.06508	0.5
109.10137	0.9
110.07140	0.7
117.06919	0.3
120.08087	64.4
121.08449	1.0
121.10125	0.5
123.11716	0.6
127.03893	0.4
129.06999	0.4
129.10245	0.5
130.06538	0.6
131.08511	0.4
132.10193	2.1
143.11797	0.9
145.10130	0.4
150.89566	0.4
159.09201	0.7
162.10292	0.3
170.05914	0.5
171.11366	0.4
177.10208	29.3
178.10489	0.7
199.17987	0.4
205.09702	25.4
206.10121	0.8
210.34950	0.4
220.16945	0.7
222.18416	0.4
229.82788	0.5
233.16447	0.6
238.18001	2.7
239.18608	1.0
240.19548	1.4
245.18587	23.2
246.18947	0.7
261.15887	0.6
273.15970	3.3
279.17001	0.8
287.05478	3.9
290.18558	0.5
318.18088	10.7
337.77573	0.3
346.31659	0.4
394.34576	0.4
431.26257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.3
57.03427	10.0
57.07066	4.5
60.84283	0.9
63.18082	0.9
67.05495	32.0
68.08398	0.9
69.06714	1.5
69.07060	15.3
70.87791	2.5
71.04989	1.4
71.08608	1.1
79.05476	9.3
81.06572	2.0
81.07040	32.9
83.04949	0.9
83.08604	10.6
91.05446	5.2
93.07034	8.6
95.04982	1.7
95.08595	26.1
97.06511	1.1
97.10165	5.4
98.98447	2.3
105.07030	4.4
107.08587	5.1
109.10133	9.8
111.08100	1.4
111.11735	1.1
112.99999	70.6
119.08565	5.3
121.10121	4.7
123.11718	5.0
131.01077	1.4
133.10127	4.1
135.11661	1.9
136.99966	2.8
137.13261	1.4
147.11662	2.2
149.13219	2.4
155.01035	2.4
161.13203	1.4
163.14751	1.1
169.02586	50.6
175.14882	1.4
187.03624	6.1
189.16394	1.0
200.09186	0.9
245.22633	4.2
263.23630	7.6
313.27402	1.1
337.27313	100.0
338.27579	2.4
449.26462	2.0
461.57834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.93087	0.2
53.03928	0.5
53.99788	0.1
55.01854	0.5
57.03426	0.8
61.02915	1.7
65.03916	0.2
68.99776	0.5
69.03080	0.2
69.03419	3.1
69.61694	0.1
69.61917	0.6
69.62325	0.6
70.06554	0.4
71.04977	0.3
72.08139	0.2
73.02890	0.6
79.05464	0.2
81.03410	1.6
83.01336	0.1
83.22432	0.1
84.08131	0.9
85.02895	9.3
86.09673	0.6
87.04427	0.3
91.03934	0.4
97.02286	0.2
97.02875	3.3
99.04442	0.6
101.75537	0.1
105.03367	0.3
107.04951	0.4
109.02859	1.1
111.00775	0.7
120.08086	1.6
120.60659	0.1
121.02845	2.9
127.03903	1.5
129.10211	0.4
130.08621	0.2
133.02826	0.4
137.02306	1.0
145.04932	1.8
145.06497	0.4
147.04391	0.6
147.11269	0.3
153.01820	4.0
157.06479	0.4
165.01816	1.7
169.58020	0.1
171.04457	0.2
183.02898	0.9
185.05923	0.6
189.05441	0.2
189.76024	0.1
203.06902	0.1
213.05453	1.4
222.18408	0.2
231.06473	0.8
238.18004	0.2
239.18697	0.3
240.19576	1.2
240.69743	0.2
241.04875	1.0
258.05246	1.2
259.05896	0.4
269.04391	0.3
287.05460	100.0
288.05762	3.9
354.57513	0.2
449.27716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03946	0.4
55.01864	0.4
57.03432	0.8
61.02917	1.4
65.03922	0.1
68.99787	0.6
69.03418	3.4
70.06590	0.2
70.42204	0.2
70.42617	0.1
71.01373	0.1
71.04990	0.4
73.02898	0.4
79.05476	0.2
79.05910	0.1
81.03409	1.7
83.01323	0.2
84.08179	0.1
85.02891	9.8
86.09686	0.1
87.04451	0.3
91.03941	0.6
93.31107	0.1
94.84669	0.1
95.04958	0.2
96.08086	0.1
97.02877	3.1
98.89307	0.1
99.04457	0.5
103.05408	0.1
105.03383	0.3
107.04951	0.4
109.02861	1.2
111.00784	0.8
111.04409	0.2
120.08091	0.2
121.01969	0.2
121.02849	2.8
127.03891	1.8
129.07066	0.1
133.02797	0.5
135.04378	0.1
137.02332	0.8
141.06920	0.1
145.04936	1.7
145.06458	0.2
147.04396	0.6
153.01805	3.8
157.06451	0.5
161.05989	0.1
165.01814	1.7
166.14600	0.1
171.02946	0.2
171.04410	0.3
175.03903	0.1
177.05551	0.1
183.02870	0.9
185.05956	0.6
189.05460	0.2
197.05992	0.1
199.03839	0.1
203.03192	0.1
203.06981	0.1
213.05412	1.4
229.04964	0.1
231.06454	0.7
238.18109	0.1
239.18704	0.2
239.68921	0.2
240.19377	0.2
241.04878	0.7
243.06581	0.1
245.04291	0.1
258.05234	1.0
259.06018	0.4
268.54623	0.1
269.04453	0.2
287.05453	100.0
288.05798	2.4
299.05487	0.2
329.06442	0.2
353.06760	0.1
413.08316	0.1
456.30167	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	449.1071
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03922	0.4
55.01854	0.6
57.03414	0.6
61.02919	1.2
68.99780	0.5
69.03422	3.1
69.07054	0.3
70.06569	0.4
71.04981	0.3
72.08140	0.1
73.02898	0.5
79.05477	0.2
81.03407	1.7
83.01331	0.2
85.02892	8.3
86.09692	4.2
87.04443	0.4
91.03957	0.4
97.02881	3.2
98.20761	0.3
99.04436	0.4
99.36518	0.1
105.03339	0.2
107.04936	0.3
109.02888	1.0
111.00797	0.6
111.04439	0.2
112.03966	0.5
121.02845	2.7
122.03097	0.1
127.03878	1.7
133.02817	0.5
137.02342	0.7
143.11757	0.4
145.04935	1.5
145.06479	0.2
147.04391	0.6
153.01799	3.8
157.06454	0.5
165.01822	1.8
169.06117	0.2
171.04445	0.3
183.02867	1.0
185.05910	0.6
197.05911	0.2
203.06914	0.1
213.05438	1.3
223.70045	0.1
229.38121	0.2
231.06462	0.9
238.17975	0.4
241.04869	0.9
258.05231	1.1
259.06055	0.5
269.04449	0.2
272.16083	0.7
287.05453	100.0
288.05807	3.0
299.05585	0.3
300.15509	0.2
329.06378	0.2
353.06464	0.2
372.61166	0.2
413.08307	0.2
442.89749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39270	0.4
53.03942	0.4
55.01854	0.4
55.05506	2.5
56.05031	1.8
57.03422	0.6
58.06583	1.0
60.04509	1.1
61.01131	0.4
63.40119	0.3
67.05491	2.0
68.05018	0.7
69.03432	2.1
69.07056	2.5
70.02943	0.4
70.06587	18.0
70.44316	0.3
71.00111	0.6
71.00451	0.7
71.04961	0.4
71.06921	0.9
72.08149	7.0
73.02906	0.8
73.08496	0.6
74.06059	1.3
75.65773	0.4
76.04006	0.4
77.85509	0.3
79.05485	2.6
80.05009	0.8
81.07035	2.4
82.06575	1.3
83.04980	0.4
83.06103	0.6
84.04503	4.3
84.08134	6.7
85.01128	0.8
85.02905	3.0
85.08461	0.4
86.09700	15.0
86.10229	0.8
86.86219	0.3
87.04462	1.5
87.05592	1.0
87.10020	1.4
88.04003	1.2
91.05494	1.5
93.07054	2.3
94.06560	2.7
95.04971	0.5
95.08575	1.2
96.04482	2.1
96.08122	3.3
97.02887	1.0
97.06509	0.5
98.06064	0.5
101.07098	0.4
102.05528	1.7
104.05333	1.5
105.07043	1.5
106.06578	0.5
107.04989	0.4
107.07346	1.1
107.08600	1.1
108.08106	3.2
109.06519	0.4
109.08914	1.0
110.07158	1.8
110.09677	1.2
112.07672	0.5
112.08679	0.7
113.07091	0.5
114.09298	0.3
115.08707	0.4
116.07093	0.6
117.03384	0.6
117.07018	0.8
119.08576	1.4
120.08098	5.0
121.06534	0.4
121.10168	0.4
122.09660	2.0
123.08076	0.9
123.10360	0.4
124.07658	0.4
124.11227	1.1
127.03963	0.4
127.08691	0.6
127.09953	1.3
129.10223	2.9
130.05031	0.5
130.06494	0.5
130.08630	1.0
132.08160	0.9
132.10204	0.4
133.06125	1.2
133.10101	0.6
134.09592	0.6
136.07542	1.6
136.11238	1.0
138.09132	0.4
140.08157	0.4
140.10736	0.6
141.06638	0.6
141.10260	0.4
143.08551	0.4
143.11751	0.4
145.02887	1.3
145.10127	1.1
147.04439	0.5
147.11351	0.5
150.05739	0.5
154.06833	0.6
154.08652	1.5
155.08195	0.9
157.10098	0.7
157.13377	0.9
159.09169	0.6
163.11156	0.6
170.11797	0.7
173.09332	0.5
177.05475	3.5
185.13060	0.4
187.10829	0.5
189.08810	0.4
192.13916	0.5
195.06551	1.0
200.23630	0.4
201.12367	0.7
202.12753	0.4
203.10385	0.3
210.14848	0.4
211.15129	0.6
218.15454	1.0
220.16940	15.5
221.17297	0.5
228.19290	0.4
234.14888	0.6
236.16455	0.4
238.17984	11.1
239.18350	1.0
251.08925	0.5
256.19052	6.0
263.14166	0.5
268.13684	2.8
269.10193	1.1
280.19046	11.5
286.14685	9.0
286.17685	0.5
287.05557	1.0
298.20126	12.5
299.20676	0.5
303.04962	1.0
306.20581	2.2
310.20239	0.8
312.21597	0.5
322.20090	4.0
324.21719	2.9
328.21100	0.6
340.21173	6.7
350.19424	0.7
356.22513	1.9
356.72397	0.6
368.20770	1.9
412.19580	4.2
430.20715	20.9
431.20883	1.5
437.87750	0.4
448.21719	100.0
448.32361	3.3
449.21964	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	448.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01852	4.5
55.05502	8.4
56.05011	2.6
57.03425	2.0
60.04520	2.5
65.03949	2.6
67.05501	13.3
69.03429	7.8
69.07055	29.0
69.68703	12.4
70.06580	25.3
71.01360	1.9
71.04984	8.5
72.08146	6.1
76.38972	1.8
77.61016	2.1
79.05477	18.7
79.73473	1.7
81.03407	4.7
81.07046	20.2
83.04984	18.4
84.04476	4.4
84.08128	9.6
85.02900	15.6
85.06525	6.0
86.09694	20.7
91.05476	17.8
93.07042	27.3
94.06516	3.0
95.04949	10.0
95.08590	10.7
96.08127	2.9
97.02842	4.3
97.06519	32.8
97.10181	2.1
99.04445	18.0
101.05982	2.5
105.07018	37.9
107.04949	13.7
107.08577	25.9
108.08141	2.2
109.06502	14.6
109.10153	2.6
110.07166	4.5
111.04424	2.9
111.08072	2.5
113.06036	2.0
115.07606	2.5
116.07095	2.5
117.06995	6.8
119.04932	9.8
119.08575	13.2
120.08089	10.0
121.02790	3.4
121.06496	22.3
121.10110	14.4
122.09672	3.1
123.04379	2.4
123.08048	4.1
125.05986	40.3
126.06435	1.9
127.03898	2.1
127.07526	5.7
129.10260	4.8
130.07742	3.9
131.08556	17.8
131.22542	1.8
133.06468	7.9
133.10123	7.9
135.04407	1.8
135.08084	6.0
135.11684	6.5
136.07562	3.0
137.05957	7.3
139.07523	7.1
143.07027	59.3
143.08337	3.7
143.08572	3.7
144.09242	2.4
145.06470	5.0
145.10104	71.5
147.04413	3.0
147.11703	8.2
149.05939	2.2
149.09576	2.0
151.07500	7.0
155.07037	4.7
155.08424	3.4
157.10049	2.8
158.07263	5.6
159.08026	8.8
159.09229	2.0
159.11665	22.3
161.09673	2.8
161.13200	2.8
163.11162	100.0
169.10129	8.7
171.08072	2.8
172.08855	3.8
173.09598	51.5
175.07449	2.4
177.12752	5.6
179.08563	2.2
180.08727	2.9
181.12213	9.9
187.11154	50.4
189.12704	6.3
191.10625	32.4
197.09615	7.1
205.12218	64.6
207.13779	3.1
209.11731	5.1
215.10683	49.9
218.15558	2.7
220.16974	8.8
222.18425	10.3
223.13286	6.1
230.18306	2.0
233.11694	97.2
234.11946	3.1
238.17996	27.1
238.68130	11.8
239.18590	13.5
239.69006	2.5
240.19499	22.9
241.19728	4.7
246.17833	5.5
251.12755	59.3
259.68851	2.7
269.13818	36.9
272.18503	2.6
287.05441	24.4
303.04950	13.8
304.05411	4.2
317.77353	1.9
359.21039	3.3
447.74649	3.0
448.24695	8.3
449.10565	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	447.3829
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
54.86695	2.7
55.05254	3.4
55.05504	32.6
57.06786	3.8
57.07068	63.9
67.05489	5.0
69.07059	89.5
71.08623	52.3
71.75330	3.5
79.05485	4.5
80.26539	2.5
81.07047	11.8
81.51706	3.2
83.08607	60.6
85.10160	27.6
93.07006	3.7
93.96374	2.7
95.08590	15.2
97.10159	59.2
99.11719	4.7
107.08609	10.4
109.10144	6.7
111.11713	46.0
119.08564	3.9
121.10207	4.0
122.07304	2.4
125.13264	20.8
135.08054	11.7
137.09610	9.5
139.07550	20.3
139.14828	5.6
142.24615	3.1
149.02341	3.6
149.09637	11.8
151.07506	14.4
153.09094	9.2
163.07559	6.3
163.11221	6.9
165.09088	73.7
167.07047	4.8
169.08618	10.6
170.59538	2.8
177.09116	10.3
179.10657	5.0
181.08548	31.3
187.11258	3.5
191.10661	7.9
192.77332	2.8
205.12273	10.8
296.92996	2.8
343.46921	2.7
429.37170	38.4
447.38312	100.0
448.38757	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35079	0.5
55.05500	11.0
56.05027	9.1
57.05801	1.0
58.06589	6.9
62.01468	0.5
68.43948	0.6
69.07060	2.9
70.02949	1.4
70.06585	2.8
70.73698	1.6
72.08141	100.0
73.08472	0.8
74.06065	52.7
81.07053	0.5
82.06628	0.9
84.04482	6.2
84.08121	1.4
86.06064	1.0
86.09692	28.5
88.03973	4.1
98.09693	0.9
100.07607	1.8
101.07133	2.4
102.05500	0.6
110.06004	1.2
112.11227	2.0
124.07571	1.0
124.11192	1.5
125.07131	0.8
126.05487	5.1
127.08671	0.7
128.10704	0.8
129.06567	3.2
130.04994	2.0
132.10181	16.8
136.03850	0.6
138.05518	1.2
141.10283	0.7
141.13878	1.0
142.08600	1.0
142.12315	1.2
143.11781	2.8
144.06537	12.8
151.71060	0.6
153.06587	1.2
154.05035	1.4
154.13802	0.6
158.11765	2.1
159.11293	1.3
168.20647	0.6
169.09717	10.1
169.13354	4.8
170.09296	0.9
171.07635	2.3
173.09383	0.6
173.12857	1.8
187.10773	11.6
187.14380	11.3
188.26299	0.6
189.08644	6.9
197.12801	6.1
199.07121	1.4
201.12329	1.3
215.10283	22.2
215.13849	27.0
216.10617	0.6
216.14323	0.7
217.08171	9.9
217.10114	0.9
228.96225	0.6
233.14920	57.2
234.15324	1.4
243.13443	2.6
247.13040	1.6
270.14648	1.2
271.13000	1.3
272.12329	1.6
284.16110	3.9
298.13986	2.8
300.19199	1.5
316.14963	17.0
317.15247	0.7
330.16525	14.9
331.17175	0.9
334.15891	0.8
339.19962	1.3
342.20444	0.7
342.88461	0.7
348.17795	3.3
365.22046	1.8
383.22769	3.7
411.22290	6.6
412.27777	0.6
429.23367	21.4
430.23810	1.6
447.24576	2.0
450.06546	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01861	7.0
55.05502	19.4
56.05014	8.4
56.50271	2.3
56.51675	2.2
57.03422	5.0
58.06580	3.7
60.04531	2.8
61.01154	2.9
66.74198	2.3
67.05486	24.8
68.05006	2.8
69.03403	7.8
69.07057	26.3
70.06573	50.4
70.90393	5.9
70.90772	4.4
71.04973	13.9
72.08144	18.6
73.02911	2.6
74.06051	6.4
77.56950	2.9
79.05470	30.2
81.03411	4.3
81.06590	4.8
81.07038	63.8
82.06571	5.6
83.04965	26.2
83.08601	12.1
84.04487	6.3
84.08121	16.2
85.02887	23.4
85.06516	7.4
86.09169	2.6
86.09689	76.3
91.05454	26.3
93.07026	86.2
94.06562	3.5
95.01305	22.5
95.04955	25.4
95.08586	33.9
96.08096	3.1
97.02873	6.2
97.06512	46.9
99.04430	17.9
102.05518	3.9
103.05443	4.2
104.05297	7.8
105.07014	69.5
107.04937	8.9
107.08569	47.8
108.08100	5.5
109.02830	3.1
109.06499	35.5
109.10130	10.9
110.07149	5.3
111.04415	4.3
111.08063	25.5
113.02338	10.0
113.05983	3.9
115.05486	2.6
115.07573	2.7
117.06998	4.9
119.04922	4.9
119.08555	40.2
120.08070	22.3
121.06480	74.2
121.10103	9.0
122.09688	3.4
123.04391	8.4
123.08082	15.4
123.11673	12.7
125.05943	15.5
127.03913	8.4
127.07510	16.2
128.06259	3.8
129.01801	3.9
129.06969	5.5
129.10199	7.9
130.06509	13.4
131.08534	11.5
132.04431	6.3
132.08086	3.8
133.06445	6.3
133.10103	29.9
135.08047	29.0
136.07552	3.8
137.05940	9.2
137.09666	4.7
139.07509	38.3
140.07912	2.8
141.01808	33.1
141.05464	2.7
142.07759	7.3
143.07010	11.7
143.08511	7.0
145.05057	2.8
145.10034	12.3
147.04395	4.5
147.07994	9.7
147.11662	94.2
149.09523	3.9
149.13248	9.6
151.11153	6.3
153.09067	4.7
157.07542	10.3
157.08597	19.4
157.10100	23.1
158.06015	5.9
159.06554	3.7
159.09164	9.1
159.11615	3.0
160.07593	7.0
160.08847	4.3
161.09465	3.9
161.13275	12.8
163.11180	3.5
165.12706	49.9
166.07787	2.4
169.09799	4.0
169.12173	17.8
171.07570	2.9
171.11644	18.0
173.09525	7.7
173.13077	4.1
175.08727	5.1
175.11145	84.9
176.11531	2.8
177.03944	7.1
187.02367	4.7
189.12688	35.3
190.13116	2.6
191.14230	3.9
193.12210	100.0
194.12511	4.1
199.11130	25.8
201.03906	70.4
202.08640	6.6
207.13811	18.4
211.13274	50.8
217.12189	97.1
218.12506	3.8
219.11183	3.6
220.16930	11.4
222.18532	10.4
229.14363	14.0
233.11841	3.0
235.13240	85.2
236.13654	5.3
236.16183	2.8
238.17967	29.9
238.68286	5.5
239.18716	17.0
239.69052	5.5
240.19548	27.1
241.19931	3.9
244.18086	4.3
247.18475	4.6
253.14320	57.3
256.19022	2.9
271.14902	3.5
272.18594	3.5
288.17093	5.7
297.09552	2.8
299.13727	10.9
303.04871	23.4
309.44812	2.6
316.16486	14.6
334.17758	4.0
351.14346	5.6
365.15927	3.3
369.15549	3.5
375.14233	8.6
393.15387	26.1
394.15887	3.3
411.16400	50.0
438.80167	5.8
442.75711	2.7
446.73575	16.7
447.23865	17.5
447.73935	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	446.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.8
56.80365	0.4
57.07054	1.1
63.74901	0.4
64.80651	0.4
67.05499	2.3
69.06789	0.3
69.07058	3.6
70.07363	0.6
71.03226	1.0
71.08606	0.5
79.05488	0.7
79.55731	0.4
81.07053	2.1
82.07362	0.4
83.08607	1.9
85.10126	0.5
91.05466	0.6
93.07002	1.8
95.08581	1.7
97.10143	0.7
108.09338	0.5
109.10136	3.9
110.10464	0.5
117.43072	0.4
119.08549	2.9
121.06497	7.3
122.07275	1.2
123.08111	0.4
123.11677	0.4
128.36572	0.4
131.89214	0.4
135.08028	0.7
136.08815	12.4
137.09599	10.9
138.09935	0.4
149.05948	0.7
149.09543	2.0
152.08321	1.0
159.08043	0.4
159.11661	0.5
163.11142	1.1
164.08310	32.9
165.09088	100.0
166.09424	8.8
174.17560	0.4
177.09114	1.6
178.09654	0.7
179.10588	0.4
187.11195	0.8
189.09131	1.2
190.09875	0.9
191.10625	1.6
192.11024	0.5
203.10638	1.5
204.11053	0.5
205.12231	8.9
206.12599	1.1
219.13774	0.7
231.13705	0.4
417.16913	0.6
428.36423	52.9
429.36835	4.4
431.18463	0.6
446.20605	3.4
446.37473	37.1
447.21448	1.5
447.37888	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	446.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12078	0.4
52.91910	0.4
53.20314	0.4
55.05492	1.1
57.07065	0.8
57.45963	0.5
67.05485	1.7
68.05814	0.4
69.07058	2.9
69.61490	3.6
70.07413	0.5
79.05466	0.6
81.07044	1.8
83.08595	1.1
91.05460	0.7
93.07030	1.0
95.08574	0.8
96.08894	0.4
96.61942	0.4
97.10136	1.0
105.06996	0.5
105.64008	0.4
109.10129	3.2
110.19994	0.4
111.11712	0.5
113.72779	0.4
113.82088	0.4
118.94839	0.4
119.08553	1.5
121.06479	7.2
121.10134	0.7
131.83273	0.4
135.08017	0.6
136.08820	9.1
137.09608	8.6
149.09583	1.7
151.07504	0.7
152.08340	0.6
163.11285	0.5
164.08313	24.8
165.09094	80.1
166.09457	6.1
175.11166	0.6
176.11462	0.5
177.09065	1.7
187.11075	0.5
189.09026	1.1
190.09879	0.7
191.10666	0.9
203.08644	0.5
203.10619	1.2
205.12219	7.3
206.12560	0.9
219.13875	0.5
310.54941	0.5
346.28171	0.7
358.12814	0.6
359.12939	0.5
360.13098	0.5
361.14334	0.6
372.13599	0.6
373.14206	2.6
374.15118	1.5
375.15964	1.7
386.15393	0.8
387.15918	2.9
388.16498	4.8
389.17505	7.5
390.18292	1.4
400.17242	0.7
401.13147	1.0
401.18069	2.1
402.13943	1.2
402.18677	2.4
403.14676	0.8
403.19183	9.5
404.19998	4.3
405.35040	0.6
415.14883	2.0
416.15543	5.8
417.16293	8.0
417.21024	2.3
418.16754	1.1
418.22018	3.8
419.22263	11.8
428.36438	79.1
429.36734	4.3
430.17053	3.4
431.18173	14.3
432.18671	2.9
445.19647	2.4
446.20599	100.0
447.21579	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	446.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05006	1.0
69.03419	7.9
72.37545	0.5
86.06059	19.7
86.52677	0.4
87.04459	60.8
88.04789	0.7
94.11462	0.6
98.20731	1.4
104.07092	100.0
105.07409	0.8
113.94974	0.4
124.36980	0.5
176.67818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2595
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
53.03937	0.7
55.05495	3.0
56.05021	4.3
56.71190	0.5
57.03419	1.7
57.05801	0.5
58.06602	0.7
59.04989	16.2
60.04520	7.3
61.01134	1.2
67.05491	0.8
69.03411	1.7
69.07063	4.0
70.02932	1.4
70.06581	42.5
71.06907	2.2
71.08460	0.8
71.60922	0.5
72.08143	30.4
73.02876	0.6
73.08479	1.9
74.06066	7.5
75.95314	0.5
79.05472	1.1
81.03383	0.8
81.07039	1.0
83.04971	0.5
83.06089	1.3
84.04492	8.0
84.08125	14.6
85.02897	4.0
85.04018	0.6
85.08487	1.0
86.06052	0.8
86.09690	100.0
87.00826	0.5
87.05575	3.6
87.10001	2.6
88.03983	2.5
89.06016	12.9
90.05550	0.6
91.05441	2.0
91.05888	0.6
93.07009	0.6
95.08572	0.8
96.04453	0.6
96.08129	1.1
97.02892	1.0
98.02407	1.1
98.06052	1.5
101.07138	1.8
102.05531	2.6
103.03904	0.7
103.05402	0.6
103.07580	0.5
104.05295	2.8
104.07061	0.9
105.06602	1.7
106.05005	1.0
107.04924	0.7
107.07059	0.8
108.08070	0.8
109.02871	0.6
109.06497	0.8
109.07520	0.5
110.07130	4.8
110.09660	0.7
112.07615	0.6
112.08692	1.4
113.07104	1.4
113.10778	0.9
114.09100	0.6
115.08685	1.6
116.07082	2.1
116.27579	0.5
117.09122	1.9
119.04921	0.7
120.08080	5.6
121.08448	0.6
125.07139	0.5
126.05516	1.5
127.03889	1.6
127.07854	0.6
127.08659	3.3
129.06609	1.6
129.10226	11.1
130.05016	1.8
130.06496	1.2
130.08629	1.5
130.10573	0.8
131.08102	2.5
132.08118	0.7
132.10139	0.8
133.06061	4.3
133.08585	4.0
136.07503	4.1
138.09134	1.6
141.06572	1.4
141.10190	3.1
143.10771	0.6
143.11740	3.0
144.06461	0.8
145.04962	0.8
145.06036	0.6
147.07613	4.1
147.11275	1.1
150.05479	0.8
151.09628	11.5
151.10782	0.7
152.07053	1.3
155.08131	2.5
155.11798	2.0
156.07603	1.1
157.09735	1.2
159.07655	4.2
159.09161	2.8
159.11302	1.4
162.05522	0.7
162.07649	0.6
166.08556	0.6
167.08119	0.7
169.09714	1.3
169.13284	0.5
170.06133	0.8
171.11299	1.0
173.09309	1.2
173.12822	5.7
175.10692	3.4
180.06537	2.1
181.06097	1.2
183.11285	4.8
183.14824	0.8
185.16544	1.7
187.07138	0.7
187.10802	1.4
187.14499	0.7
189.08662	0.8
194.08066	0.7
198.08789	1.4
199.10834	0.5
200.13823	3.8
201.12320	6.6
205.11801	0.5
209.13853	4.1
210.06255	0.8
211.10774	2.1
213.12326	1.1
213.15977	1.5
215.14081	1.1
216.09804	4.4
217.08157	0.7
219.13438	4.8
220.16942	0.8
226.11903	1.0
226.15733	0.6
228.13370	13.6
229.11749	2.5
231.17093	1.8
233.14914	0.8
238.09427	0.6
240.13339	0.7
246.14445	4.6
254.15065	1.6
258.14453	1.1
267.15131	1.1
267.17981	21.4
269.15921	0.7
272.15991	7.4
272.18680	0.7
283.17694	1.0
284.09805	1.0
287.17221	1.0
296.19421	2.7
301.18860	0.6
311.16995	0.7
312.09415	0.7
315.16629	2.4
329.18250	0.8
333.17554	0.7
339.88034	0.7
341.16208	0.9
341.21829	2.0
343.23425	2.5
357.21194	0.6
371.22943	3.1
411.22577	0.9
428.19519	0.7
428.25070	1.6
429.23349	1.2
446.20590	2.4
446.26089	3.9
447.22888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05266	0.4
55.05498	4.1
57.07069	3.0
58.74734	0.2
67.05491	1.6
69.07058	8.6
70.88284	0.4
70.88618	0.5
70.97392	0.3
71.08624	1.5
71.08952	0.3
79.05462	0.7
81.06664	0.3
81.07043	3.4
83.08604	3.9
85.10151	0.7
91.05435	0.9
93.07041	1.6
95.08584	3.1
97.10144	2.5
105.06990	1.1
105.44347	0.3
107.08570	1.8
109.10150	2.4
111.11689	1.4
119.08521	1.1
121.06410	0.3
121.10131	1.5
122.07280	0.3
123.08056	0.6
123.11672	1.1
125.13208	0.4
131.08542	1.0
133.10095	0.9
135.08006	1.2
135.11630	0.8
136.08745	0.7
137.05984	0.4
137.09607	3.1
137.13243	0.3
139.07448	0.9
145.10033	0.6
149.09608	3.7
149.13225	0.9
151.07526	0.6
157.10042	0.3
159.11646	0.6
161.13193	0.4
163.11186	2.1
164.08311	2.0
165.09085	35.7
166.09450	0.4
173.09528	0.4
173.13278	0.3
173.54170	0.3
175.11134	1.3
177.09082	2.6
177.12753	0.4
179.10602	0.8
186.10353	0.3
187.11195	0.5
189.09065	1.2
189.12686	0.6
190.09793	0.6
191.10664	2.7
199.10995	0.3
199.14447	0.3
201.12640	0.8
203.10669	2.4
203.14185	0.3
205.12183	3.9
217.12149	0.5
219.13707	0.9
231.13692	0.8
245.15149	0.5
289.21536	0.7
301.21649	0.5
317.24670	0.3
331.26151	0.4
345.27798	1.0
359.13141	0.6
360.14532	0.4
361.15588	0.4
362.16122	0.4
370.13120	0.4
371.13196	0.6
371.29428	0.4
372.13644	1.6
373.14322	2.0
374.15338	0.6
384.14880	0.5
385.14545	0.6
386.15408	2.4
387.15994	6.7
388.16809	2.6
389.17560	1.5
399.16104	0.6
400.12436	0.4
400.17053	0.6
401.13626	1.2
401.17990	5.4
402.18375	4.1
403.19113	3.2
405.34897	0.4
409.34436	0.6
413.14050	0.4
414.14334	1.5
415.15213	11.4
416.15179	3.8
416.19925	1.8
417.16452	2.1
417.20532	3.4
418.21436	1.7
427.35617	7.5
428.16373	0.5
428.36484	6.1
429.11523	0.6
429.16837	7.9
430.17542	13.4
431.18375	6.0
443.18002	0.4
444.19037	1.3
445.19931	100.0
446.20590	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	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97590	0.9
53.23753	0.9
55.05506	8.9
57.07069	6.3
62.93896	0.7
64.76511	0.7
65.18417	0.7
67.05493	3.9
68.04704	0.9
69.06715	1.4
69.07059	20.1
70.53483	1.8
70.53875	1.2
71.08599	3.6
81.07030	8.0
83.04908	1.1
83.08602	13.3
83.60056	0.8
85.10151	1.7
85.53178	0.7
91.05428	1.6
93.07022	3.0
95.08587	6.2
97.10149	5.6
104.45316	0.9
105.07002	1.7
107.08557	4.2
109.10145	4.6
111.04527	1.0
111.11702	3.2
119.08556	2.7
121.10110	1.9
122.07279	0.9
123.11709	2.3
125.13152	1.0
128.80057	0.9
133.10062	0.8
135.08022	2.3
135.11639	2.2
137.09630	6.2
139.07483	2.2
141.23233	0.8
145.10106	0.9
147.11635	1.3
149.09584	9.1
149.13298	1.5
151.07541	1.0
157.10085	1.2
160.08865	0.9
161.09550	0.9
163.11165	6.5
164.08311	2.7
165.09091	100.0
171.11670	0.8
173.09616	1.6
173.13245	0.9
174.51892	1.1
175.07477	1.2
175.11171	3.2
176.08316	1.2
177.09056	4.9
177.12733	0.9
179.10585	1.3
187.11057	1.4
189.09055	2.4
189.12749	2.5
191.10660	6.4
199.11206	1.1
201.08961	0.9
201.12778	1.2
202.09755	1.0
203.10609	4.4
203.14281	2.6
205.12201	9.1
213.12901	1.0
216.11369	1.0
217.12100	1.6
219.13771	3.1
231.13695	3.2
245.15211	0.9
275.19931	1.2
289.21555	2.0
301.21585	1.1
331.26303	1.2
345.28107	2.1
371.29761	1.1
427.35599	11.2
428.36292	5.2
445.19873	7.5
445.29611	1.1
445.36694	3.3
446.20743	3.7
446.37558	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	445.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25258	0.3
55.05252	0.6
55.05503	7.2
56.05029	1.8
57.05792	0.6
60.04525	4.2
67.05508	0.9
68.04992	0.4
69.03434	0.3
69.07063	0.7
70.02955	0.6
70.06583	77.2
71.06918	1.7
71.74831	0.4
72.08145	100.0
73.04748	1.1
73.08475	1.1
74.00673	0.5
74.06071	0.9
75.01447	0.5
76.02217	0.5
81.04482	0.3
83.06096	0.7
84.04495	6.8
84.05004	0.4
84.08138	7.7
85.02895	0.8
85.08469	0.5
85.78677	0.3
86.06049	0.4
86.09698	16.7
87.05580	2.7
87.10032	0.8
88.03990	0.9
91.05828	3.3
95.05020	0.4
97.02918	0.5
98.06014	0.4
99.02664	0.9
101.07121	1.0
102.05529	3.4
103.05532	0.4
105.06606	0.4
106.76687	0.3
107.04963	0.7
110.07153	2.0
112.07588	0.4
112.08715	0.7
113.07140	0.3
115.08680	0.6
116.01642	0.7
116.07098	0.9
119.04951	1.0
120.08102	0.7
125.02259	0.3
125.07099	0.8
126.05511	0.6
126.12775	0.5
127.02174	0.4
127.08685	0.8
128.10695	1.7
129.06631	0.5
129.10228	3.6
130.04994	3.6
131.04903	0.8
133.06082	0.7
136.07549	2.6
137.07896	0.9
138.05490	2.6
140.07034	0.4
141.10242	0.4
143.08208	0.5
147.04419	1.1
147.07626	1.5
147.11346	0.4
148.04814	0.6
148.06026	12.0
149.07294	0.3
155.08202	0.5
156.07640	0.4
157.09694	0.9
159.07700	0.3
159.11250	0.4
162.02197	0.5
163.03915	0.4
167.05562	1.4
170.02708	4.1
171.14908	22.0
172.15221	0.6
173.12851	7.2
183.14857	1.0
185.09184	1.4
187.10699	0.6
187.14368	0.4
196.06023	0.5
197.12860	0.6
199.14395	22.1
199.25916	0.3
200.14482	0.4
201.12337	1.8
203.10248	0.6
209.06046	0.5
213.06871	1.2
213.08849	1.2
217.11790	0.4
225.04282	0.7
227.10330	0.6
229.11830	1.0
229.15474	0.5
235.14386	0.6
236.14691	1.0
245.11307	48.6
246.11639	1.2
246.14375	0.5
247.12871	34.5
248.13211	0.7
253.19099	1.5
261.14316	0.4
264.14438	0.4
275.72256	0.3
298.17804	0.7
298.21191	5.1
299.06836	0.9
312.15482	0.9
316.09525	1.8
317.09708	0.4
328.19989	0.7
341.02188	0.4
346.19720	0.6
358.73215	0.4
359.02777	2.5
370.10715	0.7
433.27786	0.6
434.28012	0.5
444.73544	0.7
445.16641	0.8
445.23581	4.1
446.25427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37724	0.2
55.05504	4.1
55.57378	0.2
56.05024	0.9
56.69066	0.2
57.05806	0.2
60.04523	0.5
65.03904	0.3
66.57101	0.2
69.07067	0.7
69.72818	1.9
70.06586	11.4
71.06918	0.5
71.22775	0.2
72.08147	42.2
73.08472	0.4
74.06059	0.7
84.04489	1.4
84.08134	12.2
86.09697	9.6
87.05599	0.4
87.10040	0.4
91.05468	9.3
95.04957	0.3
96.08103	0.2
101.07201	0.2
101.10773	0.5
102.05553	0.5
104.07038	0.3
107.04948	0.7
109.06506	0.3
110.07155	0.7
112.08685	0.3
116.07076	0.4
118.06518	0.4
119.04931	9.5
120.06558	0.4
120.08127	0.3
121.06465	0.5
122.06017	0.4
123.04433	1.0
127.08686	0.4
129.10231	8.7
130.04993	0.3
130.08688	0.4
132.08089	0.3
133.06071	1.8
136.07561	100.0
137.07913	1.3
139.08617	0.3
141.10236	0.5
147.04416	1.0
147.07646	0.3
152.14282	0.3
155.08220	0.5
155.91963	0.3
159.07646	0.3
163.03880	0.5
165.05464	2.7
169.13387	0.3
170.13945	0.3
171.11298	0.5
171.14911	0.4
173.12866	0.5
182.08122	5.0
183.14934	0.6
185.16458	2.3
190.12231	3.2
197.16487	0.6
201.12300	0.5
203.13884	0.5
208.10576	0.3
209.05916	0.5
213.15942	3.4
215.10245	0.4
224.17467	0.4
232.12878	3.0
235.14384	50.7
236.14592	0.9
242.18573	1.2
246.11479	0.3
263.13889	21.3
264.14099	0.3
274.13852	1.0
281.14923	3.4
288.12134	0.3
306.13409	0.6
312.22720	0.9
323.24387	0.3
327.70035	0.3
341.25299	1.2
359.02475	0.4
444.22028	0.7
444.32022	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	445.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81438	0.3
55.05502	1.1
56.05033	0.8
59.69614	0.3
60.04512	4.9
61.16539	0.3
66.87061	0.3
67.05505	0.7
68.05028	0.7
69.07066	0.4
69.70948	0.4
69.71360	1.4
70.02943	0.5
70.06579	100.0
71.06924	1.1
72.04485	0.3
72.08141	18.0
73.02893	0.4
73.04757	0.7
73.08482	0.4
74.00659	0.4
74.06068	1.0
75.01421	0.9
76.02220	0.4
76.15371	0.3
78.01699	0.3
83.06089	0.7
84.04494	4.0
84.08125	4.5
85.02893	0.7
86.09692	20.9
87.05585	3.4
87.10027	0.6
88.03968	1.1
91.05824	2.5
98.06058	0.5
98.21539	0.6
101.07128	0.8
101.91345	0.3
102.05521	1.5
104.05288	0.3
107.04914	0.4
110.06510	0.3
110.07112	1.7
112.08701	0.6
115.08739	0.3
116.01680	1.1
116.07078	0.4
119.04923	0.6
120.08114	0.5
125.07048	0.5
126.05506	0.4
126.19719	0.2
127.08680	0.5
128.10681	1.4
129.06555	0.4
129.10223	2.4
130.05019	1.6
136.07542	2.1
137.07896	0.5
138.05490	1.4
140.07030	0.5
141.10316	0.4
144.01143	0.8
144.06477	0.3
147.04381	0.7
147.06609	0.3
147.07617	1.6
148.06033	3.2
149.07291	0.5
155.08162	0.4
156.10283	0.3
157.09650	0.4
162.02190	1.6
163.03830	0.4
167.05519	1.0
168.04796	0.5
170.02696	0.9
171.11267	0.6
171.14897	2.0
173.12831	11.4
174.13228	0.4
183.11320	0.4
185.09160	2.5
187.14444	0.4
196.06035	1.0
199.10693	0.7
199.14410	2.3
199.18118	0.6
201.12296	2.6
203.10445	0.3
209.05962	0.7
213.06871	1.1
213.08810	1.2
215.13887	0.6
217.11786	0.6
219.09746	0.5
227.10236	0.6
227.17551	0.6
235.14272	0.5
236.14731	0.8
245.11293	77.3
246.11703	1.5
246.14076	0.3
246.55196	0.4
247.12885	3.9
284.15848	0.5
298.17783	0.3
298.21225	0.9
299.07056	0.6
311.09384	0.3
312.15390	1.6
316.09540	2.0
323.55389	0.4
341.81607	0.3
359.02673	1.6
360.03091	0.4
370.10678	0.7
445.22968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
67.05491	1.1
69.07050	1.0
69.49911	0.4
69.50239	4.1
70.06573	4.4
72.08136	0.7
81.07034	1.3
83.04960	0.5
84.04494	0.6
84.08127	1.8
85.02900	0.6
86.09709	2.5
89.06020	0.5
91.05436	0.8
93.07021	0.9
95.08595	1.1
98.21494	0.8
105.07024	0.9
107.07293	0.4
107.08564	0.4
108.08054	0.5
119.08564	0.7
120.08061	1.0
121.10094	0.6
129.10217	0.5
133.10040	0.6
136.07538	0.5
137.09659	0.6
140.04967	1.9
145.10098	0.8
147.04372	0.4
154.06509	0.8
155.06012	11.2
157.05379	0.4
157.07585	0.7
165.09103	4.3
166.06453	0.6
166.09467	1.2
167.06009	2.5
168.06837	1.8
169.04076	0.6
169.07587	21.7
170.05997	1.6
179.06032	7.3
180.06631	0.7
181.07626	2.4
182.05946	0.6
182.08313	0.7
182.50694	0.5
183.05504	11.7
183.07092	0.6
183.09148	1.0
184.07492	1.2
185.07138	5.1
192.06911	0.6
193.07596	6.6
194.06021	1.7
195.05524	15.4
196.06270	8.9
197.07079	18.7
198.05499	4.7
198.07347	0.9
199.04909	0.6
201.06520	1.0
207.05527	5.1
208.06279	1.5
209.07072	2.7
210.07703	0.9
211.05035	0.8
211.08650	4.2
213.06554	14.2
214.07007	0.5
220.16980	1.2
221.07060	12.1
222.07710	0.5
222.18512	0.6
223.05058	1.0
224.05933	0.6
225.06555	33.2
226.07095	0.8
227.08096	0.6
229.06049	15.3
237.06516	3.1
238.07428	2.7
238.18015	2.5
239.04506	3.2
239.08127	16.4
240.19582	2.3
241.06056	1.7
243.07614	5.0
249.06602	5.8
251.08075	0.7
253.05997	2.9
254.06645	0.6
255.07675	1.2
256.08582	0.7
257.05566	3.5
257.09048	0.6
265.06146	1.9
266.06769	1.2
267.07587	11.1
269.05640	2.8
271.07104	25.4
277.06027	8.3
283.07135	1.0
285.05444	0.7
285.08661	17.5
295.07095	27.6
296.07263	0.5
296.41159	0.4
304.19077	0.6
312.09875	0.8
313.08151	20.6
314.08365	0.7
331.09100	3.4
338.14972	3.5
342.87985	0.4
357.77502	1.2
362.15250	0.5
380.16086	6.4
384.15469	26.9
385.15915	0.6
398.17059	14.7
408.15533	0.7
426.16547	24.9
444.17615	100.0
445.17850	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	443.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	68.0
57.03427	21.9
57.07073	45.0
67.05505	42.6
69.07060	88.2
69.38521	40.6
71.04971	5.3
71.08633	20.3
75.09496	4.5
75.81558	3.6
78.23653	3.1
79.05489	18.7
81.07040	55.5
83.08607	64.9
85.10165	8.6
87.00827	33.8
91.05464	7.5
93.07027	30.7
95.08595	60.5
97.06520	13.1
97.10155	46.2
98.20715	6.4
99.08109	3.8
105.01836	10.9
105.07024	10.0
107.08596	28.9
109.10153	27.8
111.08075	7.4
111.11681	13.2
111.80559	3.7
112.09616	3.7
115.03927	4.1
119.08537	6.2
121.10129	34.8
123.11708	10.4
125.05975	4.7
125.09618	10.7
133.10159	6.1
135.11676	24.0
137.13268	4.1
139.07408	5.5
139.11128	4.5
143.03386	8.4
143.10579	4.0
145.10051	4.6
149.13213	18.7
151.14821	5.6
153.12770	5.6
161.13240	4.6
163.14812	12.1
167.14355	4.3
177.16377	4.8
185.15385	3.8
191.17931	5.5
193.25401	3.6
195.17467	4.4
235.48825	3.8
247.24153	27.3
265.25238	100.0
283.26233	71.0
305.24475	4.6
351.25323	10.3
357.29965	15.5
369.26520	19.2
425.28955	17.1
431.03537	4.0
443.29965	95.4
443.39270	6.2
444.29874	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	444.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97050	0.2
55.01847	0.4
55.05504	0.4
65.03917	1.2
69.03405	0.5
70.06583	4.0
71.04164	0.2
71.04511	0.4
78.01762	0.2
81.07025	0.5
84.08125	0.3
85.02909	0.3
86.09697	0.8
87.00816	0.6
91.05467	88.9
92.05801	1.2
92.06289	0.2
95.08624	0.2
97.02881	1.0
101.07122	0.2
105.52128	0.2
109.23019	0.2
115.03914	0.4
115.62197	0.2
118.06876	1.0
118.85384	0.2
119.08552	0.2
120.08099	0.4
130.06470	0.2
148.06169	3.6
159.09207	0.3
163.11201	0.2
209.08237	0.3
213.12509	0.2
220.16814	0.3
222.18517	0.4
224.86539	0.2
226.10844	100.0
227.11150	2.1
238.17947	1.3
240.19566	0.6
310.17603	0.5
356.76740	0.2
358.15045	0.4
400.16174	5.4
426.14072	0.3
434.77100	1.2
435.27048	1.0
444.15103	24.5
444.28497	0.7
445.15436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05022	0.4
57.05793	0.4
58.06577	0.3
60.04510	0.5
60.05639	7.0
67.05508	0.3
69.07055	8.8
69.45433	0.5
69.45860	1.1
70.06580	25.9
71.04964	0.2
71.06922	0.3
72.04511	0.3
72.08139	3.7
75.63102	0.2
76.02223	0.5
78.01801	0.6
82.06541	0.2
84.04496	0.8
84.08132	0.7
86.09692	100.0
87.10018	1.2
91.05478	0.4
93.07037	0.2
95.04971	0.2
95.06091	0.2
97.07621	0.6
98.05993	0.3
110.07143	0.3
112.08707	4.0
113.07102	0.7
114.10297	1.0
114.10998	0.2
115.08670	4.2
116.07073	8.2
118.01218	0.2
119.08522	0.2
120.08104	0.7
125.07066	0.2
125.47293	0.2
128.10698	17.7
129.10199	0.4
129.11099	0.3
130.09740	3.3
131.10254	0.2
131.11850	0.3
131.12898	0.2
133.09705	1.0
136.07561	0.5
143.08197	0.3
143.11792	0.2
147.04379	0.2
147.07738	0.1
155.11806	0.2
156.10176	1.3
156.11298	9.3
157.10844	0.6
158.09227	7.4
158.10544	0.3
164.01773	0.2
164.45993	0.2
171.11340	0.2
175.11877	18.6
176.12263	0.4
181.04404	0.4
183.14932	0.6
185.09116	0.3
196.06068	0.2
197.12807	0.2
199.18091	0.6
201.12343	0.4
211.14372	0.4
213.08786	0.3
217.11858	0.3
220.17029	0.4
226.15488	0.5
228.17117	0.3
229.15497	0.8
238.17987	2.9
238.68158	0.9
239.18288	0.4
242.14905	0.2
246.17996	0.2
251.17569	0.2
253.16631	0.6
254.15076	0.3
269.18585	0.8
271.17603	7.3
272.17868	0.2
288.20111	1.0
312.15448	0.3
373.92667	0.2
401.27713	0.4
425.28613	0.6
443.29706	99.8
444.29993	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	443.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26437	0.8
55.01846	1.4
55.05505	8.3
56.05015	3.5
57.03410	3.7
57.07066	1.0
58.99564	0.9
59.04993	1.1
60.04506	3.7
60.05610	1.0
61.02904	3.8
67.05492	4.1
68.04999	1.1
69.03416	14.5
69.07061	4.1
69.61790	7.6
70.02926	1.6
70.06583	100.0
71.04977	2.4
71.06910	4.3
72.07750	1.7
72.08145	31.3
73.02895	1.9
73.08448	1.5
74.02410	1.1
74.06058	3.0
79.05466	2.6
81.03408	4.9
81.07032	2.7
83.01297	0.9
83.04979	6.3
83.06091	2.9
84.04491	16.0
84.08135	25.3
85.02894	30.3
85.06520	2.4
85.08434	1.6
86.06052	2.1
86.09695	44.1
87.04443	1.9
87.05566	4.8
87.10030	2.1
88.03981	4.0
90.05506	0.8
91.03946	1.2
91.05467	8.9
93.04492	1.1
93.07051	4.6
95.04955	8.4
95.06028	0.9
95.08572	2.8
97.02884	12.0
97.06507	1.9
97.70518	0.8
98.06033	1.8
98.21570	1.9
99.04436	2.1
99.08057	1.2
100.02174	1.0
101.05988	3.2
101.07103	2.7
102.05513	4.0
103.05450	2.5
104.05316	1.6
105.07006	6.3
107.04942	1.8
107.08581	4.5
109.02859	4.1
109.06522	2.1
109.10143	6.1
110.06030	1.9
110.07162	9.1
111.04410	3.1
111.08091	0.9
112.07578	1.3
112.08685	2.4
113.07130	1.5
114.05518	2.0
115.08666	2.8
116.07097	7.9
117.06959	1.1
119.04954	2.5
119.07898	1.1
119.08585	9.4
120.08091	9.0
121.10136	8.1
122.06033	1.5
123.04420	1.5
123.08044	1.3
126.05482	1.4
127.03925	6.1
127.08657	2.1
129.06548	1.5
129.09264	1.0
129.10220	15.0
130.04968	4.8
130.07776	1.0
130.08626	1.6
131.04913	2.0
131.08534	3.1
133.06064	8.3
133.10097	3.5
134.04445	1.6
135.04376	1.1
135.08008	3.4
135.11653	2.1
136.07565	20.0
137.05988	1.5
137.07890	3.9
137.09599	6.3
138.09074	1.1
139.05003	1.2
139.08621	1.1
141.10190	1.4
142.07764	1.2
143.07298	0.7
143.08527	4.0
143.11714	2.3
143.66728	1.1
145.04918	4.0
145.10077	3.9
146.02675	1.9
147.03056	1.4
147.04356	2.1
147.07744	3.5
147.09148	1.2
147.11577	3.2
148.06001	2.5
149.05937	2.0
149.09561	1.9
151.07104	1.0
153.06624	0.8
155.08191	2.8
156.07535	1.3
157.10077	4.2
159.08043	17.5
159.11674	3.1
161.09543	4.5
161.13185	1.3
162.07597	0.9
163.11143	12.1
164.07021	1.9
165.09175	1.4
169.09933	1.4
169.13324	4.3
170.13808	1.0
171.11487	2.1
173.09399	2.4
175.11176	1.9
175.14799	1.4
177.05458	1.2
177.09035	5.0
179.10605	1.1
181.06122	1.0
181.09749	1.1
181.12177	5.8
182.07994	1.2
183.11438	1.9
183.14899	4.1
185.09459	1.3
185.13179	3.5
185.16496	3.7
187.11023	2.6
189.12700	1.3
197.12912	4.5
198.08864	1.0
199.14697	1.6
201.12579	2.4
203.14267	6.5
205.12204	2.0
207.08035	1.3
209.13199	2.5
211.14369	2.5
213.15953	1.7
215.14206	3.5
217.15810	2.0
219.13776	2.3
226.11774	1.0
227.14270	3.0
229.15504	1.2
231.09695	1.3
232.12839	1.1
233.15346	1.9
235.07240	1.1
235.14380	3.3
243.07846	1.4
244.12903	2.8
245.15334	15.7
247.13011	1.8
258.09821	0.9
259.12891	2.8
263.06909	2.1
263.13928	1.1
263.16388	25.7
270.10782	1.1
271.22592	1.0
281.08063	2.3
281.17480	8.1
283.14371	2.1
305.12070	1.1
309.07648	1.6
309.14648	1.0
344.17993	3.7
387.15320	1.9
400.71307	1.3
425.14838	0.9
442.58948	1.0
443.15335	1.9
443.23047	11.1
444.22815	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	443.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.06953	0.8
55.01867	2.1
55.05508	19.5
56.05024	4.6
57.03424	3.8
59.04998	4.7
60.04514	2.9
61.01132	1.3
61.02921	3.4
67.05491	3.1
68.05036	1.2
69.02850	1.0
69.03420	12.4
69.07067	4.1
69.70905	0.9
69.98414	0.9
70.00968	1.8
70.01379	4.6
70.02944	1.1
70.06586	100.0
71.01309	1.1
71.04984	2.8
71.06927	3.0
72.08150	39.4
73.02924	1.4
73.08456	1.0
74.06063	4.4
74.26655	0.8
76.02226	1.1
79.05495	4.1
81.03426	5.6
81.07064	7.1
82.06550	1.3
83.04966	18.8
83.06092	2.1
84.04491	12.2
84.07630	1.0
84.08138	22.9
85.02898	29.8
85.06535	4.5
85.08504	0.9
86.06051	1.7
86.09699	37.1
87.04459	2.2
87.05590	2.0
87.10050	2.5
88.03967	2.2
91.03951	1.5
91.05472	14.0
93.07036	9.2
95.04964	8.6
95.06088	1.0
95.08585	2.8
96.08115	1.4
97.02882	8.8
97.06536	2.9
98.06053	1.6
98.21408	1.2
99.04456	2.8
101.06007	12.3
102.05515	4.6
103.61478	1.2
104.05315	1.3
105.03383	1.8
105.07033	9.5
107.04951	2.3
107.08596	8.7
109.02856	3.8
109.06496	6.0
109.10166	2.6
110.07149	9.8
111.04423	1.8
111.07475	1.1
112.07632	1.2
112.08732	3.4
113.07106	2.0
113.09682	1.3
114.09131	5.1
115.08701	2.3
116.07097	4.5
117.07017	2.7
118.06480	1.0
119.04924	6.4
119.08569	10.1
120.08079	6.6
121.06493	2.8
121.10133	8.7
122.07173	1.4
123.04362	1.9
123.08067	3.0
125.06004	2.4
126.05453	1.0
127.03896	7.2
127.07651	1.1
127.08665	2.6
128.06232	1.3
129.10236	16.0
129.11140	1.8
130.04967	5.0
130.06494	1.1
130.08658	3.2
131.08566	1.6
133.06152	2.1
133.10141	6.1
135.04367	1.5
135.08076	3.8
135.11705	3.1
136.07571	51.6
137.05978	2.3
137.08003	1.0
137.09634	3.9
141.10254	1.6
143.08603	2.5
143.11833	3.0
145.02893	1.1
145.04955	3.8
145.06528	1.5
145.10098	8.0
147.04419	5.5
147.08044	9.4
147.11545	1.0
148.06039	2.1
149.09631	2.6
150.09166	1.1
151.07544	2.0
155.08252	1.4
156.07677	1.2
157.10045	3.0
159.08005	6.0
159.11696	3.7
161.09589	5.3
161.13213	2.0
163.03870	3.9
163.11176	38.8
164.07071	1.2
164.11571	1.3
165.05444	2.0
165.09157	1.5
169.09953	1.9
169.13297	4.6
171.11601	1.6
173.09312	1.0
173.13057	1.9
175.11185	1.0
175.14778	1.1
177.09105	6.2
179.10640	2.3
179.12766	1.1
181.12213	14.5
182.08134	2.8
183.14955	4.2
185.09479	1.6
185.13208	2.8
187.07544	1.2
187.11166	1.8
189.09071	2.0
189.12527	1.4
190.12254	1.6
191.14371	1.0
195.10173	1.2
197.12892	4.4
199.14767	1.3
201.12488	2.7
203.14259	3.5
205.12239	1.9
207.10185	6.8
211.14424	1.6
213.12463	1.0
215.14075	3.3
217.11763	8.0
219.13815	1.6
221.05835	1.3
226.15462	1.3
227.14246	2.3
233.15369	1.9
235.07666	1.3
235.14392	18.5
235.16632	1.6
245.15349	11.0
247.11105	1.4
256.13046	1.5
259.12894	1.3
263.13834	6.6
263.16376	30.6
281.14819	3.3
281.17502	17.3
281.92950	0.9
286.17749	4.6
301.19675	1.0
303.48303	1.1
323.15863	2.4
330.16275	1.4
341.21893	2.7
369.21515	1.2
425.21701	1.6
443.14438	2.3
443.22607	16.6
444.24075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03459	3.2
55.04239	2.4
56.05016	0.8
60.04498	0.9
61.02903	0.8
69.03398	1.4
70.02944	0.9
70.06578	11.9
70.93047	0.7
70.93382	0.9
71.06901	1.1
72.08151	3.0
74.06058	1.1
74.47649	0.5
80.05006	0.9
81.03440	0.6
81.04527	19.5
82.05305	7.2
83.06097	0.7
84.04474	1.4
84.08147	3.2
85.02899	2.2
86.09684	1.7
87.04430	0.8
87.05582	0.7
95.06049	0.9
97.02865	1.3
101.07150	0.8
102.05551	0.8
108.05583	1.4
109.02872	0.4
110.07156	4.5
114.03702	0.6
116.07067	1.8
122.07133	100.0
123.07916	88.1
124.08276	1.0
126.03719	0.5
128.21217	0.5
129.10228	1.5
130.08620	0.9
134.06924	0.5
136.06255	0.9
136.07593	1.3
144.04741	1.2
147.04361	0.4
155.08160	0.5
156.07619	0.7
160.04225	2.6
163.03943	2.3
165.07701	3.5
172.04282	1.7
196.63412	0.5
225.09860	2.5
234.98993	0.7
239.06985	0.7
252.97963	1.1
267.06433	2.5
281.10623	57.3
282.11032	1.8
298.50995	0.4
299.14496	0.5
300.14188	0.7
323.11679	1.1
327.01569	1.3
337.07553	0.5
338.18408	0.6
443.15894	90.6
444.16055	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	442.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22535	0.6
66.81423	0.6
68.05005	1.1
70.06579	69.4
70.14226	1.7
70.14639	1.5
71.06906	0.6
72.08131	2.1
72.36668	0.5
78.97018	0.6
84.04477	1.2
84.08125	3.7
86.09685	2.4
87.04441	1.1
98.21462	0.8
104.07066	2.1
107.23503	0.6
110.07169	1.6
114.05505	7.3
116.07072	100.0
117.07459	0.8
122.06008	6.4
122.06861	1.0
123.07912	0.7
129.10193	2.1
130.08621	0.8
135.04399	1.1
136.07558	11.1
140.07043	2.4
142.07687	0.6
146.02684	1.5
150.05505	0.9
152.07062	1.6
163.03886	1.6
164.07025	6.8
165.06947	1.5
167.08524	5.1
167.50754	0.7
177.07031	2.3
178.07767	2.6
179.08557	1.2
181.06378	0.6
181.10159	1.4
182.08122	2.0
184.04265	0.6
190.07652	0.7
191.08531	17.3
192.04745	1.0
193.10078	3.9
194.07291	1.0
195.08008	5.7
201.06929	1.0
202.07800	1.8
203.08516	3.2
205.06509	1.8
207.08081	1.8
208.08911	0.8
208.11142	0.7
209.09608	1.7
210.09267	1.2
218.07387	1.3
218.09572	1.3
219.07997	18.8
220.08974	0.6
221.09587	4.7
223.07565	2.4
224.10846	0.7
225.09164	0.7
225.11536	1.0
229.07556	1.1
236.10667	12.7
237.09157	1.0
238.12213	7.7
240.10138	10.0
243.08051	1.9
246.41933	0.7
253.13307	43.7
254.11647	8.9
254.13727	1.0
261.09079	1.4
264.10144	1.4
265.08597	0.7
267.11627	0.8
282.11215	9.8
299.13840	67.8
300.14349	2.1
303.13330	0.8
321.14307	0.8
362.13742	2.9
379.16461	11.7
396.18997	3.0
408.14462	1.6
424.15329	1.5
425.16992	12.0
425.21918	0.4
442.19788	50.7
443.20114	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	442.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.05014	0.9
58.99575	7.4
60.04512	1.1
67.05494	3.8
69.55572	4.0
69.56004	3.2
70.06580	38.7
71.06921	1.2
72.08137	9.2
74.00641	1.4
76.02217	2.5
79.05480	1.2
81.05743	0.8
84.04494	3.8
84.08118	6.0
86.09693	7.0
86.99052	6.1
87.05521	0.8
88.03975	2.3
91.05479	1.2
93.07030	1.1
94.06552	8.1
95.04982	1.2
95.08580	0.9
96.04469	6.8
96.08120	13.1
98.06043	3.6
98.20740	1.6
100.02187	38.8
102.00141	1.3
105.00072	12.6
109.75782	0.8
110.06061	1.0
110.07156	2.5
111.02628	1.4
111.09103	1.3
113.04217	1.8
115.08618	1.1
116.07099	2.3
119.04912	0.9
120.01113	2.1
120.08076	1.8
122.02762	1.0
122.06010	28.9
123.06882	1.1
124.07570	23.2
125.00502	0.9
126.05546	1.4
128.05276	1.0
129.10223	4.2
133.06114	3.2
136.07553	36.4
137.07945	1.2
138.05482	3.0
138.07971	1.2
138.09099	11.8
139.08659	3.1
140.07059	3.3
146.02684	100.0
147.02975	1.2
147.04396	0.8
148.00595	0.9
150.05492	2.1
154.03204	14.9
156.04790	4.8
164.07031	41.9
166.04997	2.0
169.13301	7.6
180.04703	4.9
182.08101	22.9
183.14929	3.0
184.11035	1.2
188.10672	1.3
197.07483	2.3
197.12804	2.8
198.09090	5.6
200.03761	1.4
202.12303	1.2
208.04204	1.2
211.14421	3.6
212.10629	4.3
215.11909	4.1
216.10156	2.8
226.05170	1.1
226.08676	2.0
229.13405	1.5
230.11652	3.2
232.12958	1.9
240.10220	3.4
243.07979	99.9
243.11198	14.7
244.08147	2.4
257.09833	2.0
257.12793	12.5
258.11148	8.8
276.12161	1.4
285.12317	23.6
286.10452	4.9
303.13330	34.3
304.11676	30.1
310.21219	2.0
321.14456	1.9
329.18164	3.1
335.10614	1.9
378.14713	5.3
398.51068	0.9
424.15298	44.6
425.15402	3.1
425.24002	1.2
442.16373	17.8
442.26392	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	441.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.05504	20.7
55.56292	2.0
57.07069	12.4
67.05497	38.9
69.07054	50.3
70.89315	6.7
71.08617	8.9
79.05478	25.3
81.07048	82.8
82.46889	1.9
83.04953	2.6
83.08611	22.5
87.04452	7.4
91.05466	17.3
93.07028	50.4
95.04989	4.1
95.08593	100.0
97.06557	4.7
97.10151	10.2
105.07009	32.6
107.08572	64.0
109.06517	2.3
109.10139	75.1
111.11721	3.9
116.07094	6.1
117.07030	4.5
119.08565	40.0
121.06490	3.2
121.10123	56.6
123.08067	5.1
123.11683	40.0
129.06941	2.7
130.22621	2.3
131.08508	9.2
132.51880	2.0
133.10101	32.8
135.08080	4.3
135.11667	29.7
137.13255	10.8
139.07533	2.2
143.08522	4.2
145.10112	15.9
147.11658	27.0
149.09601	5.0
149.13239	23.3
151.14818	6.9
153.09097	5.7
157.10107	4.2
159.11644	14.2
161.09642	3.7
161.13216	24.5
163.11172	5.5
163.14827	13.5
165.09067	3.6
167.10670	7.3
171.11559	3.2
172.44881	2.0
173.13231	7.8
175.11255	2.6
175.14839	13.7
177.12840	4.5
177.16357	4.1
181.12172	13.3
185.13248	2.1
187.14798	4.8
189.16330	10.6
191.07303	1.8
191.17979	5.7
193.12273	3.8
193.15944	6.1
195.13835	6.3
197.13312	2.0
199.14926	2.4
201.16391	4.4
203.17973	14.9
205.19586	6.7
205.53625	1.9
207.13718	4.7
207.17308	2.2
209.15331	4.8
212.14662	2.1
213.16403	2.2
215.17812	2.5
217.19478	14.6
219.21013	3.5
221.15378	6.4
223.16760	2.0
231.21075	9.9
235.16951	5.1
245.22615	7.7
249.18466	5.5
257.22574	3.3
263.19983	10.0
271.24039	2.3
275.20093	6.1
277.21619	2.1
285.25751	3.5
289.21631	4.4
303.23126	3.0
314.85916	1.8
315.23175	6.4
317.24640	3.5
329.24631	2.9
331.26291	6.2
335.25540	4.2
359.29517	5.1
385.30844	6.5
438.16464	2.2
441.37308	93.4
442.38040	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62828	1.8
53.03951	2.0
54.54311	1.7
55.05493	18.1
57.07063	9.3
64.43778	1.8
67.05493	36.9
69.07056	43.5
70.42911	3.8
70.43333	6.0
71.08618	5.4
72.08128	4.7
78.32155	2.1
79.05477	25.7
81.07041	86.9
83.04983	2.9
83.08608	21.6
85.06518	2.3
85.10173	3.0
87.04463	6.4
91.05461	17.6
93.07032	65.0
95.04990	2.6
95.08591	100.0
97.06556	2.9
97.10158	12.7
105.07012	45.5
107.08577	81.5
108.67578	2.1
109.06524	4.9
109.10137	87.3
111.11728	6.0
115.07565	2.4
119.08556	56.3
121.06519	5.1
121.10122	73.1
122.10493	2.6
123.08082	5.3
123.11691	34.3
129.09122	2.5
131.08565	6.8
133.10103	43.4
134.10509	2.3
135.08075	3.8
135.11668	39.4
137.09625	4.7
137.13216	10.9
139.07494	3.8
143.08565	3.6
145.10106	15.7
147.08087	2.8
147.11659	41.8
147.12756	3.3
149.09576	2.6
149.13226	48.9
151.14835	4.3
153.09109	3.4
157.10124	3.9
159.11670	18.9
161.09601	3.4
161.13249	33.1
163.11159	4.1
163.14748	12.9
167.10736	5.8
173.13274	11.0
175.14798	25.6
177.12775	4.8
177.16428	8.8
179.10658	2.8
179.14250	6.2
179.17934	2.0
181.12202	12.7
183.11787	1.9
185.13184	3.4
187.14861	5.4
189.12814	3.1
189.16383	19.9
190.30170	2.0
191.17903	12.2
193.12242	4.0
193.15880	8.7
195.13864	8.1
199.14780	2.6
201.16373	2.9
203.17921	36.3
205.19473	10.0
207.13716	2.4
209.15321	4.9
213.16541	2.5
215.17976	4.7
217.19493	26.6
219.21121	2.4
221.15442	3.3
223.16911	4.6
229.19518	2.7
231.21010	11.4
234.21878	2.1
235.16911	3.6
237.18555	3.2
245.22696	6.5
249.18489	6.4
251.20135	4.0
259.24466	2.3
261.18365	2.3
263.20016	10.6
275.20087	6.0
289.21613	3.4
303.23123	2.8
317.24753	3.1
331.26172	9.2
349.27512	2.9
367.29630	2.3
385.31119	7.1
423.31155	5.7
441.37347	95.3
442.37790	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	440.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	3.0
57.07065	31.7
59.69638	1.6
67.05503	2.5
69.07047	2.3
70.06578	1.9
70.71601	1.4
71.08622	26.7
71.67214	2.2
73.06546	7.2
81.07055	3.3
83.08604	5.8
85.10166	28.4
87.04466	3.0
89.06018	100.0
95.08602	2.3
99.11713	2.5
105.07057	3.5
107.07084	3.6
107.08578	2.6
112.96432	1.6
117.09129	2.8
130.08636	4.6
133.08586	46.3
134.08913	1.6
139.96663	1.5
141.16364	3.9
143.08603	2.0
177.11191	17.0
183.57175	1.9
185.18997	5.8
195.12338	2.6
221.13785	2.0
222.18019	2.0
229.21559	13.5
239.14842	3.4
273.24194	6.9
283.17477	22.0
423.33093	43.0
440.35950	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
52.23418	0.5
55.05484	1.8
59.04966	1.2
67.05490	3.9
69.03425	0.6
69.07063	3.7
69.59718	3.1
70.06585	3.5
71.42337	0.4
72.08110	0.9
76.62769	0.4
79.05450	1.6
81.06587	0.6
81.07040	8.1
82.06496	0.4
83.04958	0.5
83.08622	1.0
84.08103	1.8
84.93922	0.5
85.02907	0.6
85.06490	0.6
86.09689	1.2
87.04445	0.4
89.06004	1.0
91.05444	1.9
93.07029	3.0
95.04925	0.5
95.08591	4.9
97.06522	1.1
97.10130	0.6
105.07020	2.4
107.08569	3.3
109.06549	0.7
109.10142	6.6
110.07153	0.5
111.08070	0.8
111.11695	0.9
117.06992	0.5
119.08553	3.5
120.08090	0.7
121.10133	2.4
122.07249	0.8
123.08080	0.7
123.11683	4.9
125.05933	0.5
129.10179	0.7
131.08525	0.9
131.70773	0.5
133.10092	1.6
135.08008	2.0
135.11641	1.4
137.09599	9.3
137.13208	0.8
143.08499	0.5
145.10097	1.6
147.11668	1.6
149.09601	4.3
149.13260	0.9
151.07536	0.7
151.11064	0.7
153.09056	1.4
157.10069	1.0
159.11641	0.9
161.09644	0.7
163.07716	0.5
163.11143	1.3
165.09087	100.0
165.12720	4.0
166.09425	1.1
169.10081	0.5
171.11530	0.5
173.09566	0.6
173.13167	0.5
175.11150	1.1
177.09067	5.6
177.12569	0.5
187.11171	1.4
189.09079	1.4
189.12744	1.0
190.09851	0.7
191.10623	1.4
201.12578	0.8
203.10600	2.0
203.14284	0.5
205.12215	14.8
219.13853	0.5
220.16939	0.6
238.18004	1.2
240.19501	1.4
287.05420	0.7
289.25137	0.8
299.20020	1.0
303.19543	1.4
317.21011	3.4
423.32489	0.8
441.27026	0.9
441.33603	16.6
441.73929	0.5
451.17899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
52.47108	3.2
53.03927	3.5
55.05503	17.6
57.07070	11.9
62.64803	2.7
67.05489	26.8
69.07058	38.9
70.81803	7.8
71.01628	2.4
71.08618	6.3
79.05493	15.8
81.07044	62.3
83.08607	18.3
85.06538	3.6
86.09669	3.2
87.04456	7.5
91.05479	15.3
93.07030	42.5
93.50886	3.2
95.08594	82.0
96.08915	3.3
97.10133	13.7
101.06026	3.2
105.07016	33.7
107.08580	57.8
107.57949	2.7
109.10139	72.9
111.08073	4.6
111.11699	6.4
117.06999	4.0
119.08560	35.8
121.06520	3.9
121.10129	64.1
123.08099	3.1
123.11700	27.8
131.08582	4.8
133.10110	28.1
135.08057	5.1
135.11668	36.2
137.09584	2.9
137.13252	11.2
139.07457	2.7
143.08556	5.1
145.10077	15.1
147.11664	34.7
149.09605	4.6
149.13234	43.2
151.11169	3.1
151.14824	7.4
153.09149	4.3
155.87227	3.0
157.10172	4.9
159.11687	13.7
161.13226	27.1
161.14211	2.4
163.11185	8.5
163.14810	16.1
165.09067	4.1
167.08734	2.8
167.10678	6.1
171.11705	2.6
173.13257	9.2
175.11227	3.0
175.14795	18.1
177.12775	2.7
177.16426	9.4
181.12196	18.1
187.14899	3.9
189.16394	17.6
191.17918	14.8
193.15868	7.7
195.13852	9.0
201.16405	4.4
203.17941	31.6
205.19456	8.5
207.17464	2.7
209.15326	3.4
217.19482	31.4
221.15242	3.0
231.21053	13.2
235.17038	3.8
237.18500	6.2
245.22650	6.3
249.18655	4.0
263.20151	11.5
275.20032	5.1
282.18588	2.8
283.51611	2.8
285.25558	3.1
303.23032	3.1
331.26111	6.7
359.45981	2.6
385.31204	10.5
423.36551	5.8
441.24017	4.7
441.30408	7.0
441.37292	100.0
442.38007	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78871	2.8
55.05503	10.7
57.07063	9.7
63.35079	2.9
67.05488	18.9
69.07059	32.9
71.08619	4.9
71.63058	5.1
72.04507	5.4
79.05483	11.0
79.05923	2.5
81.07039	40.0
83.08609	14.4
89.06004	16.4
91.05479	11.4
93.07025	35.1
95.08592	62.7
97.09241	3.4
97.10137	5.0
100.34072	2.7
105.07018	37.3
107.08575	39.2
109.10132	48.8
117.06981	6.6
119.08566	38.5
121.10135	43.2
123.11695	21.4
129.07013	4.7
131.08517	14.4
133.08559	4.8
133.10086	26.0
135.11694	22.2
137.13248	10.6
143.08493	7.2
145.10130	18.5
147.07977	4.3
147.11658	23.4
149.13245	19.7
151.14859	3.1
157.10034	6.4
159.11691	20.3
161.13235	17.1
163.11183	5.7
163.14792	10.3
165.16249	3.3
167.10663	3.8
169.10190	3.4
171.11671	8.0
173.13283	16.3
175.11212	4.6
175.14830	10.9
177.09073	4.8
177.16338	4.7
179.10629	4.8
181.12210	8.5
183.11658	3.2
185.13239	5.8
187.14851	7.8
189.16347	8.5
191.17912	5.6
193.12283	3.7
195.13814	6.5
197.13208	3.4
199.11105	3.1
199.14844	5.4
201.16389	9.4
203.17946	12.1
205.12239	4.3
205.19479	4.5
208.77353	3.0
215.14326	3.2
215.18076	5.0
217.19562	7.7
219.13741	3.8
219.21094	4.5
221.15349	6.7
227.17914	3.4
229.19530	4.5
231.21169	3.7
233.15297	3.1
235.16928	6.2
239.14868	13.2
240.15237	10.5
249.18619	3.3
259.16797	3.4
261.18655	3.8
273.18539	9.8
287.20160	4.7
301.21667	3.9
313.27536	3.9
327.23242	4.3
357.27856	7.0
383.29413	4.8
439.35675	100.0
440.36011	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	440.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25556	0.7
58.99575	5.1
61.01141	0.9
70.06580	7.6
71.04980	0.7
71.13934	1.9
72.08138	0.9
76.02220	6.7
78.76334	0.7
80.81234	0.7
84.04486	1.6
84.08135	1.8
86.09702	2.4
86.99036	1.5
88.03981	0.8
96.04501	0.7
100.02197	7.1
100.84272	0.8
102.03765	0.8
105.00082	1.5
110.07123	1.2
119.24074	0.7
120.08083	1.3
122.06073	0.8
133.06081	0.9
136.07558	2.4
138.05399	1.4
142.03239	1.0
146.02701	6.3
150.03694	1.0
150.05486	1.5
152.01694	0.9
158.09566	0.9
160.36052	0.7
164.07097	1.3
166.03238	0.8
170.09698	1.4
172.07568	1.7
172.62140	0.7
175.08644	3.4
182.08127	1.0
186.09091	2.9
188.03813	1.5
189.10252	2.3
196.07584	2.5
198.09203	5.5
199.08585	1.1
200.07123	1.1
212.10818	0.8
213.10173	10.5
214.08617	4.5
214.10886	1.1
215.08005	1.1
215.11829	4.5
217.09711	2.8
226.07072	1.0
227.08128	1.8
227.11784	2.1
228.10358	0.8
231.11243	1.4
235.10750	6.9
239.08189	1.2
240.08771	3.9
241.09685	29.2
242.04625	1.8
242.08098	4.4
242.10382	1.5
243.09132	1.2
243.11330	16.7
254.06316	1.5
254.10480	2.6
255.11263	6.1
257.12860	1.0
258.12335	10.4
259.10754	24.8
260.09186	2.4
263.63101	0.9
271.08929	1.1
273.06863	0.9
273.12311	1.4
277.11655	0.9
283.10730	7.0
284.09030	1.8
284.13931	1.1
285.12296	11.5
286.09720	1.3
299.08456	2.3
300.10742	1.3
301.11792	27.8
302.10046	2.2
303.13382	3.7
316.11081	1.5
317.09973	1.4
317.13644	19.2
318.12595	3.8
319.12827	5.7
323.20102	0.9
362.11636	9.0
363.09943	5.1
378.14832	1.2
404.12732	15.5
405.11066	5.3
422.13760	100.0
423.12128	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	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03933	3.6
55.05502	14.4
57.07070	22.4
58.07385	2.5
59.04990	2.8
59.16700	2.0
64.62238	2.0
67.05495	26.1
69.07060	34.3
71.08624	12.9
71.39583	4.3
71.39934	2.3
72.08968	2.2
74.28419	1.9
79.05479	16.7
81.06588	3.9
81.07047	56.5
81.07527	3.0
83.04960	4.6
83.08619	14.8
85.10178	8.7
86.10500	2.1
89.06013	16.0
90.06335	4.1
91.05459	14.8
93.07029	42.3
95.04958	2.9
95.08594	63.1
95.09178	4.3
97.10151	5.6
99.11720	2.3
105.07021	32.8
107.08589	55.4
109.06496	3.3
109.10143	61.9
110.10457	2.4
111.08038	2.0
117.07007	7.2
119.08572	43.1
121.06533	3.9
121.10126	47.2
123.08045	3.4
123.11694	27.4
129.07002	4.3
131.08572	17.1
133.06401	2.4
133.08572	9.0
133.10103	28.1
135.08043	6.2
135.11664	26.4
137.09624	3.3
137.13257	9.8
143.08557	8.6
145.10098	24.4
147.08046	5.8
147.11661	29.4
149.09589	5.0
149.13226	20.4
151.14806	3.2
153.09094	11.9
157.10103	8.2
159.08107	2.3
159.11661	46.6
161.09644	5.1
161.13254	22.1
163.11186	5.5
163.14804	10.7
165.09142	2.6
167.10643	4.4
171.11678	8.3
173.13246	18.1
175.11205	4.3
175.14795	16.4
177.09048	3.0
177.12686	3.5
177.16394	3.6
179.10680	3.4
181.12228	14.2
183.11725	2.7
185.13213	3.8
187.14751	9.9
189.12793	2.7
189.16406	8.5
191.10713	3.1
191.14305	5.0
191.17984	5.0
193.15871	3.8
195.13817	7.5
199.14841	8.1
201.16402	9.9
203.17903	11.7
207.13824	6.3
209.15372	12.7
211.14748	2.8
213.16411	6.4
213.22105	2.6
214.22426	2.6
215.17952	15.8
217.12309	3.5
217.19521	10.7
219.13766	5.3
221.15390	6.5
229.19484	20.9
231.21085	9.0
233.15332	2.6
235.16917	5.8
237.18584	2.6
239.14885	10.3
240.15300	8.0
241.19604	3.1
243.21062	3.7
245.22594	5.7
247.17064	2.5
259.16849	2.3
259.24222	2.9
261.18478	5.5
269.22607	2.9
273.18478	6.1
283.23993	2.4
301.21689	2.7
327.23410	2.6
329.24786	3.1
338.62204	2.4
383.29480	6.6
421.34897	5.6
422.35321	4.1
439.35699	100.0
440.36148	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99197	2.6
53.03936	3.7
55.05505	13.8
57.07069	19.5
59.05003	4.7
66.33835	2.5
67.05498	29.9
69.07061	32.3
70.06474	14.0
71.08622	10.1
79.05478	21.2
81.07045	51.9
82.03333	2.4
83.08617	15.0
84.70240	2.5
85.06522	3.3
85.10172	5.2
89.06017	45.0
90.06374	9.4
91.05451	16.2
93.07030	45.1
95.04943	4.4
95.08591	100.0
97.06520	20.3
97.10175	9.3
105.07008	47.2
107.08573	71.5
107.09270	3.7
108.08907	4.0
109.06496	2.9
109.10145	58.3
109.10896	2.8
111.08016	2.8
117.07031	7.6
119.08562	64.3
121.06557	3.5
121.10119	59.5
123.08065	5.8
123.11687	22.1
125.09595	4.7
131.08543	15.3
133.08647	15.3
133.10110	50.5
134.08952	5.3
135.08060	5.4
135.11679	42.9
135.12692	3.9
137.09615	3.1
137.13257	8.2
139.07562	3.0
143.08559	6.5
145.10095	28.6
147.11664	47.4
149.13210	24.8
153.09157	9.8
157.10153	9.8
159.11636	24.8
161.13237	30.8
163.11188	3.8
163.14775	16.2
165.09099	2.8
167.10745	3.7
169.10063	4.0
171.11722	9.6
173.13251	16.3
175.14806	19.0
176.99260	2.9
177.11200	3.8
177.16475	10.8
181.12253	6.6
185.13324	5.8
187.14780	12.6
189.16357	34.6
191.17915	79.1
191.19508	5.3
193.12187	4.1
195.13794	3.9
199.14835	3.9
201.16298	22.3
203.17917	72.8
205.19458	21.7
209.15485	4.7
213.16409	4.7
215.11157	2.9
215.18048	11.8
217.15862	2.9
217.19456	15.5
221.19028	5.2
227.02756	3.2
229.19617	10.4
231.17555	3.9
231.21173	6.5
235.16911	7.2
239.14871	30.9
240.15233	23.3
245.22726	3.1
247.17009	7.5
249.18430	19.5
261.18616	3.1
281.22488	4.3
287.20599	2.8
311.23846	3.6
313.25241	4.7
329.24762	3.6
341.29614	4.6
393.35400	6.2
421.35281	13.6
422.35715	3.4
439.22473	13.8
439.35867	97.7
439.41693	6.1
440.36121	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	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34622	2.8
53.03945	3.7
55.05502	13.3
55.15993	2.6
57.07071	8.7
59.05004	5.6
65.83704	2.6
66.26720	2.7
67.05500	27.9
69.03416	13.0
69.07056	24.3
71.04967	3.4
71.66933	5.4
79.05479	22.7
81.07040	52.0
83.08617	13.7
85.10200	2.8
89.06011	8.9
91.05469	27.9
93.07031	61.4
93.07616	3.8
95.04958	4.6
95.08595	100.0
97.06504	27.6
97.10140	6.8
99.08099	3.1
105.07019	67.4
107.08582	95.7
109.06517	5.0
109.10139	83.5
111.08084	6.8
117.07001	8.7
119.08566	69.5
119.09316	2.2
121.10131	67.0
123.08047	5.7
123.11688	28.4
125.09609	24.8
127.11178	5.9
129.07005	3.3
131.08565	29.0
133.08600	5.6
133.10120	81.6
135.08049	3.7
135.11679	81.4
137.09569	3.0
137.13181	4.2
143.08556	10.6
144.09305	3.8
145.10109	61.6
145.11261	3.3
146.40839	2.9
147.11668	62.2
149.09616	3.5
149.13243	21.8
155.08459	3.0
157.10144	11.6
159.11667	70.3
161.13232	45.9
163.11157	9.4
163.14789	9.1
171.11658	15.2
173.13249	37.3
174.13612	3.1
175.14830	19.4
177.16368	11.6
183.11594	2.9
185.13255	9.4
187.14801	36.7
189.16405	30.0
191.14264	7.0
191.17950	12.4
192.29121	2.7
197.13152	4.6
199.14777	15.7
201.16365	96.7
201.18266	5.6
203.17929	54.8
203.19749	4.9
205.15871	5.2
211.14722	4.4
213.16440	21.1
215.17957	32.0
217.15797	9.6
217.19540	7.6
219.17422	20.5
227.17946	6.4
229.19356	3.5
231.17369	10.4
233.18997	7.0
239.14902	6.4
240.15276	10.2
241.19449	3.6
269.91147	2.8
286.89404	3.9
295.24268	5.0
301.46848	2.7
308.93433	4.1
313.25290	4.3
316.56149	2.5
337.28778	3.2
343.29944	3.1
355.29874	6.9
392.95892	3.8
403.33612	8.4
408.74570	2.9
421.34543	76.2
422.34735	4.9
439.35690	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3565
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.38802	1.5
55.05494	7.5
57.07059	6.5
57.75460	1.6
60.39400	1.8
67.05499	11.8
69.07053	18.8
71.08615	3.9
75.08465	1.5
79.05475	6.5
81.07045	29.5
83.04962	1.6
83.08624	9.7
85.10187	1.9
89.06007	8.7
91.05466	5.8
93.07023	13.3
95.04933	2.0
95.08593	44.6
97.10159	5.6
99.04409	3.3
101.06047	2.2
105.07011	10.0
107.08582	23.7
109.10149	29.8
111.11690	4.9
119.08559	17.3
120.05821	1.7
121.06454	2.3
121.10127	23.5
123.08060	2.4
123.11703	13.7
129.07033	2.1
131.08571	10.0
133.08607	3.4
133.10110	12.2
134.08923	2.3
135.11691	9.4
137.13255	8.8
143.08565	5.7
145.10085	14.7
147.11697	9.5
149.13240	5.6
151.14801	8.7
157.10075	10.3
159.11674	16.9
161.09641	3.1
161.13251	5.2
163.11154	1.7
163.14807	7.7
165.09145	2.1
169.02602	2.2
171.11659	10.8
173.09605	2.3
173.13234	14.2
175.14824	7.4
177.16359	6.4
183.11639	2.9
185.13286	10.4
186.13980	1.8
187.14787	7.7
189.16356	3.3
191.17938	2.9
199.11102	2.0
199.14880	6.5
201.16386	7.0
203.17981	3.9
207.13683	3.2
209.15364	5.2
213.12767	3.4
213.16400	5.1
215.14311	3.0
215.17941	4.8
217.12286	2.6
217.19470	3.5
219.13811	1.9
219.17459	7.3
227.14246	4.5
227.17975	2.5
231.21146	3.0
233.15211	4.1
239.14835	4.5
240.15242	6.7
241.19540	3.1
245.15358	4.0
245.22694	7.2
247.16971	2.4
261.18454	2.7
269.22632	6.2
273.18439	7.0
275.20090	8.2
283.24149	4.3
286.89490	2.0
287.20145	5.6
288.79419	1.9
297.25784	4.8
301.21613	6.0
311.27203	2.9
315.23007	2.5
323.27362	2.0
339.30460	7.1
379.29562	2.2
383.29306	4.1
392.95551	3.1
397.30942	13.0
421.34720	3.3
439.35706	100.0
440.29953	2.0
440.35916	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	439.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00182	0.4
53.03932	0.5
55.05495	1.4
56.05030	3.3
56.07268	0.4
57.03406	0.4
58.96526	0.4
58.99580	0.7
60.04512	4.9
61.01125	0.6
67.05499	0.8
68.05008	0.7
69.03414	0.9
69.07052	2.4
70.02941	0.7
70.06582	33.6
71.04973	0.9
71.06911	1.6
71.48310	0.9
72.07738	0.6
72.08142	9.7
74.06065	1.1
76.02209	1.2
78.63499	0.4
81.03392	0.5
81.04516	1.7
81.07067	0.7
82.05320	0.7
83.06096	7.9
84.04499	4.9
84.08131	14.0
85.02882	1.2
85.08472	0.5
86.09692	30.7
86.99030	0.5
87.05573	2.4
87.10018	0.7
88.03967	0.7
91.05458	2.3
93.04514	6.2
93.07030	0.7
94.06545	0.5
95.06071	8.5
95.08534	0.5
96.04456	0.6
97.02869	0.8
98.06043	1.8
100.02190	0.7
101.07130	0.5
102.03713	0.4
102.05522	0.9
104.05328	1.1
105.07014	0.5
106.04989	0.7
107.04946	0.8
109.10159	1.0
110.07149	100.0
111.07484	0.7
112.08711	1.4
113.07089	0.7
115.05490	0.4
115.08669	0.9
116.07086	1.7
119.04919	1.4
119.08534	0.4
120.05620	0.5
120.08093	7.8
121.04015	0.5
122.06070	0.5
122.07133	1.1
123.05522	0.8
125.02366	0.6
126.05511	1.0
126.09106	0.4
127.03935	0.7
127.08661	1.8
129.06601	0.7
129.10233	7.0
130.04942	0.8
130.06499	0.6
130.08597	0.5
133.06339	0.4
136.07559	15.1
138.05562	0.5
138.06609	5.2
141.10275	0.7
143.10455	0.4
143.11790	1.1
144.08044	0.8
146.02675	0.9
147.04416	1.2
147.07686	0.8
147.11340	0.5
148.07520	0.5
149.47943	0.4
150.05562	0.7
153.06581	0.4
155.08171	1.4
156.07709	1.3
157.06128	0.7
159.09091	0.4
160.07628	0.5
161.10777	0.6
162.09169	0.8
162.54041	0.4
163.03886	1.0
164.07048	11.0
166.06146	1.2
167.08116	3.0
167.11798	0.8
167.22749	0.4
171.11282	0.8
172.07492	0.6
173.12880	3.0
175.11951	0.5
176.07083	0.6
178.13367	24.6
182.08101	9.9
183.14943	1.2
186.09137	0.5
189.12411	1.7
193.09781	0.4
195.07594	0.6
195.11420	0.5
198.09253	0.7
199.10818	0.5
199.18089	1.7
201.12337	1.4
203.10231	0.5
203.89743	0.4
204.06610	0.5
205.11813	0.7
206.12883	2.4
207.11298	1.9
213.10168	1.3
214.08646	0.5
215.11888	0.5
221.09354	0.9
222.07634	1.2
223.10835	1.8
223.15506	29.7
226.11911	0.8
226.15619	0.7
227.11832	0.6
227.17593	1.4
234.12376	1.6
235.10732	2.5
239.10304	1.7
240.08951	0.8
241.09729	4.7
242.08192	0.6
242.10654	0.5
243.09189	0.7
243.11206	2.6
244.12968	0.7
251.15002	48.4
252.15387	0.8
255.11217	0.6
257.12604	0.4
258.12354	1.1
259.10782	2.9
259.14551	0.7
260.09280	0.8
277.15582	0.4
283.11044	0.5
284.08917	0.6
285.12372	1.5
299.08453	0.7
301.11780	4.0
301.20120	0.5
302.20840	1.1
317.13657	1.9
318.22900	0.7
319.12936	1.1
328.21439	0.5
331.20618	0.7
334.17529	0.6
345.20258	0.7
346.22345	7.4
346.26242	0.7
362.11624	0.9
364.23389	6.0
367.13565	0.5
385.30508	0.4
389.72546	0.8
390.22794	0.9
403.14929	0.6
404.12650	2.3
405.11353	0.6
421.20724	0.6
421.25653	1.9
422.13739	12.4
423.12430	1.4
439.15482	0.7
439.21613	0.8
439.26675	17.1
440.27087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92616	0.3
53.03935	0.9
55.01868	0.5
55.05265	0.3
55.05497	2.0
57.01995	0.3
57.07056	0.5
57.74574	0.3
65.03933	0.5
67.05493	3.5
67.59951	0.3
68.99792	0.4
69.03416	5.6
69.07056	1.5
69.77673	0.3
70.06597	1.0
70.73891	0.3
71.01104	0.4
71.01434	0.8
79.05480	5.1
81.03407	1.3
81.07041	5.2
83.04981	2.1
83.08578	0.5
85.02883	2.3
86.09702	0.5
87.00814	1.1
91.05473	4.9
92.87325	0.3
93.07034	3.5
95.04951	3.4
95.08619	1.6
96.05205	0.3
97.02876	1.4
97.06534	0.4
99.04437	0.3
103.05490	0.3
105.01859	1.2
105.07014	6.6
107.04943	3.3
107.08582	17.1
109.02862	1.8
109.06488	2.9
109.10146	7.3
109.10901	0.4
111.04479	0.3
111.08074	0.5
115.05421	1.4
117.07007	1.8
118.07778	0.5
119.06039	0.4
119.08571	3.3
121.06487	1.9
121.10132	11.8
122.07270	5.6
123.08047	1.2
127.03904	3.6
129.01828	0.4
131.08556	2.5
133.10112	100.0
134.10428	1.8
135.08049	6.4
135.11696	1.2
137.05977	0.8
137.09596	50.0
138.09959	1.0
143.08513	1.0
145.04959	0.6
145.10138	1.8
145.11116	0.4
147.08026	0.6
147.11659	1.8
149.09589	4.5
149.13237	8.2
151.11182	0.4
158.10880	1.0
159.08133	0.3
159.11617	0.4
161.09514	0.4
161.13307	0.5
163.11168	0.4
163.14764	1.9
171.11562	0.5
173.13245	5.8
175.11166	0.5
177.12698	0.3
187.11183	0.6
189.12674	0.9
191.14282	43.1
192.14665	0.8
201.12857	0.4
203.14368	0.6
213.03902	0.7
220.16911	0.6
231.04979	1.0
231.13712	0.4
233.15240	0.5
238.17899	1.7
240.19501	0.6
317.17279	0.3
335.18622	0.6
403.17310	0.6
421.18286	0.7
438.73749	0.7
439.19592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15376	0.2
53.03944	0.9
55.01585	0.2
55.01855	0.5
55.05500	2.0
57.03434	0.5
57.07056	0.8
61.02930	0.3
65.03929	0.6
67.05484	2.9
68.99739	0.3
69.03035	0.3
69.03413	5.4
69.07055	1.7
69.69423	0.4
69.69832	1.1
70.06573	2.2
71.04974	0.3
72.08134	0.3
73.02903	0.2
79.05476	5.4
81.03388	1.5
81.07041	5.2
83.04972	2.1
83.08617	0.5
84.08115	0.4
85.02887	2.8
85.06525	0.3
86.09691	1.1
87.00796	1.5
91.05453	5.6
93.07022	3.4
95.04945	3.7
95.08598	1.9
97.02879	1.2
97.06506	0.7
99.04427	0.6
102.23138	0.2
103.03893	0.3
103.05448	0.7
105.01816	1.3
105.06301	0.4
105.07008	8.2
107.04922	3.3
107.08572	16.7
108.08939	0.3
109.02869	1.4
109.06490	2.5
109.10135	6.8
109.10841	0.5
110.07143	0.5
111.04404	0.5
111.08037	0.3
115.05421	1.2
116.06255	0.3
117.06983	1.8
118.07777	0.5
119.06046	0.2
119.08556	3.6
120.08052	0.3
121.02816	0.2
121.06490	1.9
121.10120	10.5
122.07261	5.1
123.04422	0.5
123.08052	1.1
123.11686	0.3
124.07596	0.2
124.11174	0.2
125.05930	0.5
127.03880	3.2
129.01837	0.3
129.06982	0.4
131.08548	2.6
131.94824	0.2
133.10098	100.0
134.10411	2.3
135.04388	0.6
135.06979	0.4
135.08020	5.7
135.11652	1.5
137.05942	0.8
137.09586	51.9
138.09940	1.1
141.09155	0.2
143.08537	1.0
144.09331	0.3
145.04904	0.2
145.10109	2.2
147.02937	0.3
147.07983	0.7
147.11652	2.4
149.05934	0.4
149.09589	5.4
149.12030	0.4
149.13222	8.5
151.07562	0.3
151.11157	0.5
156.09285	0.3
157.10092	0.4
158.10909	1.4
159.08063	0.4
159.11653	0.8
161.05954	0.5
161.09605	0.7
161.13225	0.5
163.11185	0.4
163.14783	2.1
171.11674	0.5
173.13225	6.2
175.11136	0.4
179.07010	0.3
183.07980	0.3
185.13272	0.3
187.11143	0.3
187.14714	0.5
189.03851	0.4
189.08998	0.3
189.12694	0.7
191.14264	43.9
192.14621	1.5
201.12675	0.5
203.14253	0.5
207.13718	0.4
213.03845	0.7
215.14194	0.4
231.04950	1.1
231.13737	0.6
233.15341	0.6
238.17931	0.9
239.18423	0.2
240.19420	0.6
245.15277	0.9
253.15715	0.2
261.14740	0.3
263.16330	0.2
273.14804	0.4
281.15302	0.3
286.14651	0.2
291.15875	0.2
299.16220	0.5
300.10498	0.3
317.17288	0.4
335.18375	0.8
343.12491	0.2
353.19464	0.3
377.19440	0.5
396.28400	0.3
403.17365	0.7
421.18280	0.8
438.73227	0.2
439.19388	1.8
439.74014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11936	0.7
50.74633	0.7
53.03917	1.2
55.01854	2.3
55.05503	4.5
56.05016	2.8
57.03417	1.2
57.07064	19.6
58.06584	1.1
59.04972	2.5
60.04510	1.0
61.01139	0.8
61.02895	1.1
65.03941	0.7
65.56071	0.6
67.05496	4.0
67.86897	0.7
69.03419	7.8
69.07059	8.3
70.06582	32.4
70.73843	1.4
71.04972	2.4
71.06911	2.2
72.08139	5.8
73.02901	2.0
74.06044	0.8
79.05477	4.1
81.03400	5.5
81.07042	9.0
82.06553	1.2
83.04964	1.5
83.08600	1.7
83.85622	0.7
84.04485	4.9
84.08134	6.5
85.02406	1.2
85.02895	18.1
85.06517	2.1
86.09198	0.9
86.09695	13.4
87.00812	6.2
87.04468	0.8
87.10001	1.5
88.04012	0.8
91.03882	0.9
91.05455	4.6
93.07020	4.3
94.06552	1.7
95.04964	1.5
95.08607	5.9
96.08121	2.4
97.02882	5.2
97.06492	0.9
97.10127	2.1
98.06041	1.2
98.09667	0.8
99.04446	3.0
99.90752	0.8
102.05524	1.4
104.05308	1.4
105.01836	6.1
105.07019	2.7
106.07375	0.7
106.17549	0.7
107.04942	2.9
107.08576	3.5
108.08108	2.3
109.02843	5.2
109.06541	1.2
109.10126	2.9
110.07150	4.0
110.09671	1.1
111.11696	2.0
113.05958	0.8
116.07079	0.7
117.01856	0.8
117.03263	0.9
119.08528	1.2
120.08089	10.1
120.32224	0.8
121.06442	0.9
121.08404	1.3
121.10112	3.1
122.09639	1.5
122.10497	0.7
123.04415	1.7
123.08076	0.9
126.05496	1.2
127.03911	8.8
129.01869	1.0
129.06960	0.9
129.10245	3.3
130.04950	1.5
131.08539	1.6
132.08104	1.3
133.10101	10.5
135.08008	2.2
136.07550	2.4
137.05965	0.8
137.09595	5.8
137.13234	13.5
143.08524	1.0
145.02834	2.6
145.04921	2.4
145.10104	1.2
146.11751	1.1
147.04370	1.0
147.07903	1.0
147.11713	1.1
149.09636	1.0
149.13217	1.1
155.14282	100.0
156.14592	2.0
157.10011	1.1
159.02859	2.3
159.07935	0.9
159.09161	0.9
161.09593	1.0
173.09631	1.4
173.15347	41.7
177.05446	2.8
191.14288	4.0
212.16458	1.9
218.15446	0.9
220.16924	5.8
221.17175	1.1
222.18520	4.7
225.10373	0.9
231.04950	1.8
238.17970	14.2
238.20329	0.8
239.18666	2.7
240.06584	1.0
240.19562	11.2
241.19876	1.1
252.16167	0.9
256.19098	1.7
269.12988	0.9
270.17010	2.1
287.05515	1.8
299.10281	1.8
326.15533	0.9
344.74014	0.7
425.64215	0.8
429.23309	0.9
437.73062	3.3
437.96442	0.8
438.24066	4.3
438.28436	3.2
438.57770	1.1
438.73227	2.2
458.19519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3409
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
51.12963	0.8
55.05511	4.2
57.07070	4.2
67.05498	5.9
69.07056	21.4
69.45413	8.3
71.08603	1.0
73.14441	0.9
79.05489	3.6
81.07042	14.8
83.04964	2.3
83.08596	6.1
85.06543	1.2
89.06027	2.8
91.05467	4.5
93.07028	7.6
95.04951	4.1
95.08597	20.3
97.06518	29.0
97.10148	2.0
98.21496	2.3
99.08056	1.5
105.07015	15.6
107.08582	14.9
109.06498	1.3
109.10133	9.9
111.08042	1.6
111.11713	1.3
117.06985	1.5
119.08575	12.2
121.06505	4.3
121.10126	16.1
123.08019	2.8
123.11687	26.6
125.09666	1.1
129.06984	1.2
131.08540	3.6
133.08586	1.2
133.10124	13.1
135.08037	8.7
135.11674	5.2
137.09543	1.3
137.13225	2.3
141.07040	0.9
142.07805	1.4
143.08546	5.5
145.10089	7.7
147.08058	4.9
147.11681	3.2
149.09566	2.2
149.13277	1.5
151.14813	6.4
155.08549	1.9
157.10104	13.5
157.11310	1.4
159.11662	7.3
161.09605	2.7
161.13203	1.6
163.11147	1.0
163.14793	4.1
165.16399	1.1
169.10123	2.9
171.11702	5.4
173.13260	3.9
175.11156	2.4
175.14847	2.1
177.16370	8.3
181.15894	4.1
183.11644	6.0
185.13271	3.7
187.11148	2.6
187.14864	1.8
189.16364	3.9
191.18001	1.7
195.11708	2.0
197.13249	3.2
199.14813	6.8
201.12749	2.9
201.16367	1.9
205.15953	1.5
209.13223	1.0
211.14854	1.6
213.12752	1.2
213.16328	1.8
215.14291	1.6
215.17938	3.2
217.15820	11.5
219.17421	3.3
221.13258	1.0
223.14781	1.3
225.16360	2.8
227.14230	2.3
227.17863	1.1
229.15866	2.9
233.18987	7.1
239.14828	3.1
239.17868	1.1
241.15839	2.0
243.17410	17.1
243.21201	1.3
247.70094	0.8
255.17458	3.0
255.20987	1.1
257.19037	2.7
259.16891	3.0
263.17966	1.8
267.17361	2.6
267.20981	0.9
281.18988	12.9
283.20444	1.4
295.20621	1.4
295.24255	1.1
307.24197	1.3
309.22147	1.9
321.25644	1.9
323.23611	1.3
325.25433	1.4
333.25787	1.9
339.26785	2.5
349.25052	1.1
361.28973	0.9
367.26224	1.2
370.30109	1.0
379.29971	3.4
419.33084	21.7
437.34113	100.0
438.34509	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	437.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05490	0.5
56.05012	2.0
57.03413	0.6
59.28461	0.5
60.04501	1.4
61.01130	1.1
61.02895	0.6
65.01898	0.4
69.03403	1.8
70.06192	0.7
70.06580	11.4
71.04966	0.4
71.70732	0.6
72.08143	4.7
73.02882	0.6
74.00632	0.5
74.06060	1.9
79.05470	1.4
81.03391	0.8
83.06067	0.6
84.04491	4.6
84.08138	7.3
85.02900	3.9
86.09679	2.5
87.04430	0.6
87.05579	0.6
88.03970	0.8
89.03903	7.7
91.05477	1.2
94.99825	0.6
95.04999	0.6
95.06033	0.5
97.02875	2.0
102.05507	1.3
103.02420	2.1
104.05304	1.6
106.20082	0.5
107.04934	3.3
110.07153	4.2
113.00816	1.0
113.07150	0.8
115.08689	0.7
116.07063	1.4
117.03358	9.3
119.01904	1.9
119.04878	0.7
120.06573	0.5
120.08090	1.0
121.03443	1.0
122.07099	0.5
123.05555	0.7
127.03878	1.6
127.08623	0.5
129.10229	4.0
130.04990	0.8
130.08586	0.6
131.01892	15.0
132.95836	0.7
133.03412	1.3
135.04390	22.8
136.04778	0.7
136.06149	2.5
136.07552	2.1
136.08565	0.5
140.07079	0.6
143.01888	2.8
143.03387	0.9
145.02788	12.9
145.04799	0.8
147.01381	1.4
147.04337	2.8
149.02948	8.4
154.03465	0.6
155.01877	1.6
155.08047	0.5
156.07698	1.0
157.03459	4.3
157.04640	0.7
158.09265	0.6
159.01451	0.5
159.04962	1.0
159.06233	0.5
159.07582	0.5
161.02939	3.6
163.03883	100.0
164.04263	2.8
165.02579	0.6
171.07689	0.5
171.76585	0.5
173.02931	2.4
175.04500	2.4
175.11934	0.9
177.02380	4.1
183.01411	0.6
185.00972	1.7
185.02931	3.9
185.06544	0.5
186.03149	0.6
191.01918	0.6
193.03481	5.7
195.03468	1.1
195.05017	2.0
199.04390	0.5
199.08319	0.7
201.12341	0.5
203.01921	3.3
203.03995	11.8
205.03729	0.6
209.02942	3.8
211.04485	1.2
213.02432	8.9
213.05919	2.4
217.09270	0.9
221.02939	97.2
221.04947	6.8
222.03165	4.5
226.05569	0.6
227.04083	0.7
229.01768	4.5
229.09225	2.0
231.03459	14.9
232.03751	0.7
234.98961	0.6
235.04634	0.5
239.03970	27.8
240.04137	1.3
241.05754	0.5
244.04561	3.5
245.05014	2.5
247.04596	14.1
249.04149	0.5
249.06314	0.7
253.09186	0.5
254.05025	1.2
257.02896	0.9
257.05060	15.0
258.05237	1.3
259.06494	0.5
262.05646	0.8
265.05530	9.6
265.08130	0.7
266.05664	0.5
267.07150	0.8
270.05890	0.5
270.86978	0.6
275.04181	9.0
275.10049	0.5
283.06595	16.6
284.07043	0.6
288.07114	0.5
291.03476	0.9
293.05069	5.6
293.10635	0.7
295.06778	0.7
301.01743	3.8
303.03430	21.3
304.03745	0.8
306.08328	1.1
309.04468	4.1
311.06015	3.2
319.02957	24.8
319.12350	7.2
320.03143	1.3
321.04501	14.6
322.04749	0.7
326.05121	1.0
327.05618	2.0
332.06583	0.6
337.04004	6.5
337.13730	0.6
338.04135	0.7
339.05566	48.2
340.05899	2.2
344.06052	0.6
355.05075	15.9
356.05280	1.3
357.06561	5.1
360.05746	0.8
362.07202	2.4
371.81509	0.5
377.07166	0.5
378.06543	1.4
436.74249	0.8
437.15192	2.2
437.20404	0.7
437.24991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
56.05020	7.3
57.03411	1.1
58.06584	1.7
59.07352	1.1
60.04496	1.9
60.05639	5.7
60.08153	13.0
61.01134	2.0
67.05492	2.2
68.05008	1.3
69.03413	1.2
69.07050	3.0
70.02931	0.9
70.06578	81.7
71.04984	3.4
71.06908	1.8
71.58602	0.7
72.08141	40.3
73.02889	0.7
74.05661	0.8
74.06063	13.7
79.05473	1.1
81.03409	0.4
81.07036	1.2
82.06548	0.6
83.04968	0.7
83.06087	1.4
83.08614	0.6
84.04487	6.8
84.08126	37.1
85.02875	2.6
85.04028	0.6
85.04817	0.4
85.06525	1.9
85.07666	0.5
85.08469	0.9
86.06055	0.5
86.09689	66.3
86.90923	0.4
87.05575	1.0
87.10014	2.4
88.03983	1.7
88.07607	1.8
91.05474	2.7
93.07017	2.3
95.04951	0.6
95.06096	0.9
95.08583	0.6
96.08112	0.7
97.02874	1.1
97.06509	0.5
97.07648	1.1
97.10253	0.4
98.06031	2.9
100.07607	1.3
101.07130	1.5
101.10778	0.6
102.05515	3.0
102.09172	0.5
103.05436	3.5
103.34999	0.5
104.05313	5.8
105.01849	0.6
105.07034	1.1
107.08545	0.8
108.08092	0.6
109.02869	0.8
110.06057	0.8
110.07160	4.7
111.09156	0.7
112.08710	15.5
113.07130	3.2
115.03913	0.5
115.08646	2.9
116.07049	2.8
119.04935	0.5
119.07280	0.4
119.08574	0.5
120.08079	81.7
121.06506	0.8
121.08452	1.8
123.04477	0.8
127.03912	1.0
127.08685	1.4
129.10220	6.3
129.11116	0.6
130.05013	1.8
130.06552	1.0
130.08614	18.3
131.04907	0.6
132.08121	0.6
132.10252	0.8
133.03198	2.5
134.09619	8.2
134.10495	0.6
136.07603	1.9
137.05934	1.0
138.12808	1.3
140.08157	3.8
141.06569	0.8
141.10242	1.3
141.13879	0.6
143.11812	0.7
144.13809	2.1
145.09834	1.4
147.04463	2.0
147.11276	0.8
148.06052	0.5
150.05798	8.6
155.08218	1.4
155.11752	10.8
157.09732	1.1
157.10916	4.5
157.13321	7.8
159.09225	0.7
166.08665	1.1
167.08133	0.7
167.15468	1.1
169.09856	0.7
169.13420	1.1
173.09283	1.0
173.12941	1.1
175.11938	4.3
175.14473	2.0
178.24969	0.5
178.76599	0.4
181.09819	0.6
182.16586	0.8
183.14886	5.7
185.09299	0.6
185.12840	5.2
185.14333	0.4
185.16507	0.9
187.08990	0.4
187.10826	0.8
187.14526	1.3
189.06967	0.9
189.15952	10.4
190.05351	3.1
195.15076	0.5
197.13075	0.5
201.12445	1.5
205.10068	0.6
208.14526	0.8
210.16151	1.2
211.14311	0.7
215.14067	2.0
219.14922	8.5
220.17126	0.8
221.11880	0.8
225.17046	9.4
226.12079	0.5
228.17181	0.6
229.15657	2.1
233.09541	2.2
238.18068	0.7
241.15625	1.0
242.19971	1.7
246.62939	0.5
247.14616	1.0
251.10561	13.9
253.16850	1.0
253.19162	0.5
254.17749	0.5
258.14569	0.6
259.15720	1.3
261.09277	0.9
263.14087	5.2
268.16495	2.8
270.19522	1.9
271.17560	2.3
272.18469	1.1
273.19070	1.4
274.21649	0.7
279.17084	0.5
286.17584	3.5
288.20520	3.3
288.23260	0.9
303.05069	0.6
315.13605	0.6
322.19083	1.5
329.22025	0.5
332.13138	0.7
346.18265	1.4
417.21573	5.8
417.27924	0.5
418.24365	2.3
435.14587	2.2
435.19025	2.9
435.30026	100.0
436.30319	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	435.2502
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.89838	2.0
55.05505	17.0
57.03428	12.5
57.07066	7.1
67.05496	55.8
69.07056	23.5
70.00222	1.8
79.05486	13.7
81.07048	52.8
83.08614	12.1
85.06564	2.1
91.05479	9.6
93.07021	13.6
95.08595	56.8
97.06568	2.5
97.10171	6.1
98.20773	4.7
98.98451	70.7
105.07002	4.5
107.08604	10.6
109.10142	18.1
111.08094	2.6
111.11737	2.1
119.08573	7.8
120.59425	1.7
121.10133	9.9
123.11710	9.5
133.10109	7.9
134.68652	2.0
135.11711	5.5
137.09560	2.8
137.13200	4.6
147.11700	4.5
149.13252	4.1
151.14812	4.1
155.01016	42.9
161.13264	5.5
163.14830	4.0
165.16386	2.7
173.02122	8.5
175.14839	2.3
189.16336	2.4
229.40834	2.0
243.18381	1.7
245.22653	15.7
263.23685	35.4
337.27319	100.0
338.27893	4.9
384.03152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17305	2.2
53.03949	2.4
53.85168	2.1
55.05505	20.4
57.03424	10.1
57.07065	6.3
57.73131	1.8
58.98425	2.0
59.59615	2.5
66.38678	2.1
67.05497	61.1
69.07053	21.3
69.64644	14.6
71.08614	3.9
78.94151	1.9
79.05475	16.1
81.07043	65.2
83.08593	14.0
85.06531	2.9
91.05444	11.8
93.07035	19.5
95.08595	57.9
97.06525	4.1
97.10155	5.5
98.98457	100.0
104.22929	2.1
105.07009	8.0
107.08566	10.7
109.10139	26.2
111.08055	3.1
113.09583	2.5
119.08584	6.5
121.10125	11.9
123.08082	2.2
123.11688	11.6
133.10117	10.2
135.11674	8.8
137.09627	2.4
137.13226	6.9
147.11725	5.6
149.13248	7.0
151.14787	5.1
155.01019	84.2
161.13219	5.1
163.14816	5.8
165.16351	3.3
173.02029	10.0
175.14801	5.2
245.22649	25.8
263.23669	60.0
337.27322	67.1
355.77896	2.3
397.81326	2.5
417.23950	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	435.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.4
56.05020	9.7
57.03415	1.0
57.36531	0.5
58.06580	2.1
60.04505	2.0
61.01134	2.5
67.05470	0.8
69.03425	1.2
69.07037	3.1
70.02941	1.0
70.06578	39.1
70.83688	1.2
70.84024	0.8
71.04981	1.0
71.06901	1.0
72.08140	9.2
73.02918	0.6
74.06065	26.9
74.83568	0.6
75.04488	0.6
79.05479	0.6
81.03351	0.7
81.07034	1.6
82.06593	0.7
83.04971	1.7
83.06093	1.8
84.04482	11.3
84.08127	11.5
85.02886	2.0
85.08439	0.9
86.06078	1.8
86.09690	100.0
87.05575	0.8
87.10016	1.5
88.03992	1.4
90.05546	0.6
91.05456	2.0
93.07043	1.2
94.06567	0.6
96.08114	0.8
97.02898	1.0
98.06024	0.6
98.20774	0.6
99.08081	1.2
100.07617	3.7
101.07116	2.8
102.05528	3.3
103.05438	1.0
104.05306	9.2
107.08557	0.7
109.02853	0.7
110.06023	1.9
110.07149	6.6
111.09190	1.2
112.08717	1.4
113.07123	0.8
115.08683	1.3
116.07063	1.4
120.08080	9.8
123.04370	0.6
124.11169	0.5
127.03902	1.3
127.08665	1.8
129.06625	0.7
129.10228	6.4
130.04982	2.1
130.06520	1.2
130.08617	0.9
132.08058	0.8
133.03183	4.6
133.06059	1.0
136.07564	2.5
139.08665	0.7
141.06619	0.8
141.10207	1.0
142.12277	1.1
143.10753	0.5
144.06525	0.6
144.08124	0.7
145.09718	2.2
147.04416	0.6
147.07626	0.6
147.11255	0.9
148.06001	0.8
150.05809	17.5
152.10706	0.9
153.12743	1.1
155.08134	3.8
155.11765	3.1
156.07701	0.7
157.09734	2.2
157.13327	18.2
158.09277	0.6
159.07622	1.1
159.09146	1.2
167.08130	1.2
169.09743	0.6
169.12064	0.7
169.13339	1.4
170.06123	1.1
171.11273	0.9
171.13763	1.1
173.09210	3.6
173.12875	0.6
174.69803	0.6
183.14897	2.7
184.10938	0.5
185.09218	1.6
185.12819	10.5
187.08926	0.7
187.10844	0.6
187.14389	2.7
190.05283	7.2
197.12877	1.9
199.10791	0.6
200.14201	0.7
201.12334	0.7
203.10323	0.7
205.10066	1.2
211.14424	0.7
212.10286	0.8
213.08597	1.0
215.08444	1.2
215.13812	2.6
217.13702	0.9
218.15343	0.8
231.13483	0.7
233.09464	5.5
236.16591	0.6
240.17139	0.8
241.15463	1.3
244.18019	0.7
251.10561	35.7
252.10735	0.6
261.09076	2.1
263.14188	10.4
268.16507	9.0
272.18112	0.7
286.17566	10.1
323.20685	0.7
332.12796	2.5
336.19150	1.4
341.71671	1.9
342.21747	0.7
346.17911	3.3
364.19052	1.1
408.21396	0.6
411.21661	0.6
417.21603	12.5
418.21747	0.7
434.74286	0.8
435.12738	1.1
435.17871	1.1
435.24374	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	435.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03623	0.7
52.84604	0.6
53.03943	0.9
55.01883	0.7
55.05507	10.4
56.05030	12.2
57.03450	0.8
57.05816	1.1
57.07056	0.7
60.04517	3.2
60.05632	0.8
61.01146	8.1
66.84112	0.6
67.05495	1.7
67.55049	0.6
68.05016	6.1
68.23112	0.6
69.03400	1.7
69.07066	4.0
70.02940	0.8
70.06586	83.5
70.80222	2.0
71.04997	1.4
71.06922	2.3
72.08147	100.0
73.08479	1.0
74.06073	5.4
79.05496	1.1
81.03414	1.4
81.07043	2.1
82.06574	0.8
83.04968	1.4
83.06075	1.0
84.04500	7.7
84.08137	15.0
85.02902	4.5
85.06566	0.9
86.06023	0.6
86.09697	71.1
87.00842	0.8
87.05593	2.4
87.10036	1.7
88.03988	7.3
91.05473	3.3
92.65333	0.6
93.07047	1.8
95.04953	0.9
95.06104	0.7
96.04485	2.7
97.02886	2.4
97.06527	1.4
98.06055	0.6
99.08104	0.8
101.07157	2.5
102.05531	7.6
103.05457	1.7
104.05314	11.9
105.01851	1.6
105.07032	0.9
106.04999	0.8
107.04928	0.7
107.08603	1.1
109.02880	1.5
109.06477	1.2
109.10136	1.0
110.07159	8.0
112.07577	0.8
112.08695	1.5
113.07116	49.6
114.07484	0.8
115.08686	2.1
116.07066	5.6
117.81493	0.6
119.04941	0.8
119.08512	0.8
120.08092	45.3
121.08404	0.9
121.10219	0.7
125.07085	3.5
127.03934	2.5
127.05041	3.5
127.08686	1.7
129.10202	5.7
130.05035	1.1
130.06523	1.2
130.08678	1.8
131.04933	0.9
132.08099	1.3
133.06108	0.9
136.07545	5.1
138.09157	1.1
141.06548	1.4
141.10219	2.0
143.10760	1.2
143.11803	3.8
145.02869	0.8
145.04956	1.0
145.06023	1.2
147.04431	2.4
148.06044	11.1
150.05786	3.5
151.07654	0.8
151.11310	0.8
153.01768	1.3
153.10194	0.8
155.08150	1.0
155.11797	2.6
157.09740	0.9
159.11331	1.5
161.07416	16.6
162.07782	0.8
167.08153	1.6
169.09767	1.9
169.12236	1.7
171.07619	1.6
171.11263	1.7
173.09366	1.5
173.12868	0.9
175.08937	1.0
175.11945	1.6
182.07973	0.8
183.11307	1.4
183.14972	1.3
185.09236	6.5
187.10823	4.3
187.14423	1.2
188.07109	0.9
189.06909	30.3
189.12326	0.9
191.11829	0.8
196.06064	2.5
199.10760	1.8
200.13951	2.8
201.12354	2.0
203.08485	1.3
203.12178	0.9
205.09959	0.8
211.10936	0.8
213.08688	6.4
215.13895	1.6
217.11702	1.5
217.13553	1.7
220.17007	1.6
221.09456	1.4
223.10770	4.9
227.11841	1.4
229.11841	1.3
230.22899	0.7
238.18094	1.1
240.13388	1.0
243.11539	6.5
247.07449	2.3
247.12871	28.4
249.12564	1.9
256.19135	1.7
263.14090	3.8
273.07510	1.0
273.12302	0.9
276.16553	1.1
286.13992	1.8
288.13773	6.9
302.15323	3.0
320.15891	3.4
323.17059	1.3
340.14536	0.7
360.15610	3.0
363.05435	0.7
435.19266	5.6
435.27335	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	434.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
54.16053	0.4
55.01842	0.6
55.05508	3.3
56.05028	2.8
56.05799	0.4
57.03404	1.8
58.06580	0.4
59.04990	0.6
60.04527	2.6
61.02912	2.4
67.05496	4.9
69.03422	7.7
69.07047	1.0
69.75758	3.0
70.06583	9.2
71.04947	1.1
72.08146	15.2
73.02872	1.7
73.08486	2.0
74.06073	2.2
79.05480	2.2
80.05009	2.3
81.03416	2.0
81.07031	1.4
82.06551	1.9
83.04948	0.5
83.08591	0.8
84.04497	2.2
84.08132	10.5
85.02893	11.2
86.06029	1.3
86.09228	0.7
86.09696	11.0
87.04461	2.1
87.05571	0.5
87.10013	1.6
88.03969	1.1
91.03915	0.8
91.05478	1.0
94.06525	1.4
95.04918	0.4
95.08573	1.5
96.08096	1.3
97.02872	5.1
99.04408	1.1
101.07088	0.6
101.10760	0.4
102.05518	1.1
104.05252	0.9
105.07014	0.5
105.26598	0.4
106.06545	1.0
107.07314	1.5
107.08565	1.8
108.08091	1.0
109.02841	1.6
109.10125	0.5
110.07140	1.9
110.09631	0.6
112.07546	0.7
113.07129	0.6
119.08538	0.5
120.06580	1.0
120.08099	2.7
122.05993	0.6
124.11214	3.0
127.03919	2.9
127.04781	0.5
127.08600	0.6
128.07112	0.5
129.10219	9.4
130.04968	1.2
130.10550	0.6
131.08507	0.6
132.08043	0.7
132.10155	1.3
133.10446	0.5
136.07550	2.0
138.09126	0.5
141.10194	0.4
145.04935	1.1
147.04552	0.4
152.10681	0.7
154.38361	0.4
155.08069	0.6
156.07574	0.6
159.09145	1.2
159.11217	0.5
169.09750	0.4
170.11726	2.8
173.12854	1.9
174.13037	1.0
180.13721	0.5
183.11290	0.5
187.10757	0.8
187.14455	1.0
188.10947	0.5
190.15874	1.3
192.13802	0.9
200.14235	0.6
201.12329	1.7
202.12595	1.3
206.15422	2.3
208.16891	4.0
215.10310	1.4
216.10602	1.6
218.15381	5.9
219.13477	3.0
220.13678	2.2
224.16359	1.3
226.17993	1.6
229.11804	0.6
236.16391	10.3
254.17491	12.9
272.18533	79.2
273.18915	2.7
303.13730	0.9
384.21735	0.6
398.21805	0.5
416.22305	2.5
433.75418	0.7
434.23804	100.0
435.23856	3.4
442.84995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	0.3
55.05488	0.8
56.05022	1.4
57.03403	0.7
58.06575	0.4
61.02885	1.0
61.28026	0.2
63.32426	0.3
65.03915	0.6
67.05498	4.5
69.03417	2.9
69.07040	0.7
70.06583	4.2
71.04949	0.3
71.06866	0.4
71.19440	0.4
71.19785	0.4
72.08151	1.9
73.02887	0.7
74.06035	0.7
79.05481	1.7
80.05018	2.0
81.03384	1.2
81.07041	2.1
82.06551	1.3
83.08609	0.6
84.04464	0.9
84.08131	2.4
85.02901	4.5
86.06052	2.0
86.09700	1.7
87.04436	0.6
88.03948	0.4
91.03916	0.4
91.05441	0.6
92.22333	0.3
93.07018	0.6
94.06552	1.4
95.08583	1.4
96.08090	1.2
97.02876	2.6
97.10153	0.5
104.05293	0.6
105.06999	0.4
106.06499	0.9
107.07286	1.3
107.08578	1.4
108.08057	0.9
109.02871	0.5
109.06443	0.3
110.05982	0.3
110.07144	0.9
110.09624	0.6
112.07555	0.6
119.08566	0.5
120.08055	1.3
121.10101	0.4
122.09630	0.6
123.08031	0.4
124.11207	3.8
125.09583	0.3
127.03885	0.9
129.10175	0.6
131.08598	0.4
132.07968	0.5
134.09612	0.6
136.07529	0.7
145.02826	0.4
145.04907	0.5
151.07475	1.1
152.10649	0.8
152.14388	0.3
161.09488	0.5
163.03891	0.7
170.11754	2.5
174.12782	0.5
180.13683	0.4
184.13242	0.3
186.17990	0.3
190.15833	1.5
192.13803	0.7
198.14867	0.4
200.14258	0.3
206.15401	1.8
208.16960	3.5
210.14790	0.4
218.15363	6.4
224.16373	1.3
226.17937	2.1
236.16411	10.1
254.17480	12.1
272.18524	100.0
273.18939	2.2
296.18399	0.3
314.19583	0.5
398.21429	0.4
416.22803	2.3
420.61880	0.3
434.23807	57.1
435.24005	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	434.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34834	0.4
53.03907	0.9
54.33802	0.4
55.01846	0.6
55.05468	1.3
56.05025	2.9
57.03434	2.3
57.03655	0.7
60.04472	1.3
61.01106	0.9
61.02915	2.3
65.03909	0.5
67.05486	4.9
69.03418	8.9
69.07024	1.4
69.48824	3.2
70.06576	16.4
71.04941	1.3
71.06906	0.7
72.08144	6.5
73.02911	1.9
73.08451	0.9
74.06033	1.6
79.05493	2.0
80.05007	1.8
81.03391	3.2
81.07046	2.1
82.06534	1.0
83.06072	0.9
83.08577	0.7
84.04478	2.4
84.08128	7.2
85.02886	12.4
85.06501	0.5
86.06058	2.1
86.09688	9.4
87.04411	1.6
87.05551	1.2
87.09986	0.9
88.03934	0.7
91.03917	1.1
91.05424	1.2
91.44131	0.4
93.05745	0.5
93.07009	1.0
94.06527	1.2
95.08588	2.1
96.08068	0.6
97.02882	5.4
97.06516	0.4
97.10089	0.5
98.05985	0.4
98.21479	0.8
99.04401	1.5
100.57643	0.4
101.07094	0.7
102.05513	1.0
104.05308	3.3
105.06989	1.2
106.05003	0.5
106.06503	1.5
107.07292	1.3
107.08538	1.1
108.01363	0.4
108.08061	0.8
109.02860	2.7
109.06463	0.6
109.10113	0.8
110.06004	0.6
110.07150	3.2
112.08746	0.7
116.07027	0.7
119.04871	0.4
120.06581	0.6
120.08071	3.1
123.07944	0.5
124.07564	0.6
124.11210	3.7
127.03876	3.7
127.07521	0.5
127.08612	0.5
129.10173	2.8
130.04948	0.7
131.08522	0.7
132.08055	0.5
133.06058	1.5
134.09657	0.6
135.11717	0.4
136.07529	1.4
141.10156	0.5
143.11758	1.0
145.04913	0.8
152.10637	0.7
155.08064	0.5
157.12160	0.8
159.09122	0.4
163.03876	0.4
170.11745	3.0
173.09290	0.5
173.12991	0.4
174.13048	0.5
189.06825	0.4
190.15924	1.8
192.13824	0.4
198.14816	0.6
201.12395	0.9
204.49527	0.4
206.15317	1.3
208.16913	3.9
210.14786	0.4
218.15309	5.8
219.13531	0.7
224.16306	1.3
225.10110	0.5
226.17915	2.1
229.15512	0.7
236.16386	9.6
253.09789	0.6
254.17471	12.1
261.28214	0.4
264.10065	0.6
272.18509	100.0
273.18982	2.2
302.14777	0.5
313.11798	0.6
341.27863	0.4
388.34579	0.4
397.89273	0.4
416.22665	0.8
434.23795	92.4
435.23996	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	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
54.03675	0.9
55.01868	1.7
55.05479	1.2
55.61536	0.7
56.05013	2.3
57.03429	29.2
59.04979	1.3
60.04507	1.5
61.02919	13.3
64.22478	1.0
67.05491	1.9
69.03419	32.1
69.07046	1.9
69.59258	6.2
69.59676	2.4
70.06584	12.4
71.01330	2.6
71.04979	3.6
72.08147	6.8
73.02909	66.8
74.03235	1.2
74.06072	1.8
79.05486	2.0
81.03398	5.8
83.04968	1.0
84.04458	1.7
84.08141	7.8
85.02895	100.0
86.03233	1.0
86.09698	13.9
87.04448	2.3
88.03970	1.1
91.03967	4.6
91.05453	1.6
93.07037	1.4
94.06563	1.4
96.08073	1.4
97.02880	53.2
98.03250	1.6
99.04417	3.0
101.02335	1.0
102.05513	0.8
103.03888	1.5
104.05304	1.6
104.53268	0.9
105.07021	13.5
109.02874	6.4
110.07152	2.5
111.86348	0.8
112.05087	6.5
113.05409	1.1
114.14046	0.8
115.03917	37.1
119.08543	1.2
120.08089	10.7
121.08492	0.9
122.09674	1.4
127.03902	32.5
129.10228	2.0
132.06593	1.8
133.04955	10.2
133.31075	0.9
136.07541	1.1
144.06534	1.1
145.04947	56.7
147.08005	2.1
150.07611	6.1
163.06003	34.3
163.07394	1.8
164.06310	1.3
174.73488	0.9
180.08609	2.0
181.04893	1.6
187.10832	1.2
189.08983	1.1
198.18086	0.9
201.09087	4.4
219.10139	2.1
220.16948	2.9
223.06003	4.6
231.09990	2.2
238.17990	15.4
238.68230	5.2
239.18494	1.1
241.07024	5.4
249.11139	1.7
255.12334	1.0
259.08163	5.9
261.15961	1.2
285.13309	10.6
288.05817	2.9
295.10278	6.4
302.15927	1.0
434.20074	1.4
434.32541	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09487	1.2
52.22125	1.2
55.01857	2.9
55.05501	6.9
56.05027	18.0
57.03423	7.4
57.05812	1.7
60.04529	6.0
60.08146	1.4
61.01134	4.9
61.02913	1.3
64.34797	1.4
67.05487	3.1
68.04998	2.4
69.03403	5.4
69.07047	6.2
70.02943	2.2
70.06584	100.0
71.04962	1.4
71.06901	5.3
71.64541	1.7
71.64922	1.3
72.07767	2.3
72.08148	37.1
73.02901	3.0
74.06062	9.7
75.04446	3.8
76.02240	1.4
79.05497	2.5
81.03388	3.0
81.07038	2.3
82.06544	1.6
83.06088	4.6
84.04497	15.5
84.07634	2.1
84.08132	39.2
85.02880	12.1
85.04797	1.7
85.08441	1.3
86.06067	1.9
86.09693	84.5
87.04450	1.2
87.05574	5.8
87.10023	5.4
88.03972	4.7
91.05467	8.7
93.04511	1.8
93.07030	3.1
95.04936	2.3
95.06048	1.7
95.08559	1.7
96.08099	1.9
97.02889	6.2
98.06029	2.5
101.07102	3.7
102.05521	5.8
103.05446	17.3
104.05305	19.2
105.07031	2.8
107.04945	1.7
109.02852	2.5
109.06465	3.3
109.10131	2.2
110.03622	3.6
110.06012	1.6
110.07157	23.8
112.07554	2.0
112.08682	3.4
113.07117	7.7
115.08667	4.1
116.05262	1.4
116.07068	5.6
119.04935	9.1
120.06546	1.6
120.08080	25.5
121.06446	6.5
121.08427	1.6
123.04425	6.3
124.05195	2.6
124.07591	6.2
125.07050	1.7
126.05477	1.9
127.03905	3.3
127.08648	6.5
129.10229	24.1
130.04987	4.1
130.06488	6.3
130.08621	2.5
131.04912	61.0
132.08040	2.7
133.06071	6.2
135.08112	1.9
136.07567	8.6
137.05949	12.2
138.06752	9.4
138.09100	3.5
141.06480	1.5
141.10202	3.7
141.11186	1.2
143.08119	1.7
143.11763	10.7
144.06584	1.9
145.04933	2.7
146.06018	1.7
147.04462	2.2
147.11301	1.6
148.05110	8.4
148.08591	1.5
151.07530	5.7
153.01791	1.5
155.08141	4.8
155.11839	2.3
156.07710	2.1
157.09705	1.9
158.06117	1.7
159.09131	4.0
161.06053	2.0
161.07370	2.1
163.03848	5.7
163.07532	45.0
166.06255	13.8
169.09753	2.2
170.05986	2.1
171.11261	4.2
173.09206	4.0
173.12849	3.6
179.07008	3.1
181.08566	16.5
183.11252	1.6
187.08704	1.6
187.10698	1.9
187.14438	2.9
188.07037	2.4
188.14581	1.5
189.06956	6.2
189.12393	2.3
200.13882	3.2
201.12386	3.2
213.31485	1.4
215.13739	2.3
218.15402	2.4
219.10056	2.3
228.13377	3.1
230.11348	2.9
235.11046	1.8
236.16386	3.2
237.11189	14.0
240.13437	1.6
246.08987	6.3
246.14522	3.5
254.13771	2.2
254.17456	4.5
255.12276	46.2
256.37408	1.4
257.13055	1.4
260.12357	1.8
264.10046	2.9
269.10596	1.7
272.18555	20.3
273.07486	2.7
285.05927	1.4
286.19312	2.4
302.15134	2.7
331.17902	4.8
357.14420	1.4
359.17221	2.6
399.16504	3.1
434.24213	17.4
435.29443	2.2
458.29495	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	434.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.7
56.05022	4.8
57.03422	1.6
61.01135	3.5
67.05489	1.7
69.03400	0.5
69.07079	2.4
69.29185	0.7
69.29591	4.7
70.06579	6.5
71.04978	6.3
71.08601	0.6
72.05310	1.3
72.08133	1.2
73.04396	0.5
79.05476	1.1
81.07039	1.6
82.06577	0.6
84.04490	26.9
84.08128	1.1
85.02892	7.3
86.03232	1.2
86.09690	100.0
87.10009	1.1
89.04239	1.8
91.05470	2.8
92.04282	0.5
92.05785	0.9
93.07024	1.4
94.06534	1.1
95.04951	0.6
95.08585	1.2
96.08100	1.9
98.09678	0.8
98.21498	1.2
99.86395	0.4
102.05517	9.2
104.05305	7.3
105.07022	0.5
106.58837	0.5
107.08565	0.8
108.08094	1.9
110.07153	0.5
110.09647	0.6
111.04433	0.8
111.05561	0.9
116.05288	0.7
116.07082	2.4
119.08491	0.5
120.08087	2.0
121.02850	0.8
121.10136	0.7
122.09658	0.8
123.05569	0.6
123.11669	0.8
124.11280	0.5
129.05478	1.1
133.10138	0.6
135.11612	0.5
139.03906	0.9
144.05389	1.1
144.06529	22.4
145.10074	0.8
147.04405	0.5
151.11182	1.2
153.01794	0.7
159.05855	0.6
160.04225	1.0
162.07585	44.5
163.08003	0.6
165.01848	0.8
165.45261	0.5
172.11536	0.9
179.11819	2.2
197.12810	0.6
199.12729	0.6
217.13713	1.5
220.16963	4.9
221.17271	1.1
227.12009	3.2
238.17970	20.1
238.68138	16.0
239.18356	5.5
240.19543	1.6
241.19887	0.6
243.13463	0.5
245.13167	3.3
247.18500	0.7
255.11617	7.3
256.19077	0.8
257.15030	0.8
259.18668	1.0
259.68643	2.6
273.12576	4.1
275.15997	5.1
287.05453	12.6
288.05789	28.0
289.06128	1.1
394.21619	0.5
403.23630	0.5
416.18497	7.4
433.76172	0.5
434.32751	1.7
434.58838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01852	0.3
55.05499	0.6
56.05012	0.6
57.03409	0.4
58.13712	0.2
58.99573	0.2
60.04505	0.3
61.02905	0.7
64.64986	0.1
67.05495	2.2
69.03413	1.4
70.06585	1.5
71.04983	0.2
71.23861	0.3
72.08146	1.8
72.84198	0.1
73.02898	0.2
76.02219	0.8
77.03898	0.1
79.05469	0.4
80.04994	0.4
81.03404	0.4
81.07030	0.6
82.06566	0.3
83.04982	0.2
83.06040	0.1
84.04494	0.5
84.08134	1.0
85.02890	3.9
86.06055	0.2
86.09691	0.7
86.99025	0.3
91.03938	0.2
91.05457	0.3
93.07024	0.6
94.06524	0.2
95.04961	0.2
95.08593	3.7
96.08106	0.2
97.02883	1.2
97.10150	0.2
99.04449	0.4
100.02194	1.8
104.05304	0.4
105.00053	0.7
105.07004	0.6
106.06522	0.4
107.08560	0.2
108.05718	0.5
109.02856	0.5
110.07157	0.8
112.02233	0.2
113.81292	0.2
115.82280	0.1
116.07129	0.2
118.03190	0.3
119.08495	0.1
120.08095	0.3
122.02708	7.3
123.08049	6.2
124.11179	0.4
127.03873	0.8
129.10176	0.4
134.09645	0.2
136.07506	0.2
138.09177	0.2
141.06554	0.3
145.04941	0.7
146.02692	1.4
151.07520	100.0
152.07870	1.6
152.10692	0.2
163.03847	0.2
164.03731	0.5
165.09099	0.2
168.10513	0.1
169.06070	0.3
170.11806	0.2
186.08673	0.7
188.03722	0.4
190.15849	0.3
200.03790	0.2
206.15356	0.3
208.16919	0.6
218.15375	0.9
219.13403	0.2
226.18021	0.3
236.16461	1.6
248.05788	0.5
249.12793	0.3
254.17450	2.0
256.19156	0.2
272.09470	9.9
272.15543	0.3
272.18524	7.7
284.07935	7.9
285.15591	0.2
314.19754	0.3
346.67169	0.2
398.21753	0.2
411.45615	0.2
416.22910	1.6
434.23804	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	433.2344
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.25316	1.4
55.05496	10.1
57.03431	7.5
57.07050	3.9
67.05491	42.9
69.07034	8.7
70.79700	5.2
75.04448	2.2
79.05484	27.4
80.83067	1.3
81.06572	3.2
81.07043	48.8
81.38696	1.4
83.08604	3.7
85.06560	1.8
91.05466	16.0
92.91726	1.6
93.07027	40.6
95.04964	2.8
95.08048	2.8
95.08598	39.0
97.06509	1.5
97.10179	2.1
98.98450	100.0
105.07004	14.3
107.08566	26.8
109.10150	19.2
111.08002	1.7
113.09657	2.1
115.49632	1.7
117.06982	7.1
119.08564	10.0
121.10121	21.4
123.11694	8.9
131.08562	10.5
133.10130	12.0
135.11652	15.6
137.13239	2.7
145.10135	10.7
147.11632	9.3
149.09499	1.9
149.13264	15.4
151.11154	2.0
151.14816	2.1
155.01015	31.1
159.11703	10.5
161.13235	6.1
163.14792	9.7
170.50963	1.6
173.02090	18.9
173.13252	10.2
175.14784	2.9
177.16365	3.3
187.14795	5.7
191.14194	2.1
201.16348	2.3
205.15923	1.5
205.56418	1.5
233.22650	5.9
243.21048	22.8
261.22104	77.9
262.22406	3.8
307.13278	1.5
317.24756	10.6
335.25742	56.3
336.26016	3.9
388.51669	1.7
415.22385	10.9
433.23560	3.6
441.56924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61494	1.0
53.85475	1.2
54.20175	1.3
55.05496	7.8
57.03426	9.5
57.07058	2.9
57.09924	1.2
60.73471	1.0
61.27968	1.0
61.55667	1.0
66.28330	1.1
67.05499	43.6
69.07056	10.4
69.58359	9.8
71.04966	1.8
79.05482	26.9
81.07047	55.6
83.08612	6.0
83.17854	1.2
85.06516	1.4
91.05464	13.6
93.07038	40.4
95.04954	2.5
95.08597	37.6
97.06514	2.3
97.10172	1.4
98.98457	68.3
99.08105	1.7
105.07018	14.1
107.08589	22.3
109.06507	1.9
109.10145	19.7
116.99506	2.7
117.07020	5.3
119.08564	10.2
121.10126	19.4
121.82708	1.2
123.08092	1.8
123.11702	10.1
131.08568	8.6
133.10104	9.4
135.11679	14.3
137.09662	1.3
137.13228	3.3
145.10118	9.7
147.11697	7.9
147.89561	1.1
149.13261	11.1
151.14827	2.1
153.12691	1.1
155.01022	13.2
159.11682	5.6
161.13188	5.7
163.14781	8.0
165.12881	1.3
173.02109	13.6
173.13187	7.0
175.14777	3.0
177.16350	2.7
187.14795	3.9
201.16238	1.7
233.22575	2.8
243.21056	17.7
261.22122	53.0
262.22458	1.5
279.23254	2.0
317.24756	8.3
335.25781	100.0
336.26205	2.3
337.38370	1.3
341.42563	1.3
415.22198	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	433.149
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.05476	0.2
68.99757	0.3
69.03413	0.3
70.06551	0.3
71.75066	0.3
79.05466	0.2
81.07012	0.3
91.05451	0.3
93.07020	0.2
93.44764	0.1
95.08601	0.2
97.06506	0.1
99.04395	0.5
105.07013	0.3
107.08533	0.3
119.08562	0.2
121.02836	0.2
121.10098	0.2
123.11647	0.1
127.03851	0.5
133.10117	0.2
135.04384	0.3
137.09583	0.2
138.06683	0.2
142.85526	0.1
145.10062	0.2
147.04356	0.1
149.02328	0.3
149.05881	0.2
151.07503	0.6
155.06935	0.4
157.35048	0.1
161.05989	0.2
163.03841	0.5
163.07497	0.3
165.05455	6.6
165.06837	0.4
166.05669	0.2
175.07465	0.4
177.05458	0.5
178.06207	1.1
181.01172	0.2
181.06508	0.1
183.02863	3.4
189.05415	0.4
191.07010	0.4
195.02818	0.2
197.00667	0.2
197.05951	0.2
205.08601	0.4
211.02333	1.8
214.00687	0.1
215.06953	0.3
219.06508	0.2
227.06999	0.4
229.03371	0.5
229.08707	0.2
231.06557	0.3
233.08003	0.5
236.06693	0.2
241.04961	0.2
243.06520	0.7
245.07823	0.2
255.06520	0.5
255.65775	0.2
256.07239	0.3
257.04337	0.2
258.05081	0.2
258.08893	0.2
261.07480	0.4
268.07251	0.3
269.07889	0.3
271.05963	0.8
272.06680	0.3
273.07462	0.3
274.04672	0.2
275.05383	0.3
281.04449	0.2
283.06027	0.8
284.02930	0.2
285.03870	0.3
285.07489	0.4
286.04874	0.2
286.08298	0.5
287.05365	0.3
287.08905	0.2
288.06192	0.5
289.07059	2.5
297.03989	0.3
297.07599	0.4
298.08356	0.1
299.02350	0.2
299.05478	2.7
299.08929	0.3
300.06216	0.2
301.06964	0.7
302.04062	0.5
304.09427	0.2
309.04083	0.3
309.07434	0.2
311.05502	2.2
311.08881	0.3
312.05911	0.2
313.03311	0.6
313.07062	0.8
314.04150	0.4
314.07758	1.1
315.05063	0.3
315.08359	0.3
317.06528	3.9
323.01895	0.2
324.06345	0.2
324.09918	0.2
325.07059	0.7
326.03961	0.2
326.07828	0.3
327.04950	3.2
327.08569	0.4
328.05496	0.3
328.09161	0.3
329.02841	0.2
329.06509	1.6
329.10168	0.8
330.03677	0.5
330.07230	0.2
331.08041	1.5
332.08698	0.5
335.26013	0.2
339.04971	2.7
339.08655	0.4
340.05502	0.2
341.03461	1.0
341.06213	1.0
341.10056	0.4
342.07254	1.4
342.10898	0.2
343.04465	0.3
343.08078	0.7
344.05084	0.3
345.05991	8.8
346.06387	0.4
347.11212	0.4
353.06488	0.3
354.07416	1.1
355.04437	0.9
355.08200	0.3
356.05017	0.3
356.08905	0.2
357.05905	1.6
357.09711	2.6
358.02966	0.3
358.06830	0.2
359.07571	2.2
360.08356	3.3
369.05963	1.1
369.09769	0.3
370.06796	1.4
371.07605	0.7
371.11554	0.3
372.08243	0.3
373.05466	4.8
374.05994	0.2
375.10660	2.2
383.07352	0.2
384.08194	0.3
385.09128	7.0
386.09351	0.7
387.06873	4.4
388.07803	4.4
389.12347	0.4
399.10873	1.3
400.11411	0.7
402.09262	0.3
403.10187	70.9
404.10529	3.5
417.06116	0.2
417.11728	4.1
418.12521	7.8
419.12924	0.2
433.14883	100.0
434.15222	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	433.1124
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03943	0.3
55.01863	0.2
55.05505	1.2
57.03428	3.0
57.58973	0.2
60.04503	0.4
65.03914	0.4
66.68050	0.2
67.05483	0.9
68.99770	0.6
69.03417	0.3
69.07046	1.0
69.89542	0.2
70.06585	2.6
70.20236	0.6
70.20631	0.4
71.04983	18.4
72.08144	0.5
74.12283	0.2
75.04463	1.2
79.05473	0.8
81.07023	0.8
82.06574	0.5
83.04948	0.5
84.04478	1.1
84.08120	0.7
85.02892	21.5
86.06051	0.3
86.09698	2.7
87.04436	0.8
89.05997	0.5
90.01893	0.5
91.04903	0.4
91.05471	7.5
93.07016	0.7
94.06555	0.5
95.04942	0.3
95.08589	0.9
96.08119	0.8
97.02916	0.3
100.11240	0.2
102.05513	0.3
103.05429	0.2
105.07026	0.4
107.08588	0.6
108.08084	0.9
110.09614	0.3
111.00789	0.4
111.04417	0.8
119.04922	0.3
120.08077	0.8
121.02850	2.6
122.09644	0.6
124.09985	0.2
124.35796	0.2
129.05457	4.1
130.04965	0.3
133.02856	0.4
135.04407	0.2
137.02321	0.7
139.03857	0.8
144.06558	0.5
147.04372	1.0
153.01813	4.0
157.06461	0.5
162.07570	0.8
163.03873	0.6
165.01822	1.4
179.25652	0.2
180.08592	0.2
181.05025	0.4
183.02866	0.8
185.05965	0.6
185.13200	0.2
195.02386	0.2
213.05377	1.2
218.15282	0.3
220.16931	3.0
221.17258	0.3
222.18542	0.4
229.17461	0.6
231.06561	0.6
238.17993	17.7
238.68134	3.3
239.18497	1.1
239.68944	0.4
240.19580	1.4
241.04997	0.6
250.09114	0.2
254.02957	3.2
258.05154	0.9
259.06021	0.5
259.18585	1.2
287.05463	100.0
288.05792	2.8
364.20605	0.4
416.21158	0.3
433.10995	0.7
433.21820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.05019	1.4
60.04495	0.6
69.03398	1.4
69.07037	1.1
70.02934	0.6
70.06583	12.2
70.18035	1.6
71.06916	1.1
72.08146	9.9
72.93767	0.5
73.02913	0.8
73.08473	0.8
74.06062	1.4
79.05473	0.8
80.05014	0.4
81.46091	0.4
83.06085	1.2
84.04482	4.5
84.08128	9.6
85.02890	1.9
86.09689	15.6
87.05570	1.1
88.03963	1.1
91.05457	3.4
93.07011	1.2
97.02898	0.6
98.21468	0.5
101.07124	1.7
101.10754	0.5
102.05525	1.6
103.05439	5.6
104.05306	0.5
104.07102	0.5
107.04951	1.2
108.08102	1.7
110.07162	2.7
115.08669	0.6
116.07076	0.6
120.08086	100.0
121.08423	2.2
127.08651	0.7
129.06599	0.9
129.10217	5.4
130.04973	2.8
131.04912	2.1
133.06064	1.5
136.06184	0.6
136.07555	1.2
138.09135	1.2
141.06602	0.6
143.11818	0.8
145.02809	1.4
147.07619	3.2
147.11209	0.5
149.05971	2.6
154.06522	0.4
155.08127	0.7
156.07683	1.3
159.07678	1.4
159.11261	0.5
163.03897	1.2
166.08617	53.9
167.08957	0.9
169.09677	0.5
173.09184	0.6
173.12869	0.6
177.05457	1.7
183.11256	0.8
184.06027	0.6
185.09096	0.5
187.07138	1.3
187.10753	0.8
189.97083	0.6
191.21915	0.5
200.13838	0.5
201.12288	1.0
205.96642	0.7
206.04503	0.5
207.98141	1.2
211.97571	0.7
212.82115	0.4
213.08696	0.6
214.30377	0.4
220.09381	0.7
223.97644	0.6
224.84288	0.4
228.13359	0.5
230.11557	0.8
234.14825	0.5
234.96671	0.7
235.97607	2.2
236.98387	0.5
246.14481	1.5
251.97127	1.2
252.15962	1.2
252.97968	1.1
253.98526	0.5
260.16052	0.9
267.96796	0.5
270.16940	7.2
274.64554	0.5
277.98727	0.9
281.10135	1.4
300.15479	0.5
313.15689	0.5
354.15942	0.5
432.21500	4.3
432.26898	1.3
433.22061	0.5
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
55.01854	1.8
55.05495	1.8
56.05035	1.5
57.03426	2.4
60.04503	3.2
61.02915	1.4
64.33505	0.9
69.03434	6.6
69.07033	0.8
70.06585	13.3
71.06915	1.1
71.70638	1.3
72.08150	16.5
73.02910	1.7
74.06059	2.7
81.03381	1.4
83.06094	1.1
83.62107	0.7
84.04488	5.1
84.08140	19.0
85.02897	18.7
85.50961	0.8
85.94114	0.8
86.06048	1.1
86.09699	21.0
87.04461	1.9
87.05559	2.2
88.03976	1.7
89.03920	1.5
89.13744	0.8
90.05547	100.0
91.05435	1.9
97.02893	9.4
99.04436	1.0
101.00874	1.1
101.07124	1.8
102.05509	1.1
104.07083	3.4
105.83176	0.8
109.02868	1.7
110.01395	0.8
110.07149	2.1
115.03960	0.8
116.07060	0.8
116.98560	1.3
117.03326	1.2
118.08601	1.3
119.01924	4.9
122.01357	2.5
123.01305	0.9
127.03905	14.9
127.08665	1.6
129.06570	1.2
129.10229	14.1
130.05014	1.2
130.08611	2.1
130.09540	0.9
131.01880	7.5
131.51965	3.4
132.01801	2.4
132.95848	1.3
133.06041	1.7
134.99574	1.1
135.04387	2.6
136.07561	2.2
137.01889	4.6
137.51904	1.0
138.01781	1.4
138.51790	1.0
141.06563	1.1
141.10158	0.9
143.01878	7.9
143.11800	1.0
143.51938	3.4
144.01796	1.5
144.63898	0.8
145.02873	1.4
145.04948	12.0
146.21848	0.8
147.07620	1.2
147.11276	2.6
148.06038	1.0
149.01938	0.9
150.01979	1.0
152.02373	3.4
152.52504	1.8
153.02310	0.8
154.52773	1.2
155.08206	0.9
157.09714	1.3
157.13371	1.2
158.02379	1.7
158.09143	1.0
158.99594	2.9
159.07607	2.3
161.02988	6.6
163.03870	11.1
163.06021	2.7
169.09702	1.0
173.02916	5.8
173.53012	2.9
174.02922	1.2
174.96800	0.8
177.00668	1.9
177.05478	1.5
182.03476	1.2
185.02914	1.6
185.09247	1.1
185.12965	0.8
186.96875	1.0
187.10770	1.2
200.13902	1.0
201.12308	1.2
203.03976	8.9
203.54085	6.3
204.03920	3.5
210.04457	1.7
211.00522	0.8
212.04565	0.9
216.98082	1.4
219.01773	1.0
221.05103	1.1
223.10883	0.9
224.04495	2.7
224.54732	1.5
225.04404	1.9
230.11267	2.0
232.12885	1.0
234.98965	1.1
240.13396	1.6
245.05104	1.9
246.07722	1.1
246.14551	1.6
247.12917	1.1
248.16066	1.2
252.95598	2.2
270.16946	3.0
270.96719	1.4
276.99988	2.6
284.56625	1.6
285.06354	1.1
316.98407	2.7
429.54190	0.9
432.02570	1.0
432.24692	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	431.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
56.05025	1.0
57.05815	0.4
60.04521	1.1
67.05496	0.3
69.03419	0.4
69.07056	4.0
70.06586	13.0
70.21465	1.3
71.06919	0.5
72.08146	37.9
73.08479	0.6
74.06057	0.5
84.04027	0.5
84.04493	4.4
84.04961	0.4
84.08134	3.1
84.67136	0.3
85.02892	0.5
86.09695	100.0
87.10020	2.2
88.03978	0.7
89.02431	0.2
91.05468	0.6
93.06989	0.3
100.24821	0.2
101.07134	0.3
102.05531	3.0
103.38076	0.2
104.05309	0.7
106.04968	0.3
110.07129	1.5
112.08684	0.5
113.07098	0.4
115.08630	0.3
115.17263	0.3
116.07040	0.8
120.06580	0.3
120.08109	2.1
126.05473	0.3
129.06567	0.5
129.10229	1.7
129.83939	0.2
130.05006	0.9
132.10144	0.5
136.07573	0.7
138.09145	0.4
143.11787	0.9
147.07594	0.6
148.06041	0.4
148.08063	0.2
155.08139	0.5
156.10196	0.4
157.13326	0.8
159.09114	0.4
170.05946	0.3
170.11720	0.3
171.11328	0.4
173.09177	1.2
183.11229	0.9
183.14914	0.9
185.09143	0.4
185.13000	1.3
185.16473	23.9
186.16801	0.5
187.10786	0.4
189.12286	1.4
194.00304	0.6
195.00687	0.4
197.12816	0.6
199.18010	1.2
201.08734	1.6
201.10437	0.4
201.12317	4.3
203.13876	2.4
207.01064	0.3
208.01370	0.8
209.02612	0.8
210.02946	1.1
211.10837	0.4
211.14323	0.4
213.15952	23.7
214.16266	1.0
215.13895	1.5
219.13382	19.3
220.13728	0.7
221.17429	0.3
222.13240	0.5
227.17494	1.1
229.11765	1.8
231.17050	1.1
233.14867	0.5
243.13300	1.0
247.12917	1.4
248.10440	0.3
261.14487	0.6
281.22186	0.7
286.17450	0.4
300.15506	0.5
326.24319	4.1
361.19778	0.3
413.27444	0.4
431.21457	0.4
431.28470	0.9
432.22217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21555	0.3
55.01862	0.4
55.05502	8.8
56.05020	2.3
57.03433	0.4
57.05802	0.7
58.06600	0.5
60.04517	2.5
61.01136	0.4
67.05491	0.6
69.03413	0.9
69.07061	3.7
69.38760	0.3
69.90835	2.3
69.99849	0.3
70.02932	0.7
70.06583	26.0
71.06917	1.6
72.08144	100.0
73.02907	0.4
73.08470	2.3
74.06071	2.6
76.02229	0.7
76.04027	0.4
82.06602	0.5
83.04965	0.6
83.06087	0.9
84.04491	7.7
84.07626	0.7
84.08135	12.6
84.26298	0.4
85.02888	1.8
85.04824	0.4
85.08459	1.4
86.09693	93.9
87.05585	0.7
87.10014	3.0
88.03976	1.7
89.05998	0.4
91.05437	0.6
97.02896	0.5
98.06032	0.7
98.98472	0.4
101.07109	0.7
102.05504	3.2
104.05284	0.8
106.04980	0.9
107.04889	0.7
107.08566	0.3
108.99176	0.4
110.07143	4.2
111.09164	0.5
112.07565	0.8
112.08714	0.9
114.09158	0.4
115.08659	1.2
116.07070	1.5
118.06849	0.8
119.04917	0.4
119.08627	0.4
120.04483	0.8
120.06577	3.6
120.08075	2.6
123.08047	0.4
125.07056	0.4
126.05515	0.5
127.03860	0.7
129.06572	0.8
129.10223	10.4
130.05000	2.7
130.06511	0.4
130.08594	1.2
130.10611	2.1
131.08267	0.3
133.06084	0.6
133.84705	0.4
136.07547	2.0
138.05502	0.4
141.10216	0.5
143.11761	1.5
144.06543	0.4
145.04909	0.4
147.07623	0.7
147.11298	0.4
148.06012	3.0
155.08084	0.5
155.11845	0.5
157.06085	0.4
157.09679	0.6
157.13318	4.3
161.09216	0.7
162.02126	0.4
163.03812	0.5
167.08131	0.6
171.11223	1.3
173.12839	1.2
179.04761	0.4
183.14902	0.8
185.09091	0.8
185.12883	5.0
185.16464	31.9
186.08896	0.4
186.16875	0.9
189.08760	0.4
189.12305	2.1
189.97028	0.6
193.96600	0.4
197.12842	0.6
198.05406	0.4
201.12306	4.7
203.10229	0.6
203.13835	0.6
207.01086	0.4
207.06389	0.6
207.98175	0.4
209.02599	0.8
210.02950	0.9
212.10382	0.4
213.08664	0.6
213.15950	32.1
214.16269	1.0
215.13849	2.0
219.13376	25.2
220.13625	0.8
223.97672	0.4
228.13387	0.8
229.11707	0.6
229.15555	2.0
229.43382	0.4
235.97614	2.0
239.17532	0.8
242.18633	0.6
243.13318	2.5
245.65442	0.4
247.12857	5.5
251.97112	0.8
252.97859	0.6
261.14288	1.4
267.20578	1.0
270.07645	0.6
277.98721	0.6
284.16693	0.4
284.19580	2.6
308.09000	0.8
312.19333	0.5
312.22763	5.9
332.21689	0.6
342.20303	0.4
380.46234	0.3
387.16248	1.8
409.76300	0.4
413.19376	0.4
413.27444	0.8
430.74683	0.4
431.10126	0.4
431.15509	3.9
431.20932	1.0
431.29636	2.0
432.15555	0.8
432.27319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2497
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
51.52374	0.2
52.12114	0.3
53.03922	0.2
55.01842	0.3
55.05503	2.5
56.05028	2.8
57.05817	0.6
58.06594	0.6
59.07805	0.3
60.04516	1.5
60.05642	0.4
61.01132	0.5
67.05502	0.4
68.05024	0.4
69.03401	0.5
69.07056	5.2
69.78036	1.8
70.02963	0.6
70.06582	32.9
71.04988	0.3
71.06897	1.3
72.08144	26.4
73.08491	0.4
74.02441	0.3
74.06063	1.6
74.09768	0.2
75.05582	0.3
76.03981	0.5
79.05473	0.3
81.03434	0.5
81.07024	0.6
83.06098	0.7
84.04491	6.9
84.08133	9.4
85.02895	1.0
85.08443	0.3
86.09692	100.0
87.05591	0.8
87.10019	2.6
88.03983	1.7
91.05467	0.9
93.07016	0.5
95.06032	0.3
95.08606	0.4
96.08131	0.7
97.02880	0.4
98.02392	0.6
98.06047	1.0
99.04459	0.5
100.07587	0.3
101.07123	0.7
102.05529	5.2
103.05448	0.4
104.05312	0.9
107.04974	0.3
107.08572	0.5
108.08160	0.3
109.02872	0.4
109.10151	0.3
110.07152	3.4
112.07574	0.7
112.08701	0.8
113.07114	0.5
114.05529	0.3
115.08654	0.7
116.07063	1.4
119.04923	0.4
119.54596	0.2
120.06610	0.6
120.08089	6.6
121.08423	0.7
121.10121	0.4
122.02699	0.3
126.05522	0.6
127.03879	0.3
127.08646	0.4
129.06586	0.8
129.10219	6.7
130.05011	1.3
130.06459	0.5
130.08635	0.6
130.10568	0.6
131.11784	0.2
132.08052	0.9
132.10172	0.8
133.06093	0.4
136.07564	1.6
137.04565	0.4
137.05945	0.3
138.09132	0.5
139.08598	0.4
141.06587	0.6
141.10190	1.9
143.11769	3.6
144.06561	0.3
147.04335	0.6
147.07637	0.9
147.11369	0.4
148.06042	2.6
152.06987	0.3
155.08102	0.8
155.11899	0.3
156.07684	0.7
156.10205	0.8
157.09714	0.5
157.13338	3.1
159.07730	0.5
159.09143	1.5
162.07603	0.5
163.03905	0.5
166.08540	0.5
167.08118	0.3
169.09746	1.3
169.13408	0.5
170.05978	0.7
170.11641	0.4
171.07716	0.2
171.11250	2.3
171.14847	0.3
172.07147	0.3
173.09184	0.8
173.12872	0.8
183.11264	1.2
183.14964	1.3
185.09125	0.4
185.12849	3.3
185.16460	5.2
187.07103	0.3
187.10728	1.1
189.12334	4.3
195.11208	0.4
197.12836	1.7
199.10641	0.4
199.18005	2.0
201.08679	0.6
201.10497	0.5
201.12317	6.0
203.13885	4.4
205.11841	0.7
211.10922	0.3
211.14413	0.6
213.12465	0.4
213.15936	5.9
215.13875	4.9
217.13312	0.6
219.13335	5.0
219.15112	0.3
220.16951	0.5
225.12251	0.5
226.15421	0.3
227.17520	1.3
228.13388	0.6
229.11781	3.7
231.09772	0.3
231.13466	1.3
231.16864	0.6
238.17918	0.6
239.17540	0.4
240.19485	0.6
242.15022	0.3
243.13333	4.9
243.15532	0.3
246.12421	0.3
247.10468	0.3
247.12837	4.7
247.18387	0.3
261.14349	3.2
270.17761	0.3
281.22308	0.3
284.15921	0.3
284.19650	1.4
286.17825	0.3
298.21097	0.4
300.15411	0.9
300.18915	0.3
318.16544	0.5
326.24353	1.4
341.11319	0.3
342.19986	0.6
370.17731	0.3
429.80753	0.3
430.77820	0.8
431.20590	0.9
431.24347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61489	0.4
52.81846	0.4
55.05493	0.8
57.07062	4.6
58.07396	0.6
60.91130	0.5
62.95549	0.5
67.05502	2.6
69.07037	1.3
69.76907	1.0
69.77325	2.3
71.08614	2.2
72.08951	0.5
75.86001	0.4
79.05512	0.5
81.07037	2.2
83.04967	0.9
83.08592	0.7
85.10178	1.0
86.82110	0.4
91.05432	0.7
93.07029	1.8
95.08570	1.5
97.10152	0.4
102.48338	0.4
105.07035	0.5
107.08576	1.3
108.34791	0.4
109.10141	5.1
110.10458	0.5
119.08569	3.3
121.06489	10.0
121.10104	0.8
122.07291	1.0
122.21274	0.4
127.73431	0.5
135.08044	1.6
136.08826	13.3
137.09593	12.8
138.09921	1.0
145.10129	0.6
149.05986	0.7
149.09561	3.3
151.07523	0.4
152.08261	0.5
159.11667	1.0
163.11171	3.3
164.08315	29.5
164.11473	1.6
165.09090	100.0
166.09413	9.9
173.09554	0.5
173.13135	0.5
174.10031	0.5
176.11504	0.6
177.09103	2.6
177.12762	0.8
178.09546	1.4
187.11081	0.8
190.09828	0.9
191.10625	2.3
192.10968	1.2
203.14496	0.4
205.12216	7.7
206.12596	1.2
213.31967	0.4
219.13837	0.6
220.14194	0.7
228.37212	0.5
384.82190	0.5
401.14996	0.4
412.36584	0.6
430.37952	99.4
431.38306	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03917	0.4
55.05481	1.4
57.07062	2.5
59.44638	0.3
61.16432	0.3
67.05496	2.6
69.07058	3.2
69.42772	0.8
69.43172	3.2
71.08608	2.0
79.05457	0.8
81.07056	3.1
83.08603	2.3
85.10149	0.9
91.05436	0.5
95.08597	2.6
97.10148	1.4
105.06989	0.7
107.08578	0.7
109.10152	2.9
111.11703	0.8
119.08597	1.6
121.06521	0.5
121.10056	0.5
122.07258	1.1
123.11678	0.5
125.05991	0.4
135.08022	0.7
136.08853	0.4
137.08632	0.6
137.09598	7.7
138.09996	0.5
149.09615	1.8
151.07472	0.5
159.11697	0.5
163.07549	0.5
163.11108	0.5
164.08255	0.6
165.09087	100.0
166.09471	3.1
177.09099	1.0
179.10648	1.2
187.11147	0.3
190.09792	0.6
191.10640	1.0
205.10393	0.7
205.12215	7.8
206.12540	0.5
227.50793	0.4
345.62885	0.3
429.16934	1.3
429.31793	0.5
429.37097	4.9
430.17355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05495	1.8
56.05029	2.4
58.06582	0.3
58.99559	0.4
59.04989	0.5
60.04514	2.2
60.05631	0.3
61.01134	0.5
61.02912	0.3
65.03954	0.3
67.05481	0.7
68.05013	0.4
69.03419	1.2
69.07054	3.1
69.98822	1.2
70.02942	1.3
70.06582	37.0
71.04974	0.4
71.06284	0.4
71.06911	1.7
72.08145	18.4
73.08473	0.4
74.00644	0.5
74.02415	0.5
74.06068	2.7
75.05598	0.3
76.02212	0.9
76.03996	0.4
79.05478	0.7
81.03409	0.7
82.06542	0.5
83.06084	1.6
83.54813	0.3
84.00311	0.4
84.04494	8.2
84.08133	18.0
85.02898	3.1
85.08456	0.8
86.06055	0.8
86.09694	56.4
87.00788	0.3
87.04459	0.8
87.05573	1.9
87.10022	1.5
88.03981	7.3
89.06027	0.4
89.07140	3.5
91.05428	1.9
93.07027	0.4
94.06562	0.6
95.06068	0.3
95.08624	0.3
96.08118	0.5
97.02875	0.9
97.03962	0.2
97.07654	0.3
98.06046	1.1
98.09682	0.4
99.00814	0.5
101.07139	1.8
101.10751	0.5
102.05529	3.4
104.05310	0.9
104.07080	1.7
105.01859	0.5
106.05023	0.5
107.04955	1.3
108.08129	0.4
109.01140	0.3
109.02870	1.0
109.06459	0.3
110.06046	0.6
110.06432	0.3
110.07154	4.4
110.09653	0.3
111.09171	0.4
111.99834	0.4
112.08715	0.9
113.07102	0.5
115.05054	0.3
115.08671	1.8
116.01652	0.3
116.03368	0.3
116.07081	2.5
119.04918	1.1
120.01080	0.3
120.06621	0.5
120.08098	4.6
121.01054	0.9
121.08443	0.3
121.10088	0.3
122.02711	0.4
122.05999	0.6
123.02651	1.1
123.06808	1.0
123.99770	0.3
124.07578	0.6
125.07053	0.3
126.05502	0.3
127.03980	1.3
127.08652	0.6
128.07065	0.3
129.06551	1.3
129.09245	0.7
129.10220	13.6
130.04970	2.8
130.06532	0.5
130.08606	0.7
130.10617	0.3
132.08078	0.5
132.10199	0.6
133.06075	4.3
134.08139	0.4
135.99786	0.6
136.07552	4.4
137.06049	0.3
138.05424	0.4
138.09111	0.5
139.99306	0.3
140.07085	0.4
141.10210	1.1
143.08200	0.4
143.11784	2.4
144.01260	0.3
144.06569	0.4
145.04948	1.3
147.04378	2.4
147.07613	3.6
147.11343	0.8
148.06038	1.7
148.07538	0.6
149.00554	2.4
150.05519	1.1
150.98462	0.8
151.02078	0.8
153.10211	0.3
155.08136	1.0
155.11746	0.6
156.07635	0.5
157.09796	0.4
157.13338	6.8
158.09224	0.3
159.07805	0.3
159.09142	0.8
161.09377	0.3
162.05446	0.3
163.05960	0.4
163.08679	0.4
163.99234	0.5
164.04662	0.4
164.07019	0.5
165.00043	1.5
165.05478	0.5
166.00822	2.5
166.04987	1.1
166.08560	0.4
167.08199	0.4
167.98758	0.7
169.09698	0.7
169.13362	0.6
170.05855	0.3
171.11209	1.4
173.12901	0.5
177.05489	0.6
179.01591	3.3
179.03143	0.4
179.06999	1.2
180.02411	0.6
182.12823	0.4
183.07684	1.4
183.11281	0.9
183.14883	2.5
185.09151	0.4
185.12833	6.3
185.16400	1.4
186.12332	1.0
187.02332	1.0
187.07211	0.5
187.10808	0.4
187.14519	0.4
189.12392	0.7
191.98727	11.0
192.99522	0.9
193.01680	0.3
193.03261	0.6
194.00307	33.8
195.00697	0.8
195.11259	0.5
196.14403	0.6
197.12794	1.0
197.16420	0.5
199.10840	0.3
199.14421	0.4
199.17963	0.9
200.10287	5.2
200.13972	0.8
201.12387	0.5
203.10252	2.9
203.13791	0.6
204.10161	0.5
204.13902	0.3
205.03386	1.0
207.01083	50.5
208.01408	0.9
208.04274	1.3
209.02646	100.0
210.03008	2.3
210.12352	0.4
211.14291	1.2
213.15977	0.7
214.11880	0.7
215.13914	0.8
217.11652	0.7
220.16914	0.6
223.07507	0.6
225.02341	0.3
226.11871	0.5
227.17542	0.3
228.13458	1.5
229.11768	1.3
229.15373	0.5
231.16988	1.4
232.13335	1.7
233.02597	0.3
238.18011	0.9
242.14983	1.2
242.18518	0.4
243.13426	0.3
246.14473	7.7
250.05360	0.5
250.08475	0.5
250.14362	6.1
251.14766	0.4
253.18965	0.6
254.04797	0.9
256.19055	0.7
260.16077	1.5
262.08682	0.3
268.09430	0.3
268.15445	4.1
270.18192	0.3
283.14319	1.0
284.19623	0.4
285.19254	0.3
286.17676	0.5
296.05878	1.3
298.21121	2.0
299.17059	0.9
313.18710	0.6
313.22168	0.6
316.18628	0.9
321.00391	0.3
327.20233	0.3
339.05429	0.3
341.21652	0.6
370.17746	0.7
379.18301	0.6
380.26010	0.3
384.07407	0.6
412.19766	0.6
412.25116	0.6
413.25040	0.3
429.27383	1.2
430.07990	8.7
430.14175	0.6
430.20502	4.0
430.25302	0.6
430.29953	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	429.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
53.38187	0.2
55.01864	0.3
55.05499	1.6
55.74704	0.2
57.03428	4.6
57.07056	0.8
65.03928	0.6
67.05495	8.9
69.07061	2.0
69.41479	2.6
69.41889	0.4
71.04973	0.3
71.08604	0.4
79.05482	7.6
79.05949	0.4
81.03413	0.3
81.07046	10.1
82.07347	0.3
83.08598	1.3
85.06570	0.4
90.57909	0.2
91.05460	4.7
93.07030	11.5
94.07398	0.3
95.04962	1.0
95.08040	0.5
95.08597	6.9
97.06541	0.3
97.10144	0.6
98.98473	0.6
99.08085	0.6
105.07014	3.9
107.08578	6.8
109.06522	0.2
109.10143	4.1
109.32918	0.2
111.08052	0.8
113.00002	100.0
113.09630	0.5
117.06984	1.5
119.08570	2.8
121.09292	0.4
121.10128	5.9
123.08032	0.4
123.11667	1.4
123.32185	0.2
125.09684	0.3
131.01025	1.0
131.08554	3.8
133.10112	2.4
135.11671	5.4
137.09579	0.5
137.13243	0.7
139.01540	0.7
145.10095	2.9
147.11685	2.1
149.09610	0.6
149.13220	3.9
151.01602	0.3
151.14861	0.3
154.02547	1.2
155.01048	0.8
159.11679	2.7
161.13246	2.0
162.67540	0.3
163.11098	0.3
163.14809	3.1
165.12790	0.3
165.16287	0.3
169.02589	96.0
170.02994	1.4
173.13243	2.8
175.14780	0.9
177.16328	0.9
187.14766	1.5
191.14212	0.4
201.16313	0.8
219.17430	0.3
233.22597	1.3
243.18764	0.5
243.21066	6.9
244.21266	0.3
261.22113	19.9
262.22437	1.1
275.23618	0.9
328.51834	0.3
369.64316	0.2
429.23767	2.7
429.33594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.372
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05495	1.8
56.01187	0.9
57.07069	16.5
60.41662	0.7
67.05478	4.4
69.07047	3.9
70.84232	1.3
70.84623	1.6
71.08617	11.5
79.05477	2.0
81.07049	6.6
82.28360	0.9
82.99651	0.7
83.04946	1.1
83.08600	2.7
85.10167	5.2
91.05482	2.1
93.07031	1.9
95.08606	7.5
97.06519	1.0
97.10130	1.8
105.07011	2.2
107.08559	3.6
109.10149	5.7
111.04436	1.0
111.11736	1.3
119.08562	2.5
121.06474	1.2
121.10121	3.8
122.19594	0.7
123.08099	1.4
123.11695	1.6
131.08572	1.7
133.10094	1.7
135.08038	3.6
135.11667	2.2
136.08830	1.0
137.09589	8.7
139.07541	1.8
145.10077	1.7
147.11679	1.0
149.09596	13.1
150.09813	0.8
151.07503	1.9
159.07967	0.9
159.11699	2.3
161.09567	1.6
161.13251	0.9
163.07512	0.8
163.11160	20.2
164.08281	2.1
165.09094	100.0
166.09399	2.2
173.09657	2.0
173.13268	1.4
175.07516	1.4
175.11179	5.3
176.08235	1.4
177.09068	10.3
177.12750	2.4
179.10680	1.2
186.10336	0.9
187.11133	2.5
187.14893	0.9
189.12744	2.1
190.09836	1.1
191.10646	9.3
196.69783	0.8
201.12701	2.2
203.10654	1.2
203.14319	1.1
204.11317	0.8
205.12222	10.3
215.14241	2.2
219.13771	5.3
229.15933	1.1
233.15298	2.6
247.17090	2.0
261.18561	1.1
275.20139	1.3
289.21542	1.5
303.23087	1.8
345.27817	1.2
359.29138	0.8
373.30930	1.2
401.34082	3.1
411.36169	2.9
422.78748	0.8
429.31915	4.6
429.37207	61.6
430.37616	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	428.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02935	0.8
53.03938	1.1
53.44456	0.8
55.01862	1.4
55.05505	7.6
56.05022	2.6
58.06601	5.2
59.04970	1.5
66.01791	0.8
67.05496	8.8
69.03429	4.3
69.07053	6.2
69.43147	9.1
69.78391	0.7
70.06580	29.6
71.04993	1.5
71.06926	0.8
72.08143	2.4
79.05488	4.5
81.03413	1.8
81.07048	16.5
82.06573	1.7
83.04992	1.4
83.08599	3.2
84.04485	2.5
84.08117	4.3
85.02885	8.8
85.06522	3.0
86.09692	23.9
87.04460	1.3
91.05444	4.8
93.07036	6.1
95.01325	1.1
95.04953	3.8
95.08595	12.9
96.08118	2.0
97.02877	3.5
97.06501	1.7
97.10169	2.0
98.09680	2.1
99.04418	1.2
105.01840	1.5
105.07002	4.6
106.07364	1.1
107.04975	0.8
107.08586	5.0
108.08138	1.4
108.08867	0.8
109.02857	2.3
109.06480	2.9
109.10161	2.8
109.51377	0.7
110.07126	1.5
110.09645	1.1
111.08110	1.0
119.08570	3.4
120.08077	3.2
121.06499	1.3
121.10116	3.3
121.10894	0.8
122.09666	1.5
122.10447	0.8
123.04381	1.4
123.08075	1.4
123.11691	1.6
125.09580	1.1
126.09149	0.8
127.03900	4.2
127.07567	1.4
129.10217	1.7
130.06473	0.8
131.07294	2.1
131.08549	1.7
132.08017	0.7
133.10107	2.1
135.08061	1.0
135.11674	1.1
136.06151	1.9
137.05988	1.4
138.12656	0.9
140.10635	0.9
143.08496	1.3
143.11783	4.2
145.04938	1.8
145.10100	3.4
146.11743	2.3
147.11615	1.2
149.09628	1.4
149.13159	0.7
151.07565	1.0
157.09973	1.1
159.02893	1.1
160.12024	1.0
161.06049	0.9
163.11151	6.2
164.11546	1.6
165.06886	0.7
165.09113	1.8
166.09554	0.8
167.07048	0.8
171.11317	2.6
181.12180	0.9
187.11011	1.0
188.11549	0.9
194.19011	1.0
209.08368	1.7
213.09007	0.8
216.10944	1.0
220.16983	2.2
222.18503	28.2
223.18834	1.4
224.10678	16.1
225.10962	2.1
231.04965	1.2
233.11850	0.8
234.12085	1.1
238.17982	5.1
239.18645	2.5
239.68954	3.2
240.19551	95.3
241.19844	4.5
243.70540	0.7
258.20615	3.7
259.20203	2.6
266.11731	13.9
267.12164	1.3
284.19638	1.4
367.22644	0.9
428.30054	100.0
429.30515	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	428.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05023	0.2
57.62755	0.1
67.05496	0.1
69.03396	0.4
70.06210	0.2
70.06586	2.9
70.77848	0.1
70.86185	0.1
70.91235	0.3
70.91573	0.3
71.04999	0.1
71.06120	0.4
72.08139	0.7
74.06054	0.2
75.27522	0.1
79.37624	0.1
81.03400	0.4
84.04483	0.6
84.08130	0.9
85.02890	1.1
86.09686	1.0
87.00811	0.5
87.04451	0.3
91.05415	1.0
92.05776	0.6
97.02881	0.5
98.06046	0.1
102.05530	0.1
104.07074	0.4
105.01836	0.4
105.07014	0.2
109.02872	0.2
110.02778	0.2
110.03512	3.6
110.07157	0.4
112.92473	0.1
120.08078	0.1
122.05892	0.1
127.03911	0.6
128.04535	0.6
129.10204	0.5
130.04980	0.2
135.02977	0.4
136.06168	2.6
136.07285	0.1
136.07635	0.1
137.08205	1.9
141.10210	0.3
145.04951	0.3
147.07561	0.2
147.87428	0.1
150.07793	0.2
153.04056	1.9
162.07780	0.8
162.12776	0.6
163.03862	0.2
165.06393	0.6
168.04770	1.1
169.05112	0.9
169.09709	0.3
170.04332	0.2
178.07158	0.2
180.08774	100.0
181.07385	0.1
181.09171	1.5
183.15002	0.2
195.09044	0.1
244.12836	0.3
264.13098	0.1
295.05957	0.3
348.06448	0.2
384.19958	0.6
428.14362	1.2
428.19153	0.9
428.25043	0.9
429.14392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01858	3.2
55.05505	8.2
56.05014	1.0
57.03413	1.6
58.06587	1.9
62.45971	0.8
66.77914	0.8
67.05496	7.8
68.99772	0.8
69.03422	3.9
69.07057	10.8
69.27634	8.2
70.06585	15.4
71.04975	2.5
72.08140	1.5
79.05482	13.8
81.03401	3.2
81.07038	12.3
81.07469	1.4
82.06577	2.0
83.04977	7.9
83.08600	1.9
84.04470	1.5
84.08141	2.0
85.02895	3.5
85.06512	0.8
86.09700	3.9
91.05467	8.7
93.07032	16.5
94.06554	1.3
95.01280	2.2
95.04951	8.2
95.08589	8.3
96.07557	0.7
96.08121	2.4
97.02879	2.3
97.06523	9.3
98.09671	1.0
99.04433	3.5
100.07581	1.2
100.11237	4.7
103.05437	3.9
105.07008	20.6
106.07388	1.0
107.04941	15.4
107.08578	12.5
108.08099	3.3
108.85296	0.7
109.02849	2.7
109.06512	6.3
109.10133	2.7
110.06004	0.9
110.07153	1.5
111.04432	1.8
111.08064	1.5
117.06986	7.1
119.04916	6.0
119.08549	9.1
120.08098	3.0
121.06484	15.7
121.10137	6.3
122.09663	1.8
123.04420	4.0
123.08064	2.0
123.11668	1.3
125.05970	7.9
127.03909	2.3
128.06232	1.0
128.07124	0.9
129.06958	2.2
129.10297	0.8
130.07745	2.7
131.04918	4.8
131.08572	6.4
133.06502	5.7
133.10143	4.7
135.04430	1.4
135.08037	5.6
135.11667	7.5
136.06146	1.1
137.05957	5.5
137.09560	1.1
139.07553	3.0
141.01804	2.4
141.06979	1.9
141.11458	0.9
143.07036	2.8
143.08566	3.1
144.09328	2.0
145.04892	0.8
145.06445	2.6
145.10103	41.4
146.10570	1.2
147.04366	8.0
147.08034	3.5
147.11652	11.1
148.08673	1.2
148.12036	1.1
149.05943	1.1
149.09564	1.7
151.07527	3.0
154.07762	1.8
155.07051	0.8
155.08470	1.2
157.06549	1.1
157.08591	2.3
157.10081	1.3
158.07271	1.8
159.08000	2.1
159.11676	8.5
161.06029	1.0
161.09671	1.7
161.13264	2.9
163.07504	3.4
163.11156	100.0
164.11520	3.4
165.05516	1.5
165.09093	2.6
165.12715	1.7
169.10083	3.9
171.11639	2.3
172.08754	1.3
173.09598	38.4
174.10054	0.8
177.03952	1.1
177.05443	1.6
179.07008	1.6
181.12209	9.4
182.15402	3.1
187.11133	16.3
189.12698	7.5
191.10632	22.2
191.14273	1.2
197.09570	2.8
201.03922	0.9
205.12199	9.4
207.13835	2.8
209.11609	1.3
209.16483	1.3
210.14851	3.7
215.10651	17.3
218.15428	0.8
220.16925	7.6
221.17265	2.0
222.18500	7.0
223.18866	1.6
225.14844	1.0
227.12750	6.8
230.18347	1.0
230.68546	0.9
233.11679	37.6
234.11963	1.0
238.17986	13.1
238.68137	2.4
239.18747	49.7
239.68921	22.9
240.19527	34.8
241.19888	7.9
251.12741	11.5
260.69495	1.4
314.22287	0.9
327.22983	3.6
329.92227	0.9
330.26013	1.3
343.30826	1.1
363.14746	1.1
365.71017	1.1
373.69797	0.8
387.23895	1.1
391.13809	3.8
396.24280	3.7
396.74594	2.7
409.14914	2.3
426.72992	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	427.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01871	3.4
55.05498	4.7
56.05007	0.8
57.03413	1.0
58.06580	1.1
59.04983	0.8
65.03925	1.7
67.05495	11.0
68.99776	1.0
69.03423	4.4
69.07059	10.0
70.06585	15.7
71.04993	3.1
71.06947	0.7
72.08138	3.6
73.06487	0.7
74.06066	1.2
76.02248	0.7
76.58881	0.6
79.05479	16.9
81.03391	2.1
81.07048	31.0
83.04968	9.0
83.08610	1.3
84.04475	1.6
84.08127	4.2
85.02890	4.4
85.06531	3.3
86.09690	10.8
87.09975	0.8
89.05999	1.2
91.05473	12.3
93.06477	1.2
93.07034	16.9
94.06546	1.2
95.01307	6.2
95.04954	15.2
95.08595	6.8
96.08113	1.0
97.02881	1.6
97.06519	13.6
99.04440	5.1
100.11231	1.0
103.05452	2.4
105.07015	23.0
107.04945	11.5
107.08577	16.5
108.08105	2.3
109.02880	1.0
109.06499	22.1
109.10130	2.0
110.07146	1.4
110.09608	1.1
111.04426	2.1
111.08052	2.0
112.08693	0.8
113.02349	1.4
113.05988	1.3
115.05451	0.9
117.07004	8.5
119.04903	5.8
119.08579	8.7
120.08099	11.0
121.02840	0.7
121.05649	1.1
121.06482	17.4
121.08416	3.2
121.10117	5.7
122.09643	0.9
123.04442	3.6
123.08051	1.6
123.11682	0.8
125.05980	10.7
127.03914	1.3
127.07552	6.3
128.06166	0.7
129.01805	1.7
129.06981	2.5
129.10194	1.6
130.04967	0.9
130.07739	2.8
131.04874	1.6
131.08551	7.8
132.08011	0.7
133.06461	8.3
133.10121	3.0
135.04424	1.5
135.08035	4.9
135.11670	6.7
136.07599	1.2
137.05954	9.8
139.07491	3.7
141.01808	5.1
141.05482	1.2
141.06937	1.7
142.07782	0.9
143.06989	5.9
143.08539	5.0
144.09312	1.8
145.06490	3.1
145.10100	48.4
146.07246	0.9
146.10391	1.2
147.04387	3.2
147.08049	2.0
147.11684	6.1
148.08774	1.3
149.05978	1.4
149.09590	2.2
151.07568	3.1
153.05415	1.8
154.07719	1.3
155.07010	4.3
155.08492	1.8
157.08618	1.2
157.10039	1.4
157.74478	0.6
158.07257	2.7
159.08037	3.3
159.11671	14.0
161.09659	1.8
161.13240	2.9
163.07486	1.8
163.11156	100.0
164.11568	2.0
167.07062	1.1
169.10098	4.2
171.08022	1.8
171.11652	2.1
172.08804	1.3
173.08104	1.5
173.09599	27.7
175.07454	1.2
177.03905	2.0
177.05418	0.8
177.12646	3.3
179.14250	0.8
187.11159	29.2
189.09029	0.9
189.12650	3.6
191.10641	25.7
197.09636	3.0
201.03870	1.3
203.12697	1.1
205.12216	17.8
209.11732	5.1
210.14871	1.2
215.10635	27.2
220.16914	2.9
221.17238	1.5
222.18391	3.8
223.13264	2.3
223.18901	1.1
233.11702	41.5
234.16801	1.6
238.17998	12.7
238.68187	6.8
239.18648	8.9
239.68900	2.2
240.19559	14.0
241.19919	2.6
251.12750	10.2
269.13821	1.8
295.08139	0.8
328.20255	0.9
349.12857	2.0
363.14182	2.6
373.12637	1.6
391.13812	7.1
395.74078	0.9
396.22714	0.8
409.14719	5.3
426.57748	1.0
427.15887	5.3
427.31696	4.5
427.39981	0.7
427.73056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44035	0.7
55.01852	1.5
55.05503	1.6
67.05484	3.0
69.03416	2.7
69.07071	4.6
70.06564	3.4
71.04963	1.0
72.08115	1.0
74.08794	0.8
79.05492	6.3
81.03429	0.9
81.07046	7.0
83.04960	2.9
85.06515	3.5
87.47740	0.7
89.06014	0.8
91.05482	4.4
92.13358	0.8
93.07027	8.3
95.01320	1.8
95.04967	4.2
95.08569	3.0
97.06513	5.8
99.04426	3.3
102.30466	0.9
105.07023	8.6
107.04952	7.2
107.08580	5.2
109.06506	4.9
111.08061	0.9
117.06985	5.4
119.04939	8.5
119.08558	3.2
120.08033	1.9
121.06477	10.3
121.10116	1.9
123.07999	1.3
125.05967	4.1
127.07523	2.3
128.06197	0.8
130.07742	1.8
131.08542	2.5
133.06445	3.3
133.10123	2.1
135.04416	1.3
135.08032	2.3
135.11659	3.4
137.05937	3.7
139.07524	1.3
141.01765	1.4
143.06987	1.6
143.08568	2.1
144.09274	1.6
145.06413	1.5
145.10112	23.4
147.11653	2.4
148.08751	1.4
151.07527	1.0
154.07689	1.7
155.07027	1.1
158.07208	0.9
159.11662	5.8
161.09668	0.9
161.13293	0.9
163.11154	100.0
164.11522	3.2
169.10060	2.5
169.17242	0.9
173.09605	13.0
177.03960	0.9
187.11166	10.7
191.10622	15.9
197.09625	1.2
205.12198	8.1
209.11771	1.8
212.30824	0.8
215.10645	9.7
225.27197	0.8
229.20338	1.0
233.11696	28.5
234.12065	1.2
239.18678	1.3
239.69040	1.0
240.19534	5.0
251.12717	2.6
269.14066	1.1
292.27554	0.9
339.01538	1.0
391.14029	1.4
409.14700	2.1
428.30032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73500	0.1
55.01858	0.3
55.05490	0.8
56.05028	0.8
57.03428	0.2
57.04558	0.6
57.75830	0.2
59.04970	0.3
60.04504	0.5
60.05638	0.2
61.01139	0.2
64.29362	0.1
65.78634	0.2
67.05485	0.4
67.61160	0.2
68.05001	0.2
69.03421	0.5
69.07051	0.4
70.06583	13.6
70.11710	0.9
71.04979	0.7
71.06912	0.4
72.08143	2.2
73.02866	0.3
74.06070	1.1
79.05466	0.2
81.03398	0.2
81.07021	0.5
83.04951	0.2
83.06094	0.3
84.04496	1.9
84.07670	0.3
84.08131	3.6
84.08889	0.2
85.02873	1.1
85.04831	0.2
85.06516	0.3
85.08482	0.2
86.09194	0.3
86.09691	4.4
87.05572	0.2
87.10023	0.3
88.03971	0.5
91.05473	0.5
93.07020	0.4
94.04040	1.2
94.28171	0.2
94.44407	0.2
95.04981	0.2
95.08585	0.2
96.08114	0.2
97.02879	0.4
97.10160	0.9
98.06047	0.3
101.07129	0.3
102.05521	0.6
103.05452	0.5
104.05309	0.3
105.07016	0.3
107.04910	0.4
109.02893	0.3
109.05085	0.2
110.07147	2.0
112.08661	0.2
113.07144	0.2
115.08691	0.5
115.11198	0.6
116.07071	0.8
119.04913	0.3
119.08581	0.2
119.31525	0.2
120.08088	1.3
121.08430	0.2
123.04423	0.5
123.06652	0.7
124.07614	0.2
127.03867	0.3
127.08644	0.5
129.10243	1.7
130.04968	0.4
130.06677	0.2
131.04880	0.5
133.05057	0.3
133.06085	0.2
133.12234	0.2
136.06190	0.5
136.07516	0.9
137.05939	0.5
141.06531	0.2
141.12689	0.3
143.11761	0.2
147.04385	0.5
147.11314	0.2
148.06129	0.4
150.07727	100.0
151.03908	0.4
151.08168	0.9
155.08157	0.6
156.07646	0.2
159.09264	0.2
159.13731	0.3
162.04248	0.2
163.03909	0.3
163.07576	0.3
169.13359	0.3
171.11292	0.9
171.13773	0.3
173.12788	0.2
174.61272	0.2
175.11995	0.2
177.05518	0.2
179.03397	0.8
183.14902	0.2
187.10767	0.2
187.14456	0.2
199.10776	0.9
199.18167	0.2
209.05952	0.6
211.14218	0.3
217.11914	0.3
219.08037	0.4
223.07314	0.2
229.15488	1.0
229.17719	0.2
237.09064	0.9
247.07576	0.2
247.16826	0.3
265.08527	0.8
265.12653	0.6
277.55890	0.2
282.11926	0.8
283.09430	0.2
293.08118	0.5
295.11456	25.1
296.11761	0.5
312.18842	0.3
325.70184	0.5
340.72665	0.2
427.19220	0.6
427.25034	0.9
427.57715	0.3
428.26096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05491	1.9
55.78683	0.6
56.05017	2.8
58.06561	0.7
60.04492	2.5
67.05489	2.8
68.05031	0.7
69.03404	1.8
69.07056	1.0
69.56123	6.9
70.06580	30.2
71.04963	1.8
71.06916	1.7
72.08132	7.2
73.02884	0.8
74.06069	5.4
76.02212	1.1
78.21494	0.8
79.05473	2.0
80.04977	0.9
81.03423	0.7
81.07032	2.1
84.04491	6.3
84.08130	11.9
85.02874	1.2
85.08463	1.0
86.09691	12.1
87.05573	0.8
88.03960	1.5
91.05480	4.2
93.05739	0.7
93.07013	2.3
94.06539	4.0
95.04965	1.0
95.06093	0.6
95.08586	1.0
96.08119	1.8
97.01147	0.8
97.02876	1.4
97.06523	2.1
97.32787	0.7
98.06043	1.0
102.05521	1.4
103.05460	0.8
107.08566	1.7
108.04450	1.2
108.08098	1.6
109.02858	0.9
109.05274	0.9
109.06487	0.7
110.07146	6.4
110.87932	0.7
112.08727	1.7
115.08656	1.1
116.07086	2.1
119.04918	1.8
119.78864	0.7
120.08086	8.5
121.08378	0.8
122.02721	8.3
122.06012	37.7
124.07572	50.9
125.09636	1.2
126.05505	1.3
127.03923	0.7
127.08683	0.8
129.10208	6.9
130.04988	1.2
130.06589	0.8
130.08617	1.4
131.04950	1.1
136.07552	100.0
137.07904	1.3
138.09114	23.7
140.07043	1.7
143.10684	1.3
146.02728	0.8
147.04381	1.1
147.07677	1.1
150.05481	19.5
150.07706	2.4
152.07028	13.3
156.04738	1.6
159.13765	0.8
163.03864	1.2
164.07043	68.6
165.07367	1.2
166.08620	2.2
168.06583	2.3
170.08165	1.8
171.11320	1.0
179.03360	2.0
182.08095	20.3
191.08424	0.9
199.08966	2.0
213.12256	0.8
227.11726	2.1
242.11702	0.9
245.09525	11.7
251.09901	0.8
257.09482	1.5
259.14426	1.4
264.12231	1.7
269.12653	0.8
287.13873	21.5
287.17111	1.1
305.14890	31.8
306.15427	0.8
337.12259	1.1
359.20175	0.8
362.15201	1.7
363.13867	0.9
380.16272	3.3
408.15860	0.9
426.16898	42.9
427.17087	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.4
57.07071	71.0
67.05492	32.0
68.83094	10.0
69.07056	51.5
70.74117	21.0
70.74475	19.5
79.05490	23.4
81.07054	96.0
83.08607	27.2
89.06013	20.0
91.05465	20.7
93.07023	60.0
95.08587	100.0
97.10172	16.8
98.06049	10.8
105.07007	51.4
107.08573	69.7
109.10126	77.0
119.08575	49.9
121.10116	52.9
123.11689	35.7
131.08517	16.1
133.08554	14.1
133.10118	24.6
135.11656	25.2
137.13194	13.3
145.10124	26.9
147.11661	34.4
149.13231	41.0
159.11705	17.6
161.13237	30.2
163.14841	17.7
171.11691	12.2
177.16280	12.3
187.14842	12.5
189.16341	20.2
199.14626	12.3
203.17943	16.6
215.17802	11.3
217.19475	10.2
223.73203	11.2
239.14865	15.8
240.15289	14.6
245.15193	11.2
285.18542	11.2
341.24850	13.9
369.24554	12.1
425.26212	12.3
425.37854	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03927	2.7
55.05499	18.6
57.07067	12.3
60.62737	1.9
67.05497	29.0
69.07053	42.0
69.78249	12.5
71.08612	5.7
79.05471	12.2
81.07044	59.3
83.08607	24.4
85.10155	3.4
89.06020	4.8
91.05456	17.7
93.07033	32.7
95.08594	83.8
97.06552	2.9
97.10159	7.8
105.07016	33.6
107.08572	47.8
109.06487	2.5
109.10138	67.0
111.11698	5.5
117.07008	5.8
117.58594	2.1
119.08566	40.7
120.38988	2.0
120.68967	1.9
120.78673	2.3
121.10126	48.2
123.08089	3.0
123.11692	33.3
129.06929	2.4
131.08521	14.0
133.10117	26.5
135.11678	25.5
137.13229	12.1
143.08582	9.2
145.10092	16.0
147.11664	29.7
149.13249	19.6
151.14787	6.8
155.08582	2.9
155.14374	2.1
157.10069	6.1
159.11691	15.2
161.13206	27.9
163.14804	19.3
165.09109	9.2
165.12747	2.8
168.62871	2.0
169.02618	4.2
169.10095	2.6
171.11674	9.9
173.13234	14.2
175.14825	19.4
177.16357	9.6
179.14313	3.1
183.11656	4.8
185.13231	5.5
187.14778	21.9
189.16379	12.3
191.17909	8.7
199.14838	2.9
201.16324	12.2
203.17915	12.6
205.19499	3.7
211.14821	2.4
213.16327	5.5
215.17995	9.5
217.19405	10.6
217.27658	2.4
219.17390	2.9
219.21135	5.0
227.17934	7.5
229.19550	9.3
231.17331	2.6
231.21072	8.7
239.14894	5.1
239.17984	3.5
241.19518	4.1
243.21066	3.1
245.19032	7.0
245.22673	6.2
247.20590	5.9
255.21049	7.0
259.20599	5.0
269.22641	7.8
272.52930	2.4
281.22525	3.2
285.26031	3.2
287.23804	3.6
297.25760	5.9
299.23508	3.1
351.30475	3.1
407.36575	32.5
425.21478	3.0
425.37781	100.0
426.38196	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
55.01867	0.4
55.05506	6.2
57.03431	2.1
57.07071	6.9
57.26342	0.4
59.04969	0.9
61.90701	0.3
63.71953	0.3
65.03915	0.5
66.73424	0.3
67.05496	6.9
69.03399	0.4
69.07060	9.1
70.51831	1.2
71.04956	1.7
71.08622	6.2
73.06511	0.4
75.04446	1.1
79.05484	5.0
80.02044	0.4
81.06606	0.8
81.07047	11.5
83.04939	0.9
83.08607	4.9
85.06505	1.2
85.10166	4.2
89.05987	1.0
90.01854	0.5
91.05464	2.7
93.06496	0.6
93.07034	8.5
95.04926	1.0
95.08597	13.5
97.06510	2.1
97.10133	1.7
99.08058	1.3
99.11710	0.5
105.07031	2.9
107.07891	0.6
107.08582	12.9
109.06514	6.1
109.10143	6.4
111.08102	2.1
113.00002	1.1
119.08581	4.7
121.10127	6.5
123.08053	15.3
123.11703	2.6
126.50647	0.4
131.08546	0.8
133.08568	0.5
133.10107	2.7
135.08012	0.5
135.11691	2.4
137.09563	1.6
137.13197	1.1
145.10066	1.5
147.11621	1.3
149.13246	2.0
151.11122	0.7
151.14793	0.6
159.11697	0.7
161.13194	1.5
163.14787	1.6
165.12733	1.5
167.14273	2.2
169.02542	1.6
175.14806	0.8
177.16266	1.0
179.14279	19.6
180.14601	1.1
181.15907	0.7
185.13139	0.5
189.16228	0.4
193.15875	1.1
221.19212	0.4
235.20563	0.4
240.15193	0.5
259.20593	0.5
263.19971	0.9
277.21591	7.3
278.21408	0.4
305.28427	0.8
313.27237	0.8
315.26813	1.3
331.33542	0.4
333.27844	55.6
334.28067	1.3
351.28885	1.6
407.31848	1.1
425.32578	100.0
426.33032	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	21.6
57.07063	12.2
65.21311	4.0
65.80258	3.1
67.05501	28.5
69.07060	50.8
71.04968	7.1
71.15842	6.5
71.16170	6.8
79.05489	20.7
81.07046	100.0
83.08613	16.0
89.06026	8.9
91.05485	14.2
93.07041	48.5
95.08598	85.3
97.10150	8.6
105.07013	36.3
107.08575	62.0
109.10139	93.3
109.10835	6.8
117.06995	6.1
119.08563	45.4
121.10123	66.5
123.11710	36.8
127.11177	15.3
131.08563	12.3
133.10143	30.6
135.11658	52.8
137.13240	16.4
145.10107	17.6
147.11665	36.7
149.13243	35.2
150.13545	4.2
153.12677	4.4
158.10892	4.2
159.11684	24.1
161.13225	28.9
163.14787	19.5
171.11620	5.4
173.13261	19.5
175.14828	15.7
177.16374	20.4
185.13213	6.8
186.69551	3.9
187.14764	12.2
189.16335	21.8
191.17917	35.4
195.17389	4.7
198.86029	3.8
199.14867	5.3
201.16342	10.5
203.17917	25.2
213.16531	6.2
215.17947	11.9
217.19499	23.2
219.17552	4.5
227.17955	5.3
229.19551	15.2
231.21078	10.1
239.15033	5.1
243.21074	5.1
245.22557	4.8
271.24277	5.2
283.23926	5.0
285.25800	5.4
339.30518	6.2
348.94864	3.8
407.36832	22.1
425.37744	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
57.03429	6.7
57.07068	21.5
58.67634	1.0
64.60130	0.9
67.05507	5.0
69.07053	3.1
69.99774	5.9
71.08621	11.1
72.82518	0.8
81.07046	5.2
83.08615	3.6
85.10169	7.0
95.08595	6.9
97.10166	2.1
98.20813	1.3
109.10140	3.2
113.00005	74.2
123.11687	2.4
131.80499	1.2
143.02505	1.0
161.26834	0.9
169.02596	100.0
170.02907	1.5
187.03690	2.7
239.23721	1.3
313.27328	41.0
314.27658	2.4
336.80588	1.1
341.80350	1.1
407.25552	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.3
57.03436	3.1
57.07065	4.3
58.07677	0.5
65.03934	0.5
67.05497	9.7
69.03407	0.6
69.07063	13.9
69.91158	3.4
71.04984	2.0
71.08622	2.6
75.04472	0.8
79.05476	6.0
81.07043	16.0
83.04964	1.3
83.08614	6.7
85.06527	1.9
89.06004	0.9
91.05466	2.7
93.07027	11.9
95.04948	1.9
95.07976	0.9
95.08591	18.0
97.06520	3.5
97.10168	2.7
98.21547	0.5
99.08092	1.0
101.92747	0.5
105.07022	4.2
107.07860	1.0
107.08575	14.7
109.06490	5.7
109.10138	7.8
111.08083	3.1
112.99995	0.9
115.35624	0.5
119.08577	5.7
121.10127	8.4
123.07188	1.0
123.08051	16.0
123.11681	3.0
124.08411	0.6
124.48763	0.5
125.09654	1.1
129.35091	0.5
131.08549	0.8
133.08575	0.6
133.10080	3.2
135.08070	0.6
135.11661	3.5
137.09612	2.0
137.13229	1.6
139.11140	0.8
145.10121	1.2
147.11682	1.7
149.13246	2.7
151.11043	0.7
151.14777	0.9
159.11630	1.2
161.13234	1.1
163.14828	2.8
165.12706	1.0
167.14296	3.8
169.02621	1.9
175.14838	0.9
177.16370	1.3
179.14290	16.0
180.14604	0.7
189.16370	0.9
193.15903	0.6
222.81796	0.6
235.20485	0.5
239.15009	0.7
263.19934	0.6
267.69952	0.6
277.21573	6.1
280.38834	0.5
291.23196	0.7
305.28430	1.3
313.27228	0.7
315.26776	0.8
333.27838	46.9
334.28134	3.9
351.28918	10.5
352.29108	1.0
360.59454	0.5
389.29324	0.6
407.31641	3.7
425.32562	100.0
426.32922	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	425.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06576	0.8
71.48635	1.0
72.05677	0.5
82.99846	1.8
84.08102	0.4
87.00914	0.4
93.28698	0.4
97.02833	1.0
101.00193	0.6
101.00858	10.6
109.02846	0.9
113.00859	1.5
119.01905	20.7
127.02383	1.4
129.03891	0.5
131.00934	0.6
131.01886	7.6
133.03439	0.6
136.07584	0.6
137.02939	3.6
139.02318	0.7
143.01875	25.1
144.01976	0.7
145.03445	9.3
147.01379	1.1
149.02913	1.2
155.01868	12.0
157.03464	5.3
161.02930	53.2
162.03072	1.5
163.04466	0.9
167.01881	6.3
169.02138	0.5
169.03383	2.6
171.05058	2.3
173.02937	20.5
174.03214	0.6
174.24406	0.4
175.04443	2.1
179.01857	2.6
179.03996	1.3
181.03386	0.7
184.04553	0.9
185.02925	34.4
186.03165	1.2
187.04486	4.0
191.03966	5.1
197.02922	13.2
199.04323	0.6
203.03970	16.3
204.04134	0.8
205.17624	0.4
208.04593	0.7
209.02930	0.9
215.03961	8.4
221.05002	1.6
227.03960	7.0
233.05104	0.9
239.04056	0.6
245.05031	100.0
246.05199	4.7
257.05060	5.9
263.06085	27.7
264.06055	0.6
275.06076	11.9
276.06308	0.6
278.41440	0.5
286.07654	0.9
293.07123	5.6
305.07162	10.1
306.07266	0.8
317.07071	0.8
335.08228	4.1
347.08508	0.4
365.09259	8.4
383.10031	0.9
425.11157	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	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40811	0.5
59.96247	0.6
60.09407	0.5
65.34365	0.5
69.03429	0.6
70.06577	1.9
70.79064	1.7
71.58994	0.5
72.08141	0.7
80.35857	0.5
81.03410	0.7
81.08207	0.5
82.99867	1.8
84.08125	2.4
85.02895	0.9
86.09718	0.8
94.99862	0.7
97.02895	1.2
98.41003	0.5
101.00858	8.9
109.02872	1.1
109.43982	0.5
110.07138	1.4
112.08672	0.6
113.00851	2.1
113.03465	0.7
119.01903	23.0
127.02457	1.6
129.10170	0.9
131.01894	7.8
133.03520	0.5
136.06165	0.9
136.07523	1.7
137.02954	2.4
143.01877	24.6
144.02005	0.6
145.03462	7.7
147.01381	0.9
149.02950	0.8
155.01849	10.1
155.03055	0.6
157.03442	4.6
161.02934	52.3
162.03009	1.9
163.03801	1.1
167.01842	6.0
169.03427	2.4
171.05000	2.2
173.02939	19.7
174.03099	0.5
175.04469	1.8
177.02394	0.5
179.01883	2.1
179.04030	1.1
181.03377	0.5
184.04491	1.1
185.02940	32.9
186.03033	0.9
187.04492	3.8
189.06078	0.7
191.03970	4.5
197.02934	13.9
198.03230	0.5
199.04434	1.3
203.03983	15.7
209.02992	1.5
215.03970	7.3
221.05040	1.7
227.03973	7.4
233.05035	1.2
239.03922	1.3
245.05042	100.0
246.05151	3.7
257.04968	4.4
263.06091	27.6
275.06085	11.7
276.06357	0.9
286.07574	0.6
291.09296	0.6
293.07037	3.5
305.07135	9.4
306.07510	0.9
309.53583	0.6
317.07394	0.6
321.10330	0.8
335.08200	4.5
347.08997	0.6
365.09314	7.5
371.91077	0.7
425.11032	7.1
425.21014	1.7
425.26093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.7
56.78305	1.6
57.07053	2.0
67.05488	6.4
69.07059	13.0
70.05031	1.4
70.06590	10.2
72.08142	3.7
73.02871	1.6
75.58884	1.5
79.05472	7.1
81.07036	14.3
82.06562	4.5
83.08585	5.1
84.08126	7.0
86.06055	13.0
86.09679	4.8
90.26285	1.5
91.05450	6.8
93.07035	8.1
95.04970	1.6
95.08578	8.1
96.08106	10.4
97.06496	2.4
98.06031	1.7
98.21518	4.3
99.04425	4.6
105.07001	6.0
107.03784	1.7
107.08612	8.5
108.08108	4.0
109.06491	2.4
109.10123	3.4
110.09629	4.8
116.10676	3.0
119.08565	3.6
120.08125	2.8
121.10130	3.6
124.07576	2.5
124.11153	3.7
129.06955	2.2
131.08514	2.3
133.10054	2.4
135.96440	1.6
142.08618	12.0
142.53294	1.5
149.13240	5.2
151.11137	2.6
159.11620	3.2
166.15872	16.8
169.12207	6.7
194.15309	2.5
202.87523	1.8
212.14407	3.9
212.16428	69.7
220.17004	3.2
238.17996	54.3
239.18558	3.2
240.19582	4.9
245.18619	2.2
256.19037	100.0
257.17239	3.7
334.56094	2.2
363.24966	2.7
364.76822	2.0
406.29633	4.2
424.30521	70.5
425.30716	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	424.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
56.05021	3.9
59.48497	0.5
60.04495	1.6
61.01143	0.9
67.05476	0.8
69.03410	1.5
69.07047	2.1
69.53326	4.2
70.06580	21.3
71.06908	0.9
72.08141	6.1
72.27732	0.5
72.66850	0.5
73.89867	0.6
74.06070	1.6
74.48144	0.5
77.03149	0.5
81.03373	1.1
81.07056	1.0
84.04490	25.8
84.08131	9.4
85.02890	3.2
85.08463	0.8
86.09692	56.3
87.04434	0.7
87.05575	0.9
87.10004	1.3
88.03959	0.8
91.05460	10.0
95.06100	0.6
95.08592	3.4
96.04528	0.5
97.02882	0.8
97.06515	0.9
98.21588	1.0
99.08077	0.6
101.07127	0.8
102.05521	10.6
103.05421	0.6
104.05288	1.1
104.07085	0.8
107.04935	3.0
109.02842	0.6
109.06490	0.7
110.07146	3.5
112.08760	0.7
115.08681	1.0
116.07077	1.2
119.04922	10.8
120.08085	8.1
121.06489	0.9
121.08451	3.5
121.10137	0.8
122.06077	0.7
123.08037	1.4
125.07106	1.6
127.03923	0.8
127.08661	0.5
129.10214	5.4
130.04988	0.9
130.06493	1.2
130.08582	0.6
132.10182	45.1
135.04375	0.8
135.06781	3.0
135.07716	0.6
136.07556	100.0
137.07919	2.1
141.06516	0.6
141.09097	2.6
141.10104	0.5
143.11794	1.4
146.06076	0.6
147.11327	0.8
153.06569	1.5
159.10136	1.7
160.07561	1.3
164.07077	1.7
175.11911	0.6
182.08092	1.5
184.07495	0.6
201.12238	0.8
202.08600	14.9
209.15399	1.5
220.09662	4.8
221.09805	0.6
238.17938	0.8
240.19794	0.7
241.09534	0.7
247.10747	26.7
248.08966	0.6
249.16016	1.1
265.11807	28.7
275.10223	8.5
285.12601	0.5
293.11261	7.6
294.11938	1.0
295.16373	4.0
300.10440	0.6
324.09793	0.6
328.10153	0.9
346.11255	0.8
360.19260	0.8
388.18396	1.0
406.12949	1.7
406.19666	2.2
424.13858	2.6
424.25940	2.2
425.13950	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	423.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05490	14.9
57.07063	6.4
65.03932	1.8
67.05497	27.4
69.07060	53.3
69.41295	17.8
71.04984	48.0
71.08613	2.6
73.52981	1.5
75.41984	1.6
79.05479	12.0
81.07047	46.4
83.08607	15.0
85.06531	6.6
87.24728	1.7
91.05486	11.2
93.07037	29.7
95.07980	2.7
95.08597	56.8
97.06518	4.7
97.10152	6.6
105.07013	24.0
106.07290	1.8
107.08580	35.3
109.10145	52.9
111.08041	4.3
111.11770	1.8
113.09635	8.6
115.49510	1.5
117.06306	1.7
117.06979	8.9
119.08557	23.7
121.10124	25.1
123.08067	3.8
123.11706	21.8
128.06180	2.6
129.07024	9.4
131.08557	19.4
133.10104	16.8
135.11650	13.1
137.13254	7.8
139.11183	5.6
141.06990	2.6
142.07748	2.5
143.08534	17.3
145.10104	25.8
147.08041	13.3
147.11655	15.6
149.09554	1.8
149.13228	12.0
151.11322	1.7
151.14839	3.2
155.08525	8.8
156.09302	3.7
157.10091	19.3
159.11642	20.8
161.09619	3.2
161.13266	11.5
163.14799	13.0
168.09390	2.0
169.10118	14.2
171.11652	13.8
173.13275	10.7
175.11130	3.3
175.14812	5.7
177.16406	3.6
179.14305	4.5
181.10123	3.0
182.10840	2.6
183.11693	14.3
184.12347	1.9
185.13245	12.4
187.14859	6.0
189.12697	2.6
189.16417	4.9
195.11728	4.6
197.13217	9.8
199.14775	8.4
201.12720	3.9
201.16396	6.2
203.14291	12.8
203.17969	4.8
205.15887	6.2
205.19466	2.1
209.13251	3.4
211.14809	6.2
213.16368	5.5
215.14247	2.6
215.17970	4.1
217.15958	3.0
217.19432	2.8
219.17397	5.7
219.21123	2.5
223.14841	3.6
225.16373	4.4
227.17863	4.4
229.15833	2.7
229.19518	2.7
231.17418	4.2
231.21037	2.5
233.18980	2.1
239.17926	4.4
241.19485	3.5
243.17441	4.0
243.21228	3.2
245.18987	5.1
245.22723	2.4
251.17868	2.7
253.19569	2.4
255.17595	2.3
255.20981	1.8
257.18948	8.1
259.20569	2.4
265.19473	2.4
267.21024	4.2
269.22534	2.0
271.20499	6.0
271.24249	1.7
273.22040	2.3
285.22049	2.6
295.24167	2.2
299.23553	2.9
311.23822	2.5
313.25269	4.0
331.26151	1.9
339.30484	2.7
341.28473	4.6
349.29001	1.9
364.99713	1.8
367.29730	13.3
405.35077	3.0
423.31177	7.4
423.36188	100.0
424.36716	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	423.3616
Annotation	glochidone
Peak:m/z	Relative Intensity
55.05501	10.0
57.07075	5.4
59.04999	6.4
59.05233	1.0
65.03933	1.8
67.05155	1.9
67.05493	23.4
69.07059	21.3
69.50552	4.3
69.50981	6.6
70.36707	1.1
71.08620	2.1
79.05481	12.9
81.07049	43.9
83.04972	2.1
83.08608	8.8
85.06517	1.6
91.05468	18.0
93.06455	2.1
93.07035	33.9
93.58586	0.9
95.04995	1.8
95.08594	59.8
96.08905	1.3
97.06528	2.6
97.10146	4.9
99.08091	1.2
105.07016	39.1
107.08581	43.9
109.06503	3.0
109.10145	56.2
110.10517	1.2
111.08087	2.5
111.11694	3.7
113.09651	3.1
113.63003	1.0
117.06987	7.3
119.08566	48.9
120.08872	1.5
121.10129	37.4
122.10463	2.0
123.08075	3.5
123.11695	18.3
125.09612	3.2
127.11175	1.6
129.07001	2.0
131.08549	11.7
133.10112	36.3
135.08070	2.0
135.11685	28.3
137.13231	6.6
139.11154	1.6
142.07785	1.2
143.08562	2.3
145.10110	21.7
147.11668	34.7
149.09616	3.0
149.13231	17.3
151.11154	1.5
151.14790	1.4
157.10156	4.3
158.52667	1.3
159.11685	16.5
160.11984	1.4
161.13232	48.8
163.11148	4.1
163.14838	7.3
171.11745	5.3
173.13237	11.0
175.14812	15.8
177.12729	4.6
177.16354	6.7
179.17900	1.6
183.11736	1.3
185.13243	4.7
187.14833	7.5
189.12689	1.1
189.16368	20.2
191.14305	4.6
191.17920	21.0
193.15866	2.9
197.13298	2.2
199.14815	4.4
201.16333	14.3
203.17928	44.8
205.15852	2.3
205.19487	3.8
213.16376	4.4
215.17958	6.8
217.15918	1.8
217.19487	19.1
219.17424	13.8
222.64230	1.2
227.17914	2.5
229.19481	2.9
231.17511	3.2
231.21126	3.0
233.19003	2.7
239.14929	2.0
239.17796	2.3
241.19435	2.3
243.21089	1.9
245.19003	4.5
245.22653	1.4
253.19423	1.4
257.18961	3.1
259.20514	2.1
267.21191	1.4
269.22647	1.1
271.20657	1.6
271.24216	1.6
281.22424	1.6
285.22272	2.2
285.25574	1.4
295.24124	2.9
297.25760	1.7
299.23758	1.5
311.23703	1.7
313.25293	9.0
339.26642	1.5
353.28317	1.6
365.31689	1.6
372.05484	1.3
381.31354	2.5
395.33044	1.4
405.35059	9.2
408.23682	1.1
423.36163	100.0
424.36542	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	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01852	0.9
55.05505	2.6
57.03408	1.1
57.07068	3.8
67.05167	0.4
67.05499	6.8
67.33093	0.3
69.03424	0.6
69.07066	4.0
71.04980	1.0
71.08615	3.1
71.75979	0.6
71.76323	0.4
75.02039	0.4
79.05481	4.1
81.06565	0.7
81.07046	9.9
81.76714	0.4
83.04990	0.6
83.08608	1.8
83.17893	0.4
85.06517	1.6
91.05482	3.7
93.07038	5.6
95.04961	1.2
95.08039	0.6
95.08596	7.5
97.02880	0.6
97.06498	1.5
97.10123	0.7
99.08067	1.3
105.07045	3.5
107.08585	5.2
109.05776	0.9
109.06504	15.6
109.10143	2.5
111.08085	1.1
117.06973	0.6
119.08554	4.1
121.06504	0.8
121.10134	3.5
122.07266	1.2
122.13055	0.4
123.08054	23.6
123.11676	1.3
131.08528	1.8
131.35165	0.4
131.38768	0.3
133.10112	2.6
135.08035	5.5
135.11644	1.4
137.09570	1.3
143.08565	0.7
145.10170	2.0
147.11697	2.1
149.09601	1.6
149.13252	1.0
157.10080	0.6
159.11649	1.9
161.13213	0.6
163.11194	0.4
165.12720	1.6
167.14311	0.8
171.11670	0.7
173.13249	0.9
175.14803	0.9
177.12718	1.9
179.14288	68.1
180.14641	1.2
187.14680	0.6
189.16315	0.5
191.14194	0.4
193.15910	2.3
193.17368	0.4
205.15845	4.5
215.17912	0.6
233.18951	0.8
235.05064	0.4
241.78310	0.4
256.19241	0.5
275.19980	2.2
283.16919	0.6
289.24982	0.7
303.26828	1.4
313.20276	0.4
313.25055	0.8
331.26276	28.5
332.26715	0.9
349.27359	0.9
367.24786	0.5
405.30203	0.4
423.31009	100.0
424.31335	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	423.3612
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
51.02333	1.4
55.05503	10.2
57.07064	6.7
59.04974	2.4
64.51452	1.0
67.05491	19.1
69.07055	20.7
69.47659	11.2
71.08614	3.1
79.05476	10.3
81.07041	40.3
82.07365	1.1
83.04943	3.3
83.08605	8.1
91.05466	10.8
93.07025	21.5
95.08590	51.7
96.08909	1.5
97.10151	3.7
101.48668	1.2
105.07010	27.4
107.08572	29.4
109.06519	2.2
109.10138	38.0
110.10496	1.4
111.08051	1.5
111.11678	3.4
113.09624	1.8
117.07026	3.6
119.08564	26.0
121.10128	27.9
123.08040	2.4
123.11702	13.3
125.09629	2.5
129.07004	1.1
131.08562	8.8
133.10117	22.3
135.08070	2.5
135.11673	17.8
137.13228	8.8
138.41096	1.2
143.08521	4.2
145.10112	13.2
147.11665	24.5
149.09590	2.8
149.13240	14.4
151.11185	1.6
151.14812	3.3
155.08536	1.9
157.10109	4.5
159.11659	15.1
161.09538	1.5
161.13231	20.4
163.11134	4.4
163.14798	9.1
165.12714	1.5
169.10138	2.4
171.11661	6.1
173.13235	10.6
175.14793	12.1
177.12761	3.2
177.16354	5.3
183.11708	1.8
185.13211	4.2
187.11174	1.9
187.14784	6.6
189.12840	2.2
189.16394	8.0
191.14224	2.9
191.17914	11.2
193.15913	1.3
197.13255	2.9
199.14780	5.4
201.16327	7.2
203.14281	2.0
203.17911	18.1
205.19531	4.5
211.14838	1.5
213.16342	4.2
215.17937	3.4
217.15793	1.6
217.19441	8.5
218.19884	1.5
219.17445	5.0
219.21054	3.2
223.14740	1.5
225.16451	2.3
227.17870	3.6
231.17448	2.9
231.21046	4.5
231.56429	1.3
239.14983	1.7
239.17979	1.4
241.19455	2.6
243.17377	2.3
245.18938	5.5
245.22620	1.7
253.19487	2.2
255.17558	1.4
255.21198	2.2
257.19040	5.3
257.22528	1.7
259.20462	1.9
267.21011	1.5
269.19141	1.3
271.20636	4.0
279.21344	1.9
285.22009	4.0
285.25613	2.6
295.24133	2.7
297.22141	3.6
297.25586	2.0
299.23642	2.7
311.23734	3.2
313.25174	4.3
315.26935	1.3
325.25320	1.6
327.26938	1.4
341.28406	3.2
353.28329	2.8
367.29861	1.6
405.34964	10.7
423.36148	100.0
424.36258	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01870	0.7
55.05301	0.4
55.05503	3.7
56.51452	0.4
57.03413	1.8
57.07066	3.2
65.03918	0.7
65.86774	0.4
67.05502	5.8
69.07056	5.3
70.88582	1.0
70.88950	0.7
71.04971	0.9
71.08624	3.7
79.05483	4.0
81.07048	10.3
83.04967	0.6
83.08633	2.4
85.06528	2.1
87.25655	0.5
91.05466	2.4
93.07024	5.7
95.04945	1.3
95.08036	0.7
95.08591	8.1
97.02861	1.6
97.06506	1.6
97.10165	0.9
97.48163	0.4
99.04416	0.8
99.08052	1.4
103.30470	0.4
105.07033	3.8
107.08572	4.8
109.05781	0.8
109.06505	13.4
109.10138	3.8
111.08038	1.1
119.08579	4.7
120.47337	0.4
121.10137	3.6
122.07236	1.3
123.08055	27.2
123.11682	1.4
124.08446	0.6
126.52436	0.4
127.03867	0.5
131.08546	1.6
133.10126	2.8
135.08032	4.6
135.11685	1.9
137.09560	1.6
137.13200	0.9
145.10095	1.3
147.11661	2.4
149.09587	1.4
149.13240	1.1
159.11682	1.5
161.09686	0.6
161.13228	1.4
163.14752	0.7
165.12712	1.4
167.14294	0.9
171.70624	0.5
173.13191	0.7
175.14694	0.5
176.34531	0.4
177.12717	1.5
177.16330	0.5
179.14290	61.4
180.14618	1.5
187.14810	0.6
191.14313	0.8
193.15880	1.8
205.15877	3.2
233.18892	1.1
247.20557	0.6
263.19934	0.5
275.20001	2.2
289.25314	0.7
293.21088	1.3
303.26660	2.1
331.26276	24.7
332.26633	1.4
349.27420	6.2
367.24683	0.6
405.29706	1.5
423.31006	100.0
424.31351	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.2
55.01849	12.5
55.05496	19.8
57.03430	6.5
57.07051	4.3
59.04977	5.1
67.05496	99.3
68.05811	3.2
69.03418	26.5
69.07062	24.2
70.06594	3.8
70.36679	12.8
70.61781	2.9
71.04981	10.2
73.02906	4.3
79.05480	72.8
81.03407	23.7
81.07049	100.0
83.04965	6.9
83.08604	9.7
85.02885	16.8
85.06516	6.9
91.05461	51.1
93.06464	6.8
93.07029	94.6
94.07426	3.8
95.04943	13.0
95.08595	81.3
97.02879	71.2
97.06524	5.5
97.10149	7.8
99.04443	29.5
101.02365	2.8
105.07016	41.4
107.08575	47.8
109.02859	17.1
109.06505	10.8
109.10142	35.4
111.08096	3.8
117.06998	14.2
119.08565	35.1
121.06482	5.4
121.10131	46.5
123.08047	14.5
123.11676	11.2
127.03904	37.8
129.06972	5.5
131.08557	26.4
133.10103	29.3
135.11674	34.3
137.09648	4.8
137.13228	3.4
143.08582	4.1
145.04944	4.7
145.06532	4.9
145.10120	25.2
147.07986	5.3
147.11649	22.6
149.09531	4.3
149.13234	19.1
155.08498	3.3
157.10117	6.6
159.11682	26.0
161.13249	19.1
163.14780	5.1
169.10172	3.9
171.11734	4.4
173.09564	4.8
173.13248	16.8
175.14821	6.7
179.14264	8.6
183.11627	3.6
185.13313	5.2
187.14864	11.0
197.13460	5.3
243.21071	12.1
259.20483	11.2
261.22095	54.3
277.21445	3.3
313.22031	3.8
329.24689	8.1
331.26132	5.1
339.23212	7.2
357.24081	5.9
369.24103	5.7
387.25192	5.8
397.43253	3.3
405.26230	4.1
423.31619	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	423.2735
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.87770	2.8
53.03930	11.2
55.01852	8.0
55.05509	29.3
56.37506	2.8
57.03418	12.6
57.07056	6.7
58.04419	3.0
65.03934	7.3
67.05499	100.0
69.03418	33.1
69.07065	30.5
71.04974	7.0
71.67473	4.2
73.02882	4.4
79.05486	70.7
81.03410	41.1
81.06589	5.8
81.07047	98.7
83.04968	12.0
83.08610	15.4
85.02892	20.1
85.06517	6.9
91.05476	65.1
93.06483	5.6
93.07034	93.0
95.04964	16.9
95.08599	68.7
97.02876	13.2
97.06515	8.7
97.10180	4.3
99.04449	5.7
99.08054	5.1
103.03924	6.8
105.07014	50.2
107.04935	7.6
107.08578	54.9
108.87649	2.9
109.02842	7.3
109.06503	10.9
109.10147	30.5
111.04419	7.7
115.05391	3.4
117.07017	27.0
119.08563	48.5
121.06456	5.5
121.10127	43.7
123.08028	6.9
123.11682	10.6
125.09622	5.0
127.03947	4.9
129.05472	4.4
129.06992	16.1
131.08554	48.7
132.51907	2.8
133.06453	9.3
133.10103	27.9
135.07980	7.5
135.11670	34.1
137.09558	5.3
142.07706	3.1
143.08545	18.6
145.06487	5.9
145.10107	34.4
147.08070	5.2
147.11684	33.1
149.09612	5.0
149.13239	18.3
151.07462	3.9
155.08549	9.8
157.10124	15.1
159.07986	4.6
159.11674	24.9
161.09679	4.9
161.13210	22.6
163.11151	3.8
163.14804	7.4
169.10066	9.7
171.11667	10.8
173.09520	5.1
173.13248	16.2
173.56514	3.1
175.11229	5.7
175.14728	8.9
177.12654	4.3
179.14230	5.3
181.10300	3.1
183.11661	8.7
185.09618	7.1
185.13232	12.1
187.11301	5.4
187.14809	9.3
189.12732	3.6
191.14104	3.4
195.11589	4.5
197.13286	3.4
199.11221	3.6
199.14816	7.0
203.14297	3.9
213.12708	5.1
213.16435	3.5
227.14256	3.6
241.19537	8.2
243.21043	5.1
259.20544	17.2
261.22147	33.1
271.20694	4.3
273.22098	7.9
275.36172	3.1
277.21567	10.3
285.22028	5.3
289.21545	8.2
291.23135	6.9
301.21457	6.2
303.23087	15.8
314.85406	3.0
315.23114	7.7
327.22955	4.4
341.24698	6.9
345.24063	3.3
351.23254	9.1
359.26071	4.5
369.24136	34.6
387.25269	30.3
405.26224	46.4
423.26852	26.0
423.32181	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	423.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.05024	1.7
60.04511	1.5
61.01151	1.1
69.07053	1.2
70.05682	2.7
70.06580	16.1
72.04504	0.6
72.08134	5.5
75.05598	0.7
78.03769	1.1
84.04478	4.3
84.08131	14.9
84.56747	0.7
85.02883	1.3
86.09689	100.0
87.05579	1.1
87.10026	1.9
88.03947	1.1
91.05465	2.8
92.20981	0.5
93.07008	0.8
95.08653	0.8
97.98796	0.5
102.03763	1.0
102.05486	1.1
107.04936	0.7
110.07149	2.0
112.08740	1.0
115.08651	0.6
116.07071	1.0
119.04917	4.4
120.08070	7.2
121.08399	0.6
123.04408	5.4
124.07558	4.9
126.05470	1.7
129.10225	4.1
130.04950	1.0
131.06342	1.1
132.04756	0.9
135.04347	0.7
136.07553	39.8
137.07941	1.0
143.11769	83.7
144.12129	1.0
147.04382	3.6
149.07411	3.4
154.08586	1.8
157.06165	0.6
157.13316	0.9
159.09277	0.6
162.09073	0.7
164.07002	1.6
165.05449	18.5
166.05899	0.8
169.13329	1.8
171.11255	52.8
172.11569	1.2
173.09232	1.1
173.12918	0.8
180.06458	1.0
182.08095	42.4
183.08476	0.8
189.12282	0.7
195.11391	0.8
196.04309	0.6
196.14423	0.8
197.12814	7.9
205.62611	0.6
207.11232	4.2
220.16655	0.7
235.10751	1.7
238.18097	0.6
242.14948	30.7
243.15324	1.0
253.11792	54.1
254.12138	1.9
260.11133	0.9
285.12100	0.7
293.11630	7.4
301.08505	1.2
302.10010	1.7
405.11945	0.9
405.16586	2.2
405.21179	4.3
423.12979	1.0
423.16306	1.0
423.23923	1.2
423.76013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76035	0.2
55.05497	0.8
56.05026	1.9
57.05830	0.3
60.04505	1.1
61.01121	0.4
68.68591	0.3
69.03408	0.7
69.07066	0.5
70.02963	0.5
70.06583	11.9
70.98672	0.2
71.04983	0.4
71.06915	0.7
71.31960	0.5
72.08144	6.3
73.08460	0.4
74.06065	1.9
77.65602	0.3
83.06084	0.7
84.04493	5.9
84.07613	0.6
84.08131	10.5
85.02913	1.0
85.08468	0.4
86.09699	7.4
87.05580	0.6
88.03987	0.6
91.05463	0.9
93.07079	0.3
95.04958	0.7
95.06080	0.4
98.06028	0.3
99.04436	0.4
101.07103	0.5
102.05536	1.3
103.05439	0.3
104.05303	0.4
110.07150	2.5
112.07684	0.3
112.08678	0.6
113.07124	1.4
115.08694	0.5
116.07088	0.9
119.04910	0.9
120.08097	7.4
121.06529	0.3
121.08427	0.4
123.04419	1.1
126.05508	0.4
127.05009	0.5
127.08661	0.3
129.06604	0.9
129.10226	5.6
129.11115	0.5
130.04987	1.7
130.06479	0.5
130.08623	1.4
130.10616	0.4
133.06032	0.3
135.04396	0.3
136.06512	0.4
136.07571	7.4
138.05495	0.3
138.09145	0.3
138.29205	0.3
140.08127	0.4
141.10196	0.5
147.04430	0.4
147.07616	1.5
147.11285	1.6
148.06142	0.4
156.07713	0.4
157.07582	0.7
159.07646	0.4
163.03944	0.5
166.06136	0.3
166.08633	0.9
173.09276	0.3
177.05455	0.4
177.10207	0.4
225.06613	0.4
233.11230	0.5
235.10690	0.5
240.09805	0.7
242.18712	0.4
247.14452	0.3
249.15938	1.5
254.10100	0.4
258.10532	0.3
261.13068	11.1
262.13434	0.4
276.13242	0.4
277.15503	0.7
282.49948	0.3
285.08728	0.4
303.09637	0.3
303.13553	0.4
327.09610	0.6
345.10736	0.9
349.19305	0.4
355.09210	1.3
387.11844	0.7
405.12732	2.2
405.17401	0.6
406.19971	0.3
422.74905	0.4
423.18347	100.0
424.18674	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
55.05492	4.6
55.56345	0.8
56.05018	3.4
57.07045	1.0
58.99579	1.8
60.04515	5.3
61.01137	6.7
67.05484	1.8
69.03430	1.1
69.07064	3.1
69.53897	3.0
69.54324	5.3
70.02939	1.1
70.06583	30.0
71.06920	1.1
72.04505	10.9
72.08146	28.2
73.02930	2.0
74.06086	1.2
76.02209	3.2
78.03786	14.7
78.24609	0.9
81.07033	1.3
82.06563	0.9
83.04987	1.7
83.06089	1.2
84.04496	10.7
84.08131	21.2
85.02891	10.0
85.06532	1.6
85.08476	1.0
86.06046	2.8
86.09693	53.7
86.99054	1.2
87.05557	2.2
87.10036	1.1
88.02206	4.5
88.03968	2.2
91.05473	4.2
93.07021	1.2
95.04953	2.2
95.06091	1.0
95.08632	1.3
96.04491	1.4
97.03989	0.9
98.02389	1.7
98.06052	2.2
99.04456	5.6
99.05565	4.1
100.02230	1.1
101.07122	2.5
102.03745	18.6
102.05525	4.7
102.96153	1.0
103.02148	2.4
103.03932	12.7
103.05457	1.0
107.04944	2.0
108.04506	0.8
108.08102	1.2
109.02861	3.4
110.07153	4.2
110.09624	1.2
112.07571	0.8
112.08672	1.6
113.06020	2.1
114.03739	2.6
114.05503	2.3
115.04999	1.9
115.08672	2.3
115.64001	1.0
116.07055	1.2
119.04935	3.3
120.04790	3.9
120.06673	1.8
120.08090	47.6
121.08440	1.6
122.06042	1.3
123.04404	2.5
123.08027	1.0
124.07581	2.2
125.07097	1.1
126.05501	16.4
127.03884	5.8
129.10236	8.9
130.08618	1.9
131.06377	9.9
131.08011	0.9
132.04773	13.6
132.10208	2.9
135.04431	1.5
136.07562	30.6
141.06587	2.9
141.10100	1.3
142.08582	4.9
143.11774	24.9
145.04951	2.4
147.04384	0.9
147.05811	1.6
149.07420	45.0
152.07079	3.0
154.08617	2.6
157.06085	0.9
159.05861	1.9
159.07683	1.6
162.16414	1.0
164.06982	4.5
165.05444	4.3
167.06993	2.0
171.11253	16.7
173.12892	1.7
174.07643	1.1
175.05299	2.8
177.10191	4.4
180.06537	11.7
182.08107	14.5
183.15059	1.1
184.09676	2.6
186.05695	1.3
186.09132	2.4
189.12329	1.0
196.07542	1.3
197.12869	2.4
198.07587	4.6
201.12338	4.1
202.08662	1.7
204.06766	1.0
205.09760	4.1
207.11288	3.8
208.14340	1.0
213.10202	1.8
214.10466	1.1
215.11925	0.9
215.13863	1.3
216.08563	1.2
219.13309	1.9
222.07806	1.2
223.10699	1.2
231.11479	2.5
233.09688	1.5
235.10579	2.0
237.12234	4.7
239.08250	1.0
240.08482	0.9
241.09631	3.5
242.08136	2.0
242.10101	5.8
242.12534	1.4
242.14925	9.4
243.11349	2.0
244.11723	3.0
247.10892	1.2
253.11813	17.4
255.10802	1.7
257.09473	1.6
259.10782	2.8
260.11206	4.0
261.12729	3.7
264.13666	1.0
265.11771	2.2
275.10535	3.0
285.12198	1.0
286.12628	3.4
293.11612	100.0
294.11917	2.0
299.10068	2.5
301.11655	2.1
302.12210	3.6
303.13608	1.3
317.13782	1.2
318.14011	4.4
327.09698	3.9
342.19931	1.2
345.10776	3.8
355.08685	1.0
363.10776	3.5
387.11707	3.0
388.43994	0.9
389.83694	0.9
405.12213	9.2
405.16895	30.1
405.21106	1.5
406.12659	1.3
406.17535	1.2
423.13876	24.8
423.21124	1.7
424.13614	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
56.05026	3.2
57.03415	0.6
58.99573	6.7
60.04506	3.4
61.01134	0.9
61.02898	0.9
65.03925	0.8
67.05501	8.6
69.03415	4.7
69.07058	19.8
69.82542	4.1
70.02940	1.0
70.06583	21.6
71.04978	0.8
71.06896	0.8
72.08133	4.4
73.02913	0.8
74.00652	1.0
74.06071	4.1
76.02218	3.8
76.02559	0.6
81.03390	1.8
82.06547	0.9
83.04964	0.9
83.06083	1.0
84.04496	10.4
84.08131	33.2
85.01102	0.7
85.02892	10.0
85.08473	3.1
85.08916	0.8
86.09695	10.9
87.04450	1.4
87.05563	1.2
88.03968	2.6
90.94824	0.6
91.05470	7.2
92.05782	1.4
93.07037	0.8
95.04964	3.5
96.04443	0.9
97.02873	5.0
98.05998	1.1
98.21050	1.3
99.02640	2.5
101.04228	47.6
101.07126	0.8
101.10781	0.8
102.03735	0.7
102.05527	3.4
103.03863	0.7
104.05312	1.1
104.07085	1.9
108.08099	1.6
109.02873	1.7
109.08440	0.8
110.06028	1.5
110.07151	9.1
111.09177	0.8
112.07587	2.9
112.08684	1.8
113.07046	0.7
114.05455	0.7
115.08629	0.6
116.07065	1.3
119.04960	1.3
119.32600	0.8
120.08079	12.2
121.08390	1.5
122.02727	1.1
122.06004	0.7
123.04366	1.0
124.07558	0.6
125.07145	0.6
126.05487	0.9
127.02129	5.9
127.03877	2.2
127.04879	0.8
127.05766	2.5
127.08685	3.4
129.03708	3.0
129.06595	1.1
129.10225	22.6
130.05020	3.7
130.06514	2.4
130.08614	4.6
130.10561	4.3
135.04385	0.8
136.07561	17.7
136.08551	1.0
138.05449	1.2
139.08731	0.7
140.07054	10.8
140.08110	1.2
141.06642	0.7
142.06874	0.6
143.11774	0.8
147.07626	2.1
147.11273	6.2
148.06033	0.8
155.01620	2.1
155.08147	2.1
156.07675	3.1
158.08057	1.3
159.07645	0.8
163.03870	2.4
164.07072	1.0
166.08566	1.5
170.06319	2.8
171.07607	0.8
172.04250	100.0
173.04652	3.0
173.09358	0.9
175.11960	0.8
180.04742	1.9
182.08063	4.0
187.94873	0.7
197.07410	3.6
198.05809	4.9
209.10309	2.0
214.05301	10.3
215.08519	4.7
218.91377	0.6
226.85434	0.7
238.05257	1.1
240.13469	1.6
244.06377	8.4
247.04407	0.7
248.09323	0.9
249.16003	2.2
251.10382	1.1
252.97893	0.7
261.06573	1.1
261.09045	13.9
275.17136	0.7
276.17114	1.7
277.17325	2.2
286.07443	1.7
302.12250	1.8
303.10193	0.9
322.18750	0.8
334.09348	1.5
337.05682	1.1
339.09872	0.8
342.10007	1.0
360.10910	1.2
377.13809	9.5
405.12729	1.5
405.17346	0.8
405.22241	1.3
423.14264	87.5
423.23499	10.9
424.14639	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	423.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
56.05017	2.3
57.03422	1.0
57.04189	0.5
58.99572	5.4
60.04497	1.6
60.05617	0.5
61.01133	0.7
61.02896	1.2
67.05186	0.5
67.05492	6.4
68.94975	0.4
69.03414	5.2
69.07056	18.6
70.06203	0.6
70.06576	8.7
70.07370	0.4
71.04967	0.6
71.06872	0.5
71.62997	0.7
72.08144	4.1
73.02891	0.8
74.06051	1.9
76.02225	3.2
81.03402	2.7
83.06083	0.9
84.04496	4.6
84.07639	1.1
84.08127	17.7
85.02891	10.1
85.08459	0.6
86.09686	6.9
87.04403	0.7
88.03947	1.8
89.03925	0.6
91.05457	1.8
95.04955	2.2
95.06068	0.9
96.04495	0.8
97.02868	4.5
99.02653	2.1
99.04456	0.5
101.04224	42.5
101.07107	1.0
101.10761	0.8
102.00072	0.5
102.05504	1.6
104.05295	1.9
104.07026	0.9
105.16392	0.4
108.08035	0.9
109.02852	1.0
110.06015	1.6
110.07146	5.3
112.03899	0.6
112.07587	2.5
113.07076	0.7
116.07077	1.0
119.01865	0.6
119.04893	1.0
120.06619	0.5
120.08073	6.9
121.01643	0.7
121.08405	0.6
122.02689	1.5
123.04470	0.5
125.07111	0.6
126.05463	0.7
127.02124	5.6
127.03852	2.1
127.04798	0.4
127.05752	2.9
129.03709	1.4
129.06479	0.6
129.10223	6.9
130.05026	1.1
130.08615	4.3
131.27046	0.5
133.06059	0.5
135.04382	0.9
136.07567	7.4
138.05444	1.7
140.07039	9.2
141.10114	0.6
142.69118	0.4
143.08122	0.6
145.01636	1.3
145.02756	0.5
145.04883	1.3
147.03215	0.7
147.04367	0.8
147.07680	0.7
147.11246	4.4
151.27745	0.4
152.05299	0.6
152.06993	0.6
155.01579	2.2
156.07672	1.1
157.09743	0.6
159.07692	0.5
161.02885	0.5
163.02646	1.6
163.03874	1.9
166.08588	0.5
168.04869	0.6
170.06299	3.1
172.04240	100.0
173.04524	1.0
175.11856	0.5
177.10144	0.7
180.04735	1.5
180.06279	0.7
181.41982	0.4
182.08107	4.1
186.09009	0.6
197.07391	3.3
198.05786	5.2
205.03755	0.8
206.08356	0.6
214.05295	8.2
215.08461	6.0
231.11382	0.5
238.05235	0.5
239.08278	0.6
244.06380	9.4
248.09334	0.7
249.15924	1.3
252.97871	0.9
261.09012	14.9
280.06204	0.5
284.11417	0.6
286.07373	1.7
289.09564	0.6
294.18103	0.7
302.12234	1.0
303.10022	2.3
334.09546	5.0
339.10175	0.6
355.09079	0.6
359.12399	0.5
377.13782	8.9
405.13089	0.6
405.21252	2.4
423.14258	74.4
423.23364	5.1
423.73428	0.7
424.14352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78196	0.2
55.05483	0.3
56.05023	2.9
57.03411	0.4
58.06585	0.3
59.00697	0.2
59.66333	0.2
65.13091	0.2
67.05476	0.4
68.68231	0.2
69.07054	0.6
69.97369	0.2
70.06579	1.5
70.89987	0.5
70.90366	0.3
72.08122	0.4
74.06070	9.5
79.05475	0.5
81.07038	0.3
82.06534	0.2
84.04490	0.7
84.08137	0.6
85.02895	0.3
86.09692	100.0
87.10011	1.6
91.05476	0.6
98.06052	1.2
103.05474	0.6
104.60287	0.2
107.08611	0.3
116.07051	1.1
120.08083	13.4
121.08443	0.5
126.05489	5.7
126.06365	0.3
131.04839	0.2
136.07561	0.4
139.12323	0.3
141.13869	0.3
144.06554	0.5
146.11786	0.5
166.08618	6.0
173.91899	0.2
183.14960	0.3
187.14568	0.4
195.11301	2.8
211.14383	1.1
220.16862	0.3
222.18558	0.4
233.16441	0.4
238.18083	0.7
239.13861	14.9
240.14267	0.7
240.19623	0.8
249.12469	0.3
257.14975	0.9
279.16989	10.5
280.17462	0.7
299.10458	0.3
360.19189	1.6
404.21677	0.5
404.34708	0.2
421.70834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01860	7.6
55.05494	7.1
57.07065	11.1
62.89082	1.2
67.05482	3.3
68.11333	0.9
69.07056	13.0
69.92764	3.9
71.08616	8.3
79.05472	7.7
81.07045	39.5
81.07525	2.0
83.02914	1.0
83.04974	1.7
83.08601	9.2
85.10171	3.9
89.06020	2.0
91.05478	2.0
93.07020	4.1
95.08602	11.0
97.06507	3.0
97.10151	5.7
99.04445	1.3
105.07046	5.0
107.08561	6.1
107.72548	0.9
109.06511	13.5
109.10136	5.5
109.54549	0.9
111.04426	1.6
111.08072	1.9
111.11706	5.3
115.11501	1.0
119.08543	5.5
121.10124	5.0
123.08035	2.6
123.11683	2.5
125.05972	22.9
125.13202	1.7
128.06116	1.0
128.47504	1.0
130.15881	1.9
131.08572	2.7
131.16237	1.4
133.10080	4.8
135.08005	1.7
135.11674	4.5
137.05957	100.0
137.13231	1.2
138.06342	1.2
139.07538	1.0
143.08540	1.3
145.10065	3.7
147.08107	1.1
147.11665	4.3
149.13257	1.1
151.07518	2.4
155.06981	7.3
155.10420	1.4
157.10147	2.0
159.11670	4.7
161.09554	1.9
161.13254	7.9
163.11090	1.5
163.14812	2.3
165.09129	1.3
171.11659	1.4
173.13280	1.7
175.11160	3.3
175.14789	3.0
177.12740	2.4
179.10701	1.3
179.14259	1.3
181.10123	1.0
181.12146	1.6
187.14732	1.9
189.12733	1.6
189.16296	1.3
193.12189	4.2
195.13795	2.3
201.16376	3.6
203.14325	1.0
203.18048	2.1
207.13774	3.3
209.15271	1.4
213.16272	1.5
215.18015	1.2
221.15367	1.4
231.17307	1.2
235.16898	2.0
245.19128	1.2
249.18544	1.1
259.20419	1.2
263.19986	1.9
277.21548	2.1
291.23154	1.0
333.27792	1.2
341.26563	1.3
385.34464	2.9
401.14493	1.1
403.35364	3.7
417.62991	1.1
421.34210	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	421.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05507	6.4
57.07070	6.0
59.04991	2.3
67.05499	13.1
69.07061	18.3
71.04970	1.3
71.08628	8.8
71.39425	2.3
74.09695	2.9
79.05482	7.2
81.07050	26.4
83.04964	3.8
83.08611	8.0
85.10175	3.5
89.06034	8.7
91.05467	11.6
93.07031	17.9
95.08598	32.7
97.10164	1.8
105.07033	20.1
107.08587	31.3
107.09274	2.8
109.06497	2.8
109.10143	34.4
111.08092	1.4
111.11707	1.9
117.07037	5.7
119.08566	27.9
121.10133	23.0
123.08048	3.7
123.11674	11.0
125.09586	3.2
129.06996	3.6
131.08543	11.3
133.08655	6.9
133.10115	21.6
135.08041	3.6
135.11679	10.6
137.13240	4.9
143.08563	5.4
145.10101	16.6
147.11656	15.6
149.09685	3.2
149.13231	10.7
151.14783	2.8
155.08487	2.1
157.10107	9.3
159.08073	1.1
159.11667	16.9
161.09599	1.4
161.13228	17.1
163.11218	4.6
163.14795	8.4
165.16495	1.6
167.55197	1.5
169.10106	5.1
171.11734	8.7
173.13226	14.7
175.14827	8.8
177.12758	2.8
177.16379	3.7
183.11678	4.7
185.13263	5.4
187.11172	1.4
187.14784	8.7
189.12671	1.4
189.16415	3.7
191.14264	3.1
195.11673	2.0
197.13245	3.9
199.14813	5.0
201.12640	1.5
201.16403	7.1
203.14316	4.6
203.17950	5.3
209.13205	2.3
211.14763	2.8
213.16434	5.0
215.14354	2.5
215.17979	4.5
217.19466	7.6
219.04576	1.3
219.21158	1.4
223.14793	1.8
225.16438	2.9
227.17941	3.2
229.15932	2.0
229.19478	13.1
231.21094	5.1
237.16310	1.5
239.14856	5.1
239.17903	1.6
241.15791	1.5
241.19666	1.9
243.17487	2.9
243.21126	5.1
245.18887	2.4
245.22643	5.4
255.17477	5.5
257.19049	3.4
257.22784	1.9
267.21085	1.3
269.19110	4.0
269.22339	1.5
271.20575	2.0
281.22531	1.3
283.20508	3.9
283.24072	3.6
297.22159	1.7
309.22089	1.8
311.23657	3.1
335.27466	2.2
339.26889	3.8
341.12698	1.2
341.26642	2.6
347.27213	1.7
365.28354	5.8
379.29965	2.4
403.33710	9.2
421.34622	100.0
422.34833	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	421.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
56.05023	7.8
58.22021	0.6
60.04514	8.0
60.05634	2.6
61.01140	5.3
66.82221	0.5
66.97041	0.5
67.29656	0.5
68.05025	1.8
69.07084	0.6
69.88126	3.6
70.02932	0.7
70.06584	100.0
71.04982	6.6
71.06922	1.5
72.08149	11.7
74.06077	1.8
76.02238	0.6
79.98451	0.5
83.06081	1.1
84.04498	8.6
84.08133	11.1
85.02916	0.6
85.07651	0.9
86.09700	10.0
87.05598	0.8
88.03989	1.5
88.07603	0.9
90.05563	0.6
91.05466	1.9
93.07030	1.3
95.06078	14.5
96.08136	0.6
97.07652	4.8
98.06050	4.8
98.15794	0.5
98.20788	1.2
102.05545	4.4
103.05454	2.2
104.05324	10.5
105.07025	0.7
107.08581	0.6
110.07162	5.8
111.09187	0.9
112.07584	2.9
112.08711	18.3
113.07131	2.1
114.10292	3.9
115.08684	21.2
116.07082	1.3
119.04903	1.0
120.08089	81.8
121.08447	1.6
123.05585	0.7
124.11237	0.7
125.07112	0.7
127.08666	1.6
129.10225	10.0
130.04984	1.7
130.06569	0.7
130.08791	0.7
130.09740	2.7
130.10579	0.7
136.07564	4.7
138.10220	1.3
139.08636	3.5
140.07129	1.0
140.08122	3.8
141.10146	0.6
144.06531	1.3
146.06335	4.8
148.06018	2.2
152.10670	0.5
154.09811	2.6
155.08148	0.9
157.08553	1.0
157.09715	8.1
157.10841	1.1
158.09265	1.0
161.09195	1.1
164.07013	1.1
166.08597	0.6
169.13319	1.8
173.09169	1.0
174.05801	2.8
175.11938	1.5
175.30849	0.5
181.09686	2.3
182.09273	2.5
185.09163	1.5
194.91757	0.5
196.14314	0.9
197.12750	0.9
199.11935	12.6
203.08549	0.6
205.09747	0.6
209.09140	1.6
211.15512	3.7
212.98370	0.5
217.11563	3.9
223.08659	0.7
223.10753	10.8
226.15398	1.7
228.18164	0.9
231.12344	0.9
233.09052	0.8
233.12770	0.8
241.09593	1.0
241.67502	0.9
242.12872	0.7
256.12970	0.7
256.17346	0.9
257.15958	1.0
259.10681	0.7
259.15292	2.4
260.32309	0.5
274.18616	1.7
283.10477	0.7
301.11682	1.0
301.16486	1.0
311.06528	1.0
318.19290	1.2
329.07358	0.7
329.15945	1.4
338.13504	0.6
350.71866	0.6
353.07425	1.5
362.17484	1.2
364.19345	0.9
403.10922	1.5
404.22794	0.9
421.21494	89.2
421.68781	0.8
422.13168	1.6
422.21973	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	421.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94000	0.6
54.38313	0.7
55.05497	2.4
56.05030	28.9
56.05305	1.6
57.03428	0.9
58.06586	2.5
60.04504	2.2
61.00833	1.2
61.01141	22.8
65.66909	0.6
67.05500	0.9
69.03411	1.0
69.07045	6.0
70.02909	0.8
70.06583	29.2
71.06892	1.0
71.08266	1.0
71.08621	12.4
71.76510	0.9
72.07738	1.0
72.08143	16.9
74.06071	39.2
76.03975	0.9
79.05459	0.8
81.03413	1.0
82.06563	1.0
82.96549	0.7
83.06101	1.6
84.04491	11.1
84.08132	12.6
85.02879	1.8
85.08431	0.8
86.09694	58.0
87.05590	1.6
88.03974	2.0
89.04229	3.0
91.05469	1.4
93.07040	1.2
93.40579	0.7
94.06532	0.8
95.04917	1.0
96.08112	2.4
98.09666	2.8
101.07127	2.5
102.05511	2.4
104.05316	49.9
105.06963	0.7
110.07155	5.4
112.08698	2.4
115.08691	1.0
116.07064	1.7
119.04886	0.8
120.08096	8.1
124.11209	10.3
125.07092	0.8
127.03859	0.8
127.08676	1.1
129.06554	1.6
129.10249	6.7
130.04993	1.1
130.06494	2.3
130.08609	1.2
132.04726	2.1
132.08037	1.3
136.07565	3.3
137.05968	0.9
141.06583	1.3
141.10165	4.3
142.12280	1.5
143.11754	3.6
147.11360	1.2
150.05736	1.1
152.10666	0.8
155.08154	1.3
157.07603	1.5
157.09653	0.8
158.06023	0.9
159.07657	6.3
159.08948	1.3
159.76279	0.8
169.06120	0.9
169.13312	3.8
172.11533	60.7
173.08018	1.8
173.09297	1.5
173.11752	1.1
177.08685	53.9
182.08160	0.8
187.07138	1.6
187.08708	0.8
187.10716	1.3
187.14412	1.8
215.13890	2.9
217.13670	100.0
218.13957	1.8
239.18332	1.3
245.13161	42.1
249.12495	1.8
255.11176	1.6
257.19437	1.2
259.19946	1.5
272.15952	5.0
285.12265	1.0
290.17017	3.4
301.11853	2.4
304.12897	1.0
318.11111	1.4
332.58502	0.8
346.17841	7.7
403.19943	9.3
403.24261	1.1
421.25717	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01858	0.6
55.05497	2.1
57.03422	0.5
57.07071	0.6
65.03932	0.6
67.05495	2.9
68.99776	0.6
69.03078	0.5
69.03419	5.8
69.07066	1.9
70.06569	1.6
71.04977	0.7
72.08141	0.3
79.05474	4.8
81.03414	2.5
81.07040	5.2
81.07473	0.5
83.04964	1.9
83.08613	0.3
84.04498	0.3
84.08112	0.4
85.02892	1.0
86.09682	1.5
87.00800	1.9
91.05463	5.9
93.07024	3.8
95.04958	1.6
95.08591	2.6
96.32591	0.3
96.76583	0.3
97.02879	2.9
97.06535	0.7
99.04432	0.6
103.05434	0.4
105.01824	0.7
105.07011	7.8
107.04935	3.9
107.08578	19.2
108.08829	0.4
108.86771	0.3
109.02867	4.7
109.06494	2.1
109.10137	5.9
115.05467	1.6
117.06997	1.7
118.07790	0.3
119.08572	4.2
120.08071	2.6
120.08865	0.5
121.06490	1.9
121.10123	9.8
122.07265	5.7
122.10496	0.4
123.08047	1.0
127.03899	10.4
131.08574	2.5
133.10106	100.0
134.10429	3.6
135.04474	0.3
135.08031	7.1
135.11668	1.2
136.08755	0.3
137.09595	55.8
138.09918	1.3
143.08536	1.1
145.04926	0.5
145.10098	1.4
146.11700	0.4
147.11655	2.2
149.09647	1.9
149.13239	8.1
150.13573	0.4
158.10867	1.5
161.05914	0.4
163.14813	1.9
169.04962	0.4
173.13246	5.0
179.07016	0.4
181.81873	0.3
189.12701	0.5
191.14275	44.7
192.14622	2.4
195.02924	0.4
213.03867	3.7
215.14322	0.3
220.16936	0.5
231.05009	1.8
238.17973	0.5
239.18565	0.4
240.19569	0.3
255.11223	0.6
276.13208	0.3
299.16327	0.3
301.11829	0.6
317.17374	0.9
324.70782	0.3
335.18561	0.4
353.85904	0.3
403.17358	1.1
421.18616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55847	0.4
55.05506	8.8
56.05030	7.1
57.05811	1.0
57.07080	0.5
60.04510	2.1
61.01141	7.2
67.05486	0.4
68.05021	8.1
69.07045	0.4
69.69566	3.2
70.06583	15.7
71.06908	0.5
71.56342	0.4
72.08146	100.0
73.08474	1.5
74.06072	2.9
79.05455	0.4
84.04497	4.3
84.08136	8.4
85.02905	0.7
85.07663	0.5
86.06065	0.4
86.09698	5.7
87.05573	0.8
88.03983	1.1
91.05466	0.7
96.04497	2.5
97.02824	0.5
97.57492	0.4
98.06065	0.5
101.07117	0.9
102.05538	1.3
104.05312	5.7
106.04947	0.6
110.07137	2.2
110.09712	0.4
113.07114	59.9
114.07459	0.9
116.07089	1.3
120.08113	2.6
126.05564	0.5
127.08672	0.7
129.06519	1.0
129.10219	4.7
130.05005	1.0
130.06497	1.2
130.08630	0.8
134.04469	0.9
136.07550	2.1
137.05981	0.8
141.06569	1.2
141.10175	0.5
143.11678	0.4
151.31296	0.4
155.08273	0.5
158.06010	0.4
158.10065	2.1
159.09163	0.9
161.07422	16.7
163.03854	0.6
163.49063	0.5
164.06950	0.5
171.07637	0.5
171.11273	0.4
172.04272	0.8
173.09230	0.9
189.06908	29.3
190.07057	0.6
191.10240	2.1
203.08437	0.5
203.10469	0.4
203.12057	2.4
207.13757	2.1
213.12321	1.3
215.10092	0.7
217.13527	0.5
219.13361	1.0
226.15492	0.7
231.11497	0.7
233.11295	33.0
234.11452	1.1
243.11572	5.9
253.45084	0.4
273.92160	0.5
286.68851	0.5
288.13733	7.2
354.72000	0.9
364.14975	0.6
421.24612	3.3
421.74045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01853	0.4
55.05498	1.9
57.07070	0.8
59.05011	0.2
64.92889	0.3
65.03941	0.7
67.05488	3.3
67.42219	0.2
68.93169	0.2
68.99780	0.8
69.03419	4.7
69.03788	0.3
69.07054	2.2
69.75151	2.1
70.06587	2.1
71.04975	0.4
72.08144	0.5
79.05482	5.4
80.05786	0.3
81.03403	2.6
81.07046	6.2
82.07412	0.2
83.04955	2.2
83.06081	0.4
83.08619	0.4
83.89272	0.2
84.04494	0.6
84.08134	0.9
85.02905	1.3
85.06460	0.3
86.09705	1.8
87.00813	1.7
87.04451	0.4
91.05460	6.4
91.05989	0.5
93.07034	3.8
95.04961	1.7
95.08587	2.5
97.02879	2.7
98.21502	0.3
99.04425	0.7
99.08098	0.4
103.05422	0.5
105.01834	0.4
105.07014	8.0
107.04922	3.6
107.08575	19.1
108.08153	0.4
108.08916	0.4
109.02867	4.8
109.06499	2.7
109.10139	6.0
110.07165	0.5
111.04454	0.4
111.08091	0.3
115.05456	1.7
117.06989	2.3
118.07823	0.4
119.08562	3.8
120.08111	1.5
121.06485	2.1
121.10126	11.5
122.07260	6.5
122.10494	0.4
123.08061	1.3
127.03896	9.4
129.06979	0.3
131.08517	2.2
133.10107	100.0
134.10455	2.0
135.08034	7.5
135.11685	1.2
136.07500	0.5
137.09592	53.3
138.09932	1.4
143.08559	0.9
145.04909	1.0
145.10080	1.5
147.04379	0.3
147.08054	0.3
147.11671	2.3
149.09579	1.8
149.13240	7.9
158.09706	0.3
158.10860	1.5
159.11588	0.4
161.09564	0.5
163.14787	1.7
166.34143	0.3
168.19217	0.3
169.04915	0.4
171.11603	0.5
173.09555	0.3
173.13226	5.8
179.06958	0.4
188.03476	0.3
189.09004	0.4
189.12654	0.6
191.14273	48.3
192.14656	1.3
195.02975	0.3
201.12570	0.3
203.14287	0.4
205.15871	0.3
213.03926	2.9
213.12589	0.3
220.06035	0.3
220.16966	0.8
221.17342	0.3
227.14247	0.3
231.04959	2.5
238.18025	1.1
240.19446	1.0
299.16327	0.5
317.17352	0.8
331.23102	0.5
335.18527	0.8
343.08588	0.3
403.17499	1.3
421.18552	1.1
421.25797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
54.65467	0.4
55.05504	2.8
56.04785	0.4
56.05021	3.8
57.03420	0.9
58.06597	3.4
60.04512	2.9
61.01116	1.2
61.02910	1.0
67.05482	2.4
68.05003	0.6
69.03420	3.7
69.07056	2.6
70.02907	0.7
70.06583	51.8
71.04964	1.1
71.06891	1.1
72.08144	8.5
73.02888	0.8
74.06071	3.5
76.02201	0.5
79.05461	1.4
81.03381	1.7
81.07046	5.8
82.06557	1.1
83.06071	0.8
83.08620	0.6
84.04497	6.4
84.07641	0.5
84.08131	10.5
85.02900	5.9
85.06501	0.8
85.08443	0.8
86.09694	21.5
87.04422	1.0
87.05542	0.8
87.10032	2.7
88.03957	1.4
91.05461	3.8
93.07024	2.2
95.04926	0.5
95.06078	0.7
95.08605	4.9
96.04480	0.7
96.08123	0.9
97.02882	3.2
97.06480	1.0
97.10152	0.8
98.06032	0.7
98.09673	1.0
98.20673	0.9
99.04440	0.6
99.05501	0.4
101.07089	1.4
102.05500	2.0
104.05305	2.7
107.04927	0.6
107.08543	1.5
109.02846	1.2
109.06474	1.2
109.10126	1.4
110.07150	6.9
112.08715	2.1
114.09194	0.5
115.08646	1.5
116.07085	2.1
119.08527	0.9
120.08094	11.8
121.06462	1.0
121.10136	0.9
121.27473	0.5
123.07996	0.9
123.11649	0.5
124.07544	1.7
124.11128	0.6
127.03889	1.4
127.08681	5.0
128.10643	0.5
129.10236	5.5
130.04970	0.9
130.06554	0.5
130.08575	0.7
133.10088	1.3
135.04388	0.8
135.08025	0.9
136.07567	4.1
137.05956	1.1
137.07857	0.5
137.09601	0.7
138.05368	0.5
140.10637	0.6
141.10211	0.9
143.08278	0.5
143.11739	1.2
144.06538	0.5
145.04877	0.9
145.09886	0.5
147.04362	0.7
147.07700	0.9
147.11423	0.7
149.09575	0.5
150.05679	0.5
152.06975	0.5
153.09068	0.5
155.08127	4.2
156.07733	0.7
157.06102	0.4
157.09727	3.6
157.13307	0.5
159.11594	0.5
163.03772	0.5
163.11134	0.6
164.07018	1.0
165.05367	0.5
166.08638	0.9
169.03223	2.3
169.09738	0.7
171.11234	0.6
173.09201	4.4
173.12830	1.3
174.13152	1.0
175.11887	0.7
177.05414	0.6
177.08942	0.5
179.07008	0.5
179.10677	0.9
182.08101	1.1
183.11392	0.6
185.09158	1.9
185.16318	0.4
187.10791	1.2
187.14479	0.8
189.12416	0.7
193.12148	2.5
201.12292	1.5
202.12741	0.5
205.10083	0.9
205.12175	1.9
215.13785	0.6
217.13489	0.5
219.13235	0.8
220.13573	0.5
221.12877	0.8
222.18503	15.9
223.13315	1.1
223.18932	0.6
228.13586	0.6
233.09470	0.8
235.12041	0.5
237.12413	1.3
240.19554	46.4
241.05414	0.6
241.19833	1.5
249.12367	2.2
251.08058	0.5
256.12836	2.1
258.20618	100.0
259.20966	3.4
267.13281	0.7
273.18872	0.5
297.08655	0.4
311.06522	1.8
325.08084	1.1
325.15149	0.5
327.09833	0.6
329.07626	1.8
332.16074	0.5
347.08939	0.8
353.07623	2.5
354.21356	0.4
371.08572	0.6
384.23773	1.3
385.09845	0.5
402.24573	0.9
403.11441	3.7
403.19785	2.0
420.25873	68.3
421.21088	4.1
421.26190	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	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16451	0.2
50.67782	0.2
55.05524	0.2
56.05032	1.0
60.04519	2.1
65.03937	1.6
67.52308	0.2
69.03426	0.4
69.07065	0.4
70.06585	3.7
71.06886	0.3
71.47554	0.5
72.08144	2.4
72.73446	0.2
74.06055	1.2
74.23505	0.2
76.02207	0.3
79.05483	0.3
82.05304	0.2
82.93268	0.2
83.06084	1.0
84.04489	2.7
84.07674	0.4
84.08135	4.2
85.02883	1.0
85.04024	0.3
86.06038	0.3
86.09694	6.3
87.05568	0.7
87.10024	0.5
88.03986	0.4
89.03899	0.5
89.06017	2.7
89.07164	0.3
91.05470	100.0
92.05806	1.3
93.04503	0.3
95.06096	0.4
97.02877	0.4
101.00899	0.4
101.07156	1.3
102.05544	0.6
104.05293	0.5
104.07061	0.3
106.04993	0.4
107.04942	0.5
108.08103	42.3
109.02838	0.2
109.08430	0.3
110.07148	4.0
112.07587	0.2
112.08706	0.3
113.07129	0.5
115.08663	0.8
117.03349	0.5
118.92374	0.2
119.01926	1.2
120.08092	0.5
122.02689	0.3
122.03625	0.6
122.07066	0.2
124.02269	0.4
126.05490	0.6
127.03895	0.4
129.06528	0.3
129.10239	2.8
130.04971	0.9
130.08624	0.6
133.06180	0.2
133.08591	0.4
135.04393	1.2
136.07549	0.6
137.05957	10.0
138.06361	0.4
141.06566	0.2
143.01880	1.7
143.08156	0.5
143.11705	0.2
144.06561	0.3
145.02661	0.3
145.03529	0.6
146.07051	0.3
147.04396	0.3
147.07617	0.5
147.11285	0.2
151.09636	11.2
153.06668	0.3
155.01930	0.3
156.07704	0.4
161.02930	2.6
163.03883	6.9
164.04234	0.9
165.04387	0.6
167.08023	0.3
170.02660	0.2
171.07646	0.2
173.02914	1.0
173.08084	0.3
173.12871	0.5
174.96892	0.3
183.11177	0.3
189.02304	0.4
191.07562	0.3
200.13855	0.3
201.12274	0.6
202.08182	0.5
203.03979	1.0
207.99176	0.3
213.08748	0.3
217.01932	1.2
219.13257	0.2
220.16965	0.2
221.02957	2.1
222.03011	0.4
234.98943	0.6
235.02924	0.7
239.03931	0.5
239.11305	0.4
246.09792	0.4
246.14381	0.3
247.04489	0.5
256.18954	0.6
257.19421	0.5
258.19608	0.8
260.10507	0.6
271.13959	0.4
277.03775	0.4
278.11758	0.4
297.15485	0.3
298.14059	0.3
315.16348	0.5
319.02802	1.0
420.19382	1.8
420.24542	1.4
421.12088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49810	1.0
50.81470	0.9
55.01871	0.9
56.05015	0.9
57.03431	19.4
60.45734	0.8
61.02918	6.6
62.27834	0.7
65.03936	1.7
65.71223	0.8
66.93855	0.8
67.05525	1.0
69.03422	14.0
70.06583	11.5
70.77917	0.9
71.01353	2.2
71.04112	0.8
72.08154	3.2
73.02908	39.9
81.03426	2.2
81.07085	1.2
84.04479	1.4
84.08125	4.3
85.02894	28.4
85.74526	0.8
86.09678	6.6
87.04455	1.8
91.05472	100.0
92.05810	1.6
96.04501	1.0
97.02881	40.3
104.71217	0.9
105.07062	1.8
109.02867	2.7
110.07164	1.7
115.03917	25.8
117.07032	1.6
120.08086	3.5
127.03889	9.4
129.06920	1.4
129.10239	2.7
130.05016	1.0
133.04974	6.9
133.06480	2.1
136.07571	2.2
145.04962	11.2
145.06448	1.9
150.07614	2.9
157.06482	1.3
159.07956	1.0
161.04460	3.8
163.05962	4.8
171.08023	2.5
175.07484	1.2
201.12257	1.0
205.08604	3.0
217.08629	4.3
223.06049	2.3
235.09666	3.1
238.17931	1.5
239.18315	1.6
241.07101	4.0
253.10687	5.5
256.19028	1.1
257.19443	1.6
259.08075	5.2
271.11615	1.5
295.10291	3.7
420.25677	6.9
421.20444	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	419.3514
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
52.67175	2.5
55.05492	11.2
57.07066	18.5
67.05490	5.8
69.07043	13.2
71.08612	11.3
71.54749	4.7
79.05477	10.3
81.07063	12.4
83.04959	6.3
83.08617	8.0
85.10191	7.9
85.48098	2.6
91.05463	4.5
93.07054	6.1
95.08602	9.9
97.06519	19.6
97.10130	4.6
99.04430	4.2
107.04969	6.3
107.08579	6.0
109.06501	6.3
109.10142	5.7
111.04453	3.6
111.11618	4.0
115.03949	2.8
119.08592	5.7
121.10143	7.5
123.08054	4.8
125.05975	61.6
127.03905	5.0
133.10130	4.6
135.08035	3.5
137.05940	10.3
139.03970	5.9
146.27318	2.6
149.02263	2.9
153.05453	100.0
159.11714	3.7
161.09634	2.5
167.07094	6.4
173.13217	3.6
175.14920	2.8
177.12784	3.2
191.10699	4.9
193.12270	3.8
205.12221	4.3
260.17932	2.4
261.22562	2.4
279.19379	2.4
363.09396	2.7
373.34460	2.8
401.34131	7.5
408.56900	3.0
419.35159	95.2
420.35635	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	420.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64628	1.0
55.05492	3.0
56.05025	7.3
57.03436	1.4
58.99565	1.5
60.04228	1.9
60.04517	31.3
60.05640	1.4
61.02908	2.2
67.05476	1.9
69.03402	4.3
69.07047	2.6
70.02943	5.3
70.06583	31.8
71.06924	1.3
71.56876	1.8
72.08142	46.3
72.08544	2.5
73.08459	2.8
73.67962	0.9
74.06070	10.7
76.02218	7.5
76.03978	1.9
76.41044	1.0
79.05474	4.2
81.03372	1.4
82.05283	1.2
82.06565	2.2
83.04991	1.1
83.06103	5.4
84.04494	21.3
84.08131	30.8
85.02891	10.0
85.04030	1.2
85.06503	1.2
85.08457	2.6
86.06063	1.3
86.09692	63.2
86.98961	1.1
87.04447	1.3
87.05576	13.6
87.09995	2.5
88.03981	4.0
89.03893	6.3
90.05561	1.3
91.05462	5.1
93.04526	2.3
95.01297	1.6
95.04916	1.3
95.06087	2.9
96.08101	1.3
97.02886	5.4
97.04008	1.1
98.02408	1.4
98.06055	2.0
99.04470	1.2
99.05585	1.2
100.02176	3.6
101.07145	7.2
102.05525	7.0
104.05312	4.3
104.07098	2.2
106.04987	2.4
107.04945	5.5
108.08101	1.6
109.07719	1.1
110.07153	26.3
110.09699	1.3
111.05647	1.2
111.07499	1.2
112.08704	2.2
113.02354	2.3
113.07137	2.0
115.05052	5.9
115.08651	2.4
116.01656	2.3
116.07104	3.4
117.03378	8.0
119.01931	5.3
119.04941	3.3
120.08076	3.4
122.02621	1.0
122.07137	1.3
123.04450	2.0
123.05471	2.5
124.02275	1.1
126.05527	2.4
127.03886	3.5
127.04934	1.6
127.08616	2.1
128.10738	1.9
129.06555	2.5
129.10216	26.5
130.04977	15.7
130.06509	1.7
130.08635	2.4
130.10605	2.3
131.01907	2.9
131.08093	2.3
133.06075	13.7
135.04385	21.8
136.04703	1.3
136.06149	2.8
136.07562	5.9
137.05957	6.7
138.05542	1.3
139.03894	1.2
141.10193	3.2
142.03188	1.3
143.01865	2.6
143.11751	1.5
144.06439	1.2
145.02756	13.9
145.04996	2.2
146.02672	8.1
147.04385	8.8
147.05780	1.6
147.07640	20.6
147.11308	2.0
153.10190	1.0
155.08115	2.3
155.11755	2.7
156.07698	2.3
157.06029	6.3
157.09763	2.7
158.09149	1.2
158.97264	1.3
159.07687	2.1
159.09088	1.3
159.11270	2.5
161.02913	4.8
161.09196	2.2
162.02208	2.0
163.03879	100.0
164.04247	7.8
165.04387	3.0
167.04369	1.2
167.09323	1.6
171.07640	2.8
172.00009	1.1
173.02943	2.1
173.09323	1.2
173.12848	18.0
174.08643	1.5
175.07167	1.9
175.10667	1.2
178.13293	1.1
179.04852	5.5
183.11270	1.7
185.02965	1.4
185.05553	2.9
187.10780	2.1
193.03419	1.4
195.08740	1.5
198.98578	1.9
200.13916	8.2
201.12320	7.7
202.08173	10.6
203.01930	2.4
203.03900	1.6
203.06512	7.2
214.08212	1.9
214.89166	1.0
216.13493	1.1
217.01903	1.9
219.13393	3.7
220.09244	21.0
221.02933	52.0
221.04857	1.9
222.03087	4.7
223.04561	1.3
228.09755	4.3
228.13423	3.6
230.14981	2.1
232.12865	1.9
234.98933	3.2
238.17999	1.5
239.03947	16.2
239.11282	4.0
239.18336	1.7
240.18626	1.7
244.04521	2.9
245.04973	3.0
246.10809	1.9
246.14491	8.0
247.04521	10.8
256.19000	4.5
257.19379	5.3
258.19669	4.1
259.07349	2.9
263.04041	1.7
265.05533	3.0
270.14474	5.7
273.13263	1.2
275.03906	6.0
281.05014	4.1
288.15475	3.6
293.04913	4.0
297.06104	2.1
299.06195	3.9
301.01819	3.0
303.16443	1.9
309.04425	1.9
311.06100	3.4
315.16629	3.5
317.18210	3.0
319.02908	30.3
320.02997	1.2
322.02643	1.3
322.07468	1.4
331.16165	1.5
337.03864	1.7
345.17520	3.3
351.14963	1.3
355.04654	1.5
402.19464	3.8
402.24408	1.6
403.18213	1.2
411.14563	1.1
411.70209	1.5
419.24808	4.9
419.70697	2.6
420.19440	15.9
420.24713	12.2
421.12314	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	419.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56791	0.2
55.01863	0.7
57.07053	0.5
71.08616	0.4
71.27148	0.5
71.27467	0.2
72.07671	0.2
83.08661	0.3
99.00778	0.6
99.04453	2.7
111.04432	2.4
125.05972	9.2
141.05438	4.6
149.02307	0.4
153.05441	100.0
154.05782	1.6
167.06992	0.4
212.83311	0.3
343.48740	0.3
419.35132	41.0
420.35410	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	419.1332
Annotation	Natsudaidain
Peak:m/z	Relative Intensity
52.70588	0.4
55.05486	0.4
58.92575	0.4
67.05495	0.6
70.06558	1.7
71.33676	0.9
79.05470	0.6
81.07048	0.8
83.08609	0.5
84.08130	0.6
84.30512	0.4
85.96470	0.5
86.66426	0.5
94.59947	0.5
95.08610	0.6
110.07075	0.7
119.08554	0.6
121.10158	0.5
131.08632	0.6
133.10201	0.7
140.68349	0.5
149.02359	1.1
151.07527	1.0
165.05452	7.1
165.06723	0.8
215.78166	0.6
229.04875	0.6
247.05960	0.7
272.06708	0.9
274.04672	1.7
275.05585	0.9
285.03894	1.9
297.03891	0.8
299.05533	0.7
300.06296	3.3
303.04965	5.6
313.03369	5.3
313.06631	0.8
315.04990	1.3
315.08578	1.0
317.06424	0.8
318.07361	1.0
327.04910	1.0
328.05746	14.2
329.06393	1.1
331.04425	8.3
341.02829	0.9
342.06946	0.8
343.08102	6.0
345.06018	1.3
346.06796	10.4
356.05151	1.4
361.09140	20.3
362.09305	1.0
371.07544	6.9
373.05475	1.0
374.06317	3.3
386.09854	2.5
389.08633	70.5
390.08957	2.3
402.95499	0.5
403.10498	0.7
404.11011	9.0
419.13333	100.0
420.13602	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	419.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17868	0.3
53.03906	0.3
55.01851	0.8
55.05498	2.4
56.05029	4.0
57.03427	1.8
58.06584	0.7
58.46148	0.3
60.04213	0.5
60.04515	6.7
60.05637	1.1
61.01128	1.1
61.02908	0.6
61.27804	0.3
65.03959	0.3
65.12361	0.3
67.05492	1.3
67.65553	0.3
68.05025	0.6
69.03431	2.1
69.07059	4.0
69.59519	1.4
69.59952	1.3
70.02945	0.8
70.06583	35.6
71.04974	1.2
71.06898	1.8
72.04510	0.6
72.08146	16.1
73.02919	3.1
73.08479	0.9
74.06067	3.8
76.02216	0.5
76.03973	0.3
79.05479	1.2
80.05001	0.5
81.03405	1.2
81.07044	1.6
82.06580	0.7
83.04949	1.0
83.06091	0.6
84.04497	7.5
84.08131	12.0
85.02895	4.3
85.04815	0.3
85.06553	0.5
85.08470	0.4
85.31265	0.3
86.06070	1.4
86.09694	100.0
87.04457	0.9
87.05579	4.2
87.10012	2.7
88.03985	1.8
90.01905	0.4
91.05463	9.5
91.06011	0.7
93.07042	1.2
94.06549	0.7
95.04967	0.8
95.06033	0.8
95.08602	0.9
96.04464	0.4
96.08118	0.7
97.02872	3.6
97.06522	1.0
97.51295	0.3
98.06046	1.1
98.09746	0.4
98.20781	0.6
99.04444	0.5
99.05590	0.3
100.07623	0.3
101.07133	1.5
102.05528	2.8
103.05451	0.6
104.05306	3.1
104.07109	0.8
105.07048	0.9
106.04993	1.0
107.04941	1.2
107.08585	0.9
108.08104	0.8
109.02879	0.5
109.06524	0.7
109.10169	0.8
110.06004	0.5
110.07150	5.1
110.09680	1.2
111.09186	0.4
112.03927	0.3
112.07616	0.5
112.08718	1.5
113.07111	0.8
115.03916	1.6
115.08670	1.2
116.07062	2.9
119.04919	0.9
119.08580	0.6
120.06680	0.7
120.08085	10.6
121.06500	1.1
121.08407	0.5
121.10122	0.4
122.02701	0.4
122.06047	0.5
122.09629	0.6
123.04415	0.5
123.08105	0.4
124.07584	0.9
124.08530	0.4
125.05994	0.3
125.07100	0.3
125.09603	0.4
125.69894	0.3
126.05518	0.5
127.03925	1.5
127.04934	0.3
127.08656	0.8
128.10725	2.2
129.06606	0.4
129.10228	7.7
130.05005	1.3
130.06523	0.4
130.08656	0.8
130.10574	0.5
131.08525	0.5
132.10216	0.4
133.05016	0.6
133.06090	0.7
133.10144	0.5
135.04413	1.1
135.08070	0.7
135.11684	0.7
136.07567	4.5
137.09593	0.4
138.09155	0.4
141.06587	0.5
141.10202	0.6
143.08386	0.5
143.11728	0.7
144.06581	0.5
145.04948	1.0
145.06461	0.6
147.04370	0.7
147.07724	0.5
147.11275	0.5
148.06000	0.5
149.05916	0.4
153.10222	0.4
153.12703	0.8
155.08208	0.7
155.11800	2.0
156.07626	0.5
157.09677	0.4
157.13332	0.6
159.07722	0.4
159.11397	1.1
161.09412	0.8
165.05437	0.7
166.08643	0.7
169.09758	0.4
169.13373	0.8
171.07729	0.8
173.09254	1.3
173.12840	20.9
174.00597	0.3
174.13184	0.6
175.07275	0.3
175.11928	1.1
177.05461	0.7
177.10307	0.5
178.05879	0.4
179.10620	0.5
179.52571	0.3
181.10002	0.4
182.08102	0.7
183.11215	1.6
183.15012	0.9
185.09270	0.6
185.16524	0.8
187.07428	0.4
187.10832	1.3
187.14465	1.4
189.12383	0.6
195.11273	0.4
197.12949	0.8
199.10780	0.3
199.18106	0.7
201.12315	15.9
202.12868	0.4
203.12209	0.5
205.11839	1.9
207.07985	0.8
209.09262	0.5
210.18466	0.4
211.14238	0.3
213.12543	0.3
213.15997	0.6
215.13947	1.5
217.08376	0.6
217.13467	1.2
219.13374	16.2
220.13699	0.8
220.16937	2.1
221.17317	0.6
223.13274	0.6
226.11961	0.9
226.15570	0.5
231.04863	0.4
231.11664	0.4
231.17049	1.0
233.09549	0.4
233.15051	0.4
234.98961	0.4
237.19397	0.4
238.15675	0.5
238.18002	3.4
239.18364	0.6
240.11009	0.5
240.19586	0.6
241.14383	0.8
245.12979	1.0
249.12752	0.4
256.19000	3.8
257.19513	1.2
258.20663	1.0
269.18622	1.0
270.14548	1.3
272.18671	3.6
288.15527	0.8
295.10339	0.4
296.19650	5.8
296.22693	0.4
303.05182	0.7
306.16577	1.0
314.20700	2.5
333.15225	0.5
375.16507	1.0
377.02100	0.4
383.22141	0.5
401.23480	3.2
419.15405	2.6
419.24954	14.5
419.57236	0.5
420.12076	0.5
420.25916	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	418.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.0
55.05497	7.8
57.07057	4.7
59.04985	2.7
67.05482	12.2
69.03421	7.3
69.07042	8.0
69.60871	14.8
69.61287	7.4
71.04981	5.4
74.10222	2.6
79.05484	22.3
81.07038	30.5
83.04949	5.4
83.08572	3.7
85.06547	3.2
91.05473	45.3
93.07026	43.9
95.04936	14.1
95.08604	18.8
97.06522	2.9
98.98440	9.5
100.19522	2.7
103.05543	3.5
105.06292	4.8
105.07009	98.7
107.08574	39.3
109.06503	100.0
109.10142	19.1
111.08040	15.5
115.05439	5.0
116.06112	3.7
117.07001	23.5
119.07692	3.6
119.08559	66.7
119.09370	5.6
121.06493	11.1
121.07274	2.6
121.10137	31.6
122.07257	5.4
123.08064	11.4
123.11723	3.5
125.09621	5.6
128.06190	12.8
129.07007	18.3
130.07764	6.0
131.08531	46.1
132.09331	4.5
133.10109	31.1
135.08054	21.0
135.11678	13.4
137.09569	24.5
141.06972	8.2
142.07765	21.9
143.08524	39.2
144.09340	15.4
145.10094	57.0
146.10812	4.5
147.08040	16.6
147.11662	21.6
149.09589	10.1
151.11147	7.1
153.07001	2.9
154.07722	4.7
155.01024	7.7
155.08560	12.9
156.09273	15.3
157.10118	54.6
158.10817	10.8
159.08003	7.3
159.11641	23.5
161.09590	13.6
165.07031	7.8
166.07715	3.8
167.08577	8.5
168.09277	7.0
168.62517	2.8
169.10081	24.7
170.10873	10.3
171.11659	32.2
173.09583	4.9
173.13231	18.4
175.11195	9.4
175.14729	6.6
179.08533	10.6
180.09367	7.5
181.10091	16.5
182.10794	5.3
183.11673	28.6
185.09650	3.2
185.13200	13.2
187.11128	5.9
187.14778	10.8
189.12794	4.0
192.09314	5.3
193.10123	11.6
194.10922	8.2
195.11649	32.4
196.12436	5.9
197.09618	4.4
197.13228	13.3
199.11180	5.6
199.14780	6.7
200.12070	3.1
201.12601	5.8
201.16301	3.4
203.14293	4.3
205.10236	5.2
206.10834	5.3
207.11682	15.2
208.12439	10.3
209.13257	20.0
210.13846	4.8
211.11307	4.0
211.14813	10.6
213.12764	8.9
213.16258	4.6
219.11661	3.4
220.12386	5.9
221.13190	10.3
223.14745	15.0
233.13310	3.7
235.14656	14.1
237.16351	15.9
239.14429	3.8
247.14893	4.5
249.16216	3.3
251.17879	4.6
253.15932	6.3
261.16293	5.8
263.14355	4.8
265.15933	6.5
270.19662	3.5
283.20349	3.3
357.25864	5.1
362.22134	5.2
375.26450	5.1
400.27377	4.1
418.17444	11.6
418.28574	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	418.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01845	0.6
55.05486	1.4
56.05014	0.4
57.03433	1.7
58.06549	0.3
61.02923	2.0
67.05464	1.6
69.03072	0.4
69.03422	5.8
69.07059	1.7
70.06586	5.1
71.04980	0.8
71.45031	0.4
71.45358	0.5
72.08152	2.6
73.02919	2.1
73.08485	0.6
79.05474	2.2
80.04988	0.4
81.03396	1.6
81.07030	1.1
82.06562	1.2
83.08593	0.6
84.04475	1.2
84.08123	0.9
85.02428	0.6
85.02898	7.7
86.09693	3.3
87.04459	2.1
87.10007	0.4
89.43684	0.4
91.05454	1.1
93.07015	1.3
94.06544	1.9
95.04926	0.6
95.08588	1.0
96.08121	3.5
97.02874	3.3
99.04436	1.0
101.02335	0.4
103.39863	0.3
105.06995	1.1
107.07346	1.2
107.08568	1.4
108.08115	2.4
109.02836	1.1
109.06490	0.5
109.08905	0.6
109.10185	0.3
110.09653	1.6
119.08578	0.5
120.08074	1.1
122.09647	1.7
124.11184	1.1
127.03901	1.7
129.10202	0.5
133.10121	0.4
134.09618	0.6
136.11153	0.4
144.12085	0.4
145.04956	0.8
145.10123	0.6
176.14304	0.3
177.05513	0.4
190.15952	0.4
192.17502	1.0
202.15910	0.9
218.15375	1.1
220.16936	22.6
221.17255	1.0
236.16359	0.7
238.17993	30.9
239.18384	1.5
256.19058	100.0
257.19342	5.1
280.19000	0.8
298.20087	1.1
382.22159	0.8
400.23331	3.6
418.24329	97.9
419.24652	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	418.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33570	0.2
55.01832	0.3
55.05481	0.9
56.05011	0.3
57.03409	0.6
58.06562	0.4
61.02905	0.5
61.69132	0.2
62.15718	0.2
66.42396	0.2
67.05463	1.0
68.05006	0.4
69.03094	0.2
69.03419	2.0
69.07055	1.3
70.06585	1.9
71.04952	0.4
71.10036	0.5
73.02876	0.5
74.62196	0.2
79.05488	1.2
79.05843	0.2
81.03365	0.6
81.07050	1.1
82.06548	0.6
83.08583	0.5
84.04485	0.4
84.08136	0.5
85.02439	0.3
85.02887	3.2
86.09674	0.7
87.04430	0.5
91.05447	0.6
93.07029	1.1
94.06541	1.3
95.08578	0.7
96.08111	2.7
97.02865	1.3
99.04406	0.4
105.06991	0.6
107.07298	0.4
107.08542	0.9
108.08102	2.0
109.02790	0.4
109.08837	0.4
109.10118	0.3
110.09643	1.1
119.08599	0.4
120.08064	0.5
121.10056	0.3
122.09650	1.2
122.10368	0.3
123.10397	0.3
124.11198	0.7
127.02621	0.2
127.03870	0.8
127.09911	0.5
129.10201	0.2
131.08611	0.3
133.09972	0.3
134.09711	0.3
144.02875	0.2
145.10075	0.4
163.68800	0.2
170.11725	0.3
190.15770	0.4
192.13785	0.4
192.17419	0.7
202.15887	0.6
218.15361	0.6
220.16920	17.8
221.17178	0.3
236.16350	0.5
238.17973	23.7
239.18210	0.5
256.19025	100.0
257.19400	2.6
280.19025	0.3
287.66681	0.3
298.20142	0.9
352.95273	0.2
361.90985	0.3
382.22003	0.8
400.23273	3.2
418.24289	53.3
419.24576	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	418.2429
Annotation	Mycalamide C
Peak:m/z	Relative Intensity
55.01880	0.4
55.05502	2.0
56.05028	0.7
57.03420	0.5
57.30364	0.4
60.81886	0.4
61.02465	0.4
61.02906	0.6
67.05474	1.5
68.04967	0.3
69.03417	3.0
69.07063	1.8
70.06586	4.8
70.09084	0.4
70.28053	1.7
71.04980	0.8
72.08147	2.3
73.02879	0.5
73.97803	0.3
74.06066	1.0
74.71350	0.4
76.03974	1.2
79.05482	2.2
80.04998	0.4
80.61600	0.5
81.03393	0.8
81.07030	1.5
82.06567	1.1
84.04476	1.6
84.08140	3.1
85.02901	4.4
86.06063	0.4
86.09697	4.4
87.04442	1.1
87.05554	0.5
91.05442	0.7
93.07041	1.8
94.06555	3.1
95.04971	0.4
95.07320	0.4
95.08588	1.0
96.08109	3.3
97.02869	2.7
99.04435	0.5
102.05537	0.6
104.07076	1.0
107.07322	1.3
107.08576	0.9
108.08121	2.8
109.02811	0.5
109.06530	0.6
109.08897	0.8
109.10140	0.4
110.09643	1.1
111.08086	0.4
117.06991	0.6
118.55318	0.4
119.08553	0.8
120.08059	0.9
121.10092	0.5
122.09663	3.3
123.10466	0.5
124.11233	0.8
127.03892	2.3
127.09899	1.2
128.44218	0.4
129.10214	1.8
130.04996	0.5
134.09657	0.4
136.07567	0.4
136.94017	2.9
140.10701	0.8
145.04944	1.1
145.10123	0.4
147.82425	0.4
148.93997	0.8
163.03862	1.5
166.95071	1.6
185.12997	0.4
192.17433	0.9
196.96159	0.6
202.15878	0.8
213.72453	0.4
216.09767	0.5
218.15396	1.1
220.16940	26.6
221.17253	0.9
236.16504	0.5
238.17987	32.7
239.18332	1.6
256.19052	91.6
256.98297	0.5
257.19348	4.0
280.19095	1.9
298.20151	3.2
317.09586	0.5
382.22284	3.5
400.23248	14.2
401.23691	0.8
418.24295	100.0
419.03311	1.1
419.13058	0.7
419.24716	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	418.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.32954	0.5
55.01849	0.5
55.05490	1.4
56.05013	1.4
57.03407	1.0
58.06572	0.6
58.12045	0.5
60.04490	1.2
61.02902	1.3
67.05482	1.3
69.03419	4.1
69.07040	1.7
70.06580	11.2
71.04955	0.5
71.49915	0.6
71.50282	1.2
71.96011	0.5
72.08115	2.3
73.02901	0.6
74.06041	2.1
79.05450	1.6
81.03391	1.9
81.07025	1.8
82.06538	1.7
84.04472	1.2
84.08099	2.3
84.72675	0.5
85.02894	7.2
86.09705	3.6
87.04436	1.3
89.06019	55.6
90.77738	0.5
91.05460	1.4
93.07032	1.3
94.06538	2.3
95.08569	1.4
96.08135	2.7
97.02882	3.6
98.06004	0.6
102.05512	1.2
104.05343	1.0
105.07020	0.8
105.58314	0.5
107.07216	1.8
107.08550	0.9
108.08099	3.0
109.02875	0.9
109.08844	1.0
110.07130	1.4
110.09640	2.0
117.03423	0.5
119.08529	0.5
120.08059	1.9
122.09644	2.1
127.03916	2.6
127.09875	1.3
129.10187	1.7
133.08589	26.7
133.09605	1.3
136.11165	0.8
140.10638	0.8
145.02856	0.6
145.04944	1.0
148.11084	0.7
151.09628	2.4
163.03795	0.8
176.14249	0.5
177.05475	1.7
177.11212	5.1
186.08640	0.5
187.10715	0.5
192.17516	1.0
195.12299	1.5
218.15388	1.6
220.16936	24.5
238.17987	28.0
239.14861	85.7
240.15149	1.7
256.19052	30.1
257.19476	0.7
280.19028	3.2
298.20142	4.7
333.19846	0.6
382.22183	4.9
400.23224	19.3
418.24304	100.0
419.24512	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	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01854	0.9
55.05508	2.0
56.05013	3.1
59.02554	0.7
59.59429	0.7
59.79839	0.7
60.04515	4.2
60.05637	1.0
61.02898	1.7
67.05490	1.9
68.05025	1.3
69.03422	4.5
69.07037	3.3
69.68149	5.6
70.02934	1.3
70.06582	21.7
71.04976	1.5
71.06902	1.6
72.08144	12.0
74.06070	6.0
75.05598	0.9
79.05454	2.2
81.03397	1.7
81.07041	1.7
82.06557	1.9
83.06078	1.7
83.08609	0.9
84.04494	11.8
84.08133	12.6
85.02901	6.3
86.09692	39.6
87.04442	1.6
87.05569	2.8
88.03977	2.0
89.03887	0.8
91.05463	5.8
93.07012	2.7
94.06533	2.2
95.08593	1.9
96.08137	3.8
97.02889	3.1
99.04403	0.9
101.07121	2.2
102.05505	1.9
103.05430	4.2
104.07080	1.6
106.06526	1.2
107.04931	2.6
107.08567	1.4
108.08104	3.4
109.02865	1.3
109.08878	0.9
110.07153	6.7
110.09641	1.6
112.07622	0.9
112.08695	1.0
113.07107	1.4
115.08669	0.9
117.03366	1.7
120.08088	70.0
121.08422	1.3
122.02759	1.0
122.09641	2.6
123.04407	3.7
124.11220	1.4
127.03928	1.9
127.08667	2.0
127.09839	1.0
129.06580	0.9
129.10229	10.5
130.04973	9.9
130.08620	1.2
131.04910	1.5
131.08150	2.7
133.06070	2.8
135.04395	12.6
136.07561	1.5
141.10217	0.7
141.82195	0.7
143.11777	1.8
145.02782	3.0
145.04944	1.2
147.07629	15.8
149.00549	2.5
149.05948	1.9
151.18231	0.7
153.05493	1.1
155.08141	2.3
156.07663	3.2
157.13313	1.5
159.07632	1.7
163.03877	13.7
166.07214	1.9
166.08620	37.8
167.01614	2.6
171.11169	1.1
173.09151	1.5
173.12830	3.2
177.05424	2.6
186.12317	1.7
187.10759	1.0
187.14487	1.1
192.17436	1.5
197.12811	1.5
201.08693	1.6
201.12341	1.5
203.10286	1.3
214.11819	3.0
216.09793	1.0
216.13422	0.8
218.11345	2.9
218.15164	0.8
220.16936	24.2
220.19080	1.3
230.07753	1.5
230.11429	1.0
234.10918	1.1
234.99002	1.0
238.17979	30.3
239.14856	1.4
239.18257	0.9
246.14423	2.4
248.12334	2.6
254.14937	1.7
256.06461	1.4
256.19040	98.1
257.19409	2.9
260.16043	6.3
268.16550	1.7
272.15952	1.3
276.25778	0.9
280.19098	1.5
284.05933	2.3
286.17560	1.0
292.15176	0.8
297.06006	2.4
298.20056	2.1
321.06232	1.8
329.24112	0.8
382.22202	3.1
400.23331	7.7
417.71512	1.0
418.24292	100.0
419.24554	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	417.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
54.31819	1.2
55.01880	3.2
55.05504	12.1
56.05029	4.2
57.03428	3.4
57.07063	1.8
60.04515	1.6
65.03931	4.0
67.05495	24.8
68.50557	1.3
69.03410	4.7
69.07055	13.2
70.02943	52.1
70.06582	32.1
70.35370	6.1
71.04990	3.2
71.06909	2.4
72.08138	10.0
74.02431	18.2
74.06060	1.5
78.04697	2.6
79.05472	18.8
80.05803	1.6
81.03400	3.0
81.07040	29.6
83.04967	2.0
83.08604	6.8
84.04492	4.8
84.08128	28.2
85.02918	8.2
86.09689	18.5
87.05577	88.1
88.03978	56.7
91.05476	22.5
92.05801	1.7
92.93427	1.6
93.07024	25.2
94.06565	2.8
95.04959	6.0
95.08585	19.6
96.08111	5.5
97.02898	2.6
97.06513	4.7
97.10155	3.5
98.02396	1.9
99.04442	2.2
99.08043	3.1
102.05524	2.1
103.05447	6.5
105.07001	14.4
106.04180	2.0
107.04922	9.3
107.07367	2.0
107.08577	18.5
108.08117	5.2
108.08817	1.4
109.06526	3.2
109.10149	13.0
110.07152	3.4
111.08051	4.1
115.05436	5.4
116.03464	9.7
116.07094	1.7
117.07013	6.5
118.04151	1.8
119.04955	2.5
119.08578	12.1
120.08091	25.4
120.11337	1.2
121.06483	2.9
121.10126	28.6
122.09686	3.1
123.04417	9.2
123.08048	4.2
123.11705	5.9
124.03899	2.3
124.05209	2.2
124.07531	1.7
125.05989	2.5
125.09597	2.4
129.10237	4.3
130.04977	2.5
130.08632	3.2
131.04932	3.7
131.08521	7.3
132.10220	1.6
133.06067	98.9
133.10101	17.1
135.08023	3.3
135.11662	12.9
136.07581	2.8
137.05946	2.7
137.09589	11.3
138.03033	1.6
139.07518	2.7
139.11136	2.6
140.07027	1.4
141.07011	1.6
143.08553	2.6
145.06461	10.8
145.10109	5.6
147.04405	2.3
147.11606	5.6
148.05148	3.0
149.09592	5.1
149.13284	2.2
150.12791	1.6
151.03906	1.5
151.11119	10.0
152.04634	3.1
153.09114	4.2
155.05998	1.9
157.10074	2.4
159.07954	1.8
159.09178	2.5
159.11687	1.5
161.09598	5.6
161.13268	1.5
163.07527	5.1
163.11212	2.4
165.09135	1.4
167.07018	100.0
168.07387	5.9
171.06508	1.9
171.11682	3.6
171.35721	1.3
173.05948	15.3
177.10222	2.8
181.04935	40.8
181.06491	2.4
182.05345	3.8
191.07011	16.3
195.06502	3.0
201.12558	1.8
203.17938	2.0
205.08456	2.4
213.16267	7.7
218.15466	2.6
220.16920	14.2
221.18924	1.9
222.18533	6.4
223.18721	1.5
231.17386	10.9
233.08084	5.0
235.09613	2.7
236.16470	1.5
238.17979	56.0
238.68068	8.9
239.18520	6.0
240.19603	17.7
241.08376	2.0
241.19887	3.2
244.68269	1.5
249.18457	54.5
250.18892	3.7
256.19077	4.1
259.68719	1.7
266.21185	1.6
267.19641	1.7
287.05426	3.8
292.22787	2.4
305.15988	1.6
318.20584	17.8
335.23233	4.9
335.70963	5.2
336.21777	20.6
336.71814	2.1
345.21695	8.7
353.24466	1.8
363.22723	66.5
364.20978	35.6
381.23819	13.1
381.31268	2.5
382.21912	8.0
387.14331	12.7
399.25024	15.0
399.32065	6.1
400.14441	1.6
408.22931	2.2
416.71777	2.0
417.15497	32.3
417.21832	4.5
417.71649	2.3
418.15656	5.6
418.24158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01854	1.4
55.05288	0.7
55.05503	6.0
56.05014	2.0
57.03408	1.1
58.06572	2.1
60.04500	0.9
61.02882	0.7
65.03927	1.4
65.10873	0.6
67.05496	4.3
68.53181	0.6
69.03415	3.6
69.07060	4.1
69.51617	4.6
69.52035	1.4
70.06583	24.1
71.04973	2.1
71.06908	0.7
72.08144	32.9
73.02912	0.9
73.04017	2.9
74.06049	2.4
76.02221	1.0
78.75957	0.6
79.05474	4.5
80.04979	0.8
81.03379	1.4
81.07040	7.6
82.06577	5.6
83.04946	1.9
83.08553	0.8
84.04485	4.4
84.08128	12.0
85.02887	6.7
85.06545	0.8
86.09689	25.3
87.04485	1.0
87.09990	0.7
88.03974	0.9
91.05473	5.7
92.05792	0.6
93.07029	3.0
94.06531	3.2
95.04940	2.2
95.08585	2.6
96.04526	0.7
96.08136	3.8
97.02871	1.9
98.06001	1.0
98.09664	1.0
99.04431	1.8
99.09207	0.9
102.05531	0.9
103.05449	1.1
105.07023	3.8
106.06498	0.8
107.04964	1.3
107.07320	0.8
107.08568	3.1
108.08084	2.8
109.02849	1.8
109.06506	0.7
109.08884	0.7
109.10140	1.6
110.06072	1.2
110.07138	4.4
110.09635	1.8
111.04450	1.2
112.07601	1.5
112.08723	1.0
113.07156	0.7
115.05447	5.8
115.08674	0.8
116.07104	0.9
117.05753	3.5
117.06998	2.1
118.06519	3.1
119.04905	3.2
119.08558	3.0
120.08086	10.0
121.02826	0.9
121.06488	1.4
121.08633	0.6
121.10117	1.5
122.09657	1.7
123.04403	1.8
123.08051	1.2
124.11175	0.9
125.06006	1.2
127.03899	2.6
127.08662	9.1
128.06174	0.7
128.07132	1.0
129.06998	0.9
129.10233	6.6
130.06503	51.3
131.07289	1.7
131.08540	1.6
132.08073	43.0
132.10187	2.5
133.10107	3.0
135.08029	2.3
136.07549	1.4
136.21045	0.7
137.06000	1.1
137.09579	0.9
138.33821	0.6
142.06506	8.0
143.07198	1.0
143.08246	1.4
143.11734	1.4
144.08066	28.3
145.05017	1.0
145.06444	1.6
145.07562	13.5
145.10068	1.6
146.11723	2.0
147.04387	8.0
147.11670	0.8
149.09579	1.2
151.03770	0.8
151.11189	1.5
153.01884	1.0
153.05386	1.5
156.08031	0.8
158.06114	0.9
158.08310	0.8
158.09573	1.0
159.09154	98.4
160.07382	4.0
160.09518	1.1
161.09621	1.6
164.07063	1.4
165.09033	0.9
166.05008	1.1
166.08583	0.8
167.07018	12.9
167.16055	0.6
169.08774	0.9
169.12241	0.7
170.05986	43.2
170.09639	2.2
171.06398	1.1
171.10315	1.4
172.11197	1.9
173.05951	2.1
181.04945	7.1
181.08801	1.4
182.08099	2.2
182.09641	2.7
183.14877	0.7
184.11168	4.2
185.13177	0.7
186.12750	29.2
187.07094	1.5
187.08652	23.1
187.12190	0.8
187.14815	0.8
190.15791	0.6
191.06923	1.0
195.11481	0.7
196.11182	10.4
198.12769	4.7
199.12259	3.2
201.10445	0.9
204.02934	0.9
206.08942	1.0
211.14288	1.5
212.10640	0.8
213.13841	18.9
218.15329	1.2
220.16924	9.2
222.03954	4.6
222.07658	0.7
222.18483	4.9
223.18758	0.8
224.10661	1.6
229.13379	0.7
231.16977	5.5
233.08105	0.9
236.05522	1.5
236.16364	1.8
238.17976	22.9
239.18694	4.0
240.19572	14.1
241.13336	30.9
241.19868	2.5
241.65948	0.9
244.18033	0.8
252.19597	1.1
255.15883	1.3
256.19016	4.3
258.15988	100.0
259.16220	2.3
269.09659	1.2
269.12723	8.7
272.15955	1.0
286.15454	47.2
287.05472	15.6
287.15771	1.1
288.05826	2.2
297.08749	1.5
311.06943	0.7
311.10278	1.1
313.21176	0.9
315.09671	0.8
325.08047	1.8
328.21152	0.8
329.63861	0.7
333.93631	0.7
335.71021	4.2
336.21677	9.1
336.71588	2.0
344.10211	1.1
357.10739	2.4
367.09213	4.2
384.23691	3.6
385.10220	5.9
387.14291	0.9
400.22336	11.5
416.58948	1.2
416.72357	1.2
416.92691	1.1
417.15787	3.8
417.24963	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	417.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03942	1.4
55.05500	10.9
57.03426	7.9
57.07056	5.6
60.23003	0.6
62.26881	0.5
65.03934	1.7
66.12845	0.5
67.05495	55.3
68.05828	0.6
69.07057	10.8
69.46690	5.9
71.04984	1.0
71.08633	2.9
74.37618	0.6
79.05479	16.9
80.06255	0.5
81.03408	1.7
81.07043	62.1
83.04978	0.8
83.08608	8.4
85.06537	1.9
85.10190	1.5
91.05466	11.8
93.07027	15.9
95.04958	2.3
95.08592	53.8
97.06523	4.2
97.10154	4.6
98.20790	1.3
98.98452	80.8
99.08080	3.4
105.07009	7.6
107.08571	10.7
109.06548	0.6
109.10140	25.9
110.10521	0.6
111.08077	2.3
111.11623	1.1
113.09632	1.4
116.99479	1.8
119.08569	7.1
121.10122	12.3
123.08060	1.5
123.11684	12.9
125.09574	0.7
127.11110	0.8
133.10120	8.3
135.11679	6.6
137.09605	2.0
137.13242	7.0
140.01028	0.6
141.12688	1.0
147.11664	6.8
149.13242	6.2
151.11162	0.6
151.14799	6.7
153.12671	0.8
155.01016	100.0
156.46030	0.5
161.13240	5.8
163.14815	5.8
165.16348	4.5
173.02130	1.3
175.14798	4.6
177.16376	1.5
179.14264	0.7
179.17917	1.8
181.15897	1.1
189.16321	2.4
193.15767	0.7
196.03760	0.9
203.17839	0.7
207.17345	0.9
217.19473	0.9
245.22603	22.9
246.22842	1.1
253.65070	0.6
263.23669	55.5
264.23956	1.3
299.20273	0.7
332.51178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3202
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
53.03925	1.6
55.01859	2.7
55.05499	11.4
57.07076	4.7
58.90868	1.0
59.04992	5.9
65.03927	1.2
65.27496	0.9
67.05492	15.4
69.03412	1.6
69.07056	9.1
70.77570	1.6
70.77968	1.9
71.04975	2.8
79.05478	14.4
81.06580	2.0
81.07043	32.2
83.04973	3.9
83.08627	2.4
85.06516	2.9
85.91933	1.0
87.04456	1.0
89.06023	0.9
91.05461	15.7
93.07030	43.3
95.04945	2.0
95.08592	54.1
97.06520	3.3
97.10163	1.8
99.04426	7.6
99.08054	1.1
99.91985	0.8
101.05992	6.8
105.07013	32.3
107.08574	64.5
108.08915	1.5
109.06520	3.0
109.10139	32.4
111.08090	1.0
113.09591	1.1
115.07578	1.3
117.06967	6.4
117.76299	1.3
119.08563	40.3
121.06518	4.4
121.10120	45.6
123.08060	1.3
123.11683	6.4
125.09620	2.1
127.07518	1.1
129.06982	1.0
130.07803	1.2
131.08554	13.0
133.10107	45.9
135.08066	5.6
135.11667	100.0
136.12003	1.8
137.09595	1.3
139.07538	1.5
143.08562	2.7
144.09299	2.1
145.10098	22.2
147.08005	1.4
147.11653	29.1
149.09604	2.7
149.13239	16.3
153.09047	2.5
157.10109	3.9
158.10973	1.1
159.11668	28.2
161.13231	15.4
163.11160	10.1
163.14822	2.9
170.29636	1.0
171.11681	2.1
173.13222	12.1
175.11200	3.0
175.14825	7.5
177.12706	32.8
177.16383	1.7
178.13194	1.1
179.14445	1.0
181.12175	12.8
185.13275	1.4
187.14778	16.8
189.12735	3.3
189.16360	15.3
191.14279	5.5
191.17953	4.0
193.12181	6.4
195.13773	55.2
199.14764	2.9
201.16350	32.2
202.16605	2.2
203.17903	18.6
203.19702	1.4
207.13773	15.6
207.17403	2.8
209.15335	9.3
213.16339	1.8
215.17987	8.0
217.19495	2.9
219.17386	9.2
221.15417	2.0
227.17876	1.5
233.18956	1.8
235.16908	1.3
275.20334	1.0
287.20035	1.6
289.21579	7.4
341.24799	1.0
379.29877	8.6
397.30960	46.4
398.31314	2.1
415.32031	27.8
416.32120	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	417.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.3
55.05510	5.3
56.05011	4.5
57.03419	3.7
59.04983	3.1
60.04506	1.8
60.05586	1.2
62.97610	1.1
67.05490	3.9
69.03407	3.5
69.07056	8.0
70.06583	54.1
70.98321	3.1
71.06900	2.1
72.08146	30.4
74.06054	4.9
79.05485	8.2
81.07043	14.8
82.06557	2.6
83.04967	2.7
84.04496	27.3
84.04970	0.8
84.08125	11.9
85.02900	6.2
86.06061	8.9
86.09692	100.0
87.05569	2.3
87.10023	2.7
88.03975	2.2
91.05486	5.2
93.07021	5.5
94.06561	1.3
95.04945	1.9
95.08598	15.3
96.04490	1.2
96.08112	1.3
97.02884	3.1
97.06525	1.5
98.05994	2.1
99.04440	1.6
99.08080	2.7
101.07096	1.4
102.05529	4.9
104.05296	2.0
104.07095	1.7
105.07019	8.8
107.04949	8.8
107.08575	3.6
109.02897	1.6
109.06475	7.1
109.10094	1.3
110.06031	5.0
110.07125	3.8
111.34081	1.2
112.08712	2.0
113.07060	1.1
114.05481	1.7
115.08676	1.8
116.07069	3.1
117.06982	1.5
119.08548	3.9
120.08086	7.1
121.06493	5.7
121.10127	1.8
123.07198	1.9
123.08051	25.6
124.08408	1.2
125.09637	1.3
127.03877	4.6
129.06963	1.7
129.10251	7.8
130.04991	6.2
130.08690	1.2
131.08536	1.7
131.11839	1.5
132.10162	1.6
133.06430	1.5
133.10104	3.7
135.08041	4.0
135.11674	1.7
136.07555	1.9
137.05916	1.6
137.09628	1.4
138.09105	3.6
139.07532	1.8
141.06593	1.5
141.09132	2.6
141.10210	1.6
143.11794	1.4
145.04977	2.1
145.10089	1.8
147.07866	1.6
147.11575	1.1
151.07516	12.1
152.05815	1.0
152.07057	3.5
153.12668	1.3
155.08163	1.1
157.13377	7.0
159.07693	2.2
159.09119	1.0
161.09550	3.2
161.13144	1.1
163.11090	1.3
171.11662	1.9
172.25275	1.1
173.09186	3.0
175.11182	3.6
178.12218	1.4
179.10594	1.7
180.13770	3.7
183.14912	1.7
185.12862	5.5
187.07104	2.3
187.10857	1.6
188.10667	1.5
189.12459	10.3
191.14261	3.5
192.13889	1.3
193.12219	3.5
199.11095	2.4
201.08620	1.8
201.12245	5.4
201.13983	1.2
206.11737	3.2
206.15364	1.6
208.16954	8.8
209.15427	2.7
210.14896	3.3
215.13837	2.2
216.13791	2.0
217.12158	3.3
217.15306	1.2
220.16872	2.7
224.12817	3.0
224.16267	1.5
226.17993	3.1
228.13377	1.8
229.11751	4.4
229.15495	6.0
231.16983	2.7
233.15009	5.9
234.14891	4.9
235.13264	11.2
238.17850	4.0
242.13831	10.2
242.17581	1.9
245.12721	1.6
252.15868	6.3
253.14305	10.2
255.05124	1.3
255.18190	1.9
256.19095	1.5
270.16977	34.0
271.17401	1.3
286.14142	2.4
286.17410	1.8
288.18005	43.9
298.21262	2.3
318.17148	1.5
327.20367	1.5
336.20993	3.3
354.18906	3.8
389.26276	1.2
399.21240	3.9
400.19528	3.6
417.22208	73.7
418.22635	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	414.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66249	0.1
55.05490	0.4
56.05007	0.4
60.04509	0.3
69.07038	0.2
69.34019	0.3
69.34422	1.7
70.06583	6.6
71.06908	0.3
71.82262	0.1
72.08144	1.3
74.06048	0.3
81.03416	0.2
84.04491	1.0
84.08134	2.3
85.02892	0.3
86.06030	0.2
86.09224	0.2
86.09693	2.9
91.05448	0.3
93.07034	0.2
94.06545	1.3
95.07331	0.2
98.05998	0.2
98.20779	0.4
102.05481	0.2
110.06001	0.3
110.07148	1.2
112.08723	0.3
116.07019	0.3
116.14973	0.2
120.08061	0.3
122.05156	0.3
122.06010	4.3
123.06795	11.5
124.07615	1.1
127.08603	0.4
129.06581	0.2
129.10245	1.5
130.08623	0.3
134.06003	0.5
136.06511	0.3
136.07553	3.9
137.08305	0.6
140.07042	2.3
148.07542	1.0
149.08347	0.2
150.09132	1.6
155.08038	0.2
162.09039	0.2
163.03848	0.2
164.10660	0.6
166.35361	0.2
182.38103	0.2
185.09137	0.2
192.13753	0.3
201.12398	0.2
206.15376	7.1
207.15590	0.3
216.13719	0.8
226.15269	0.2
229.15486	0.3
234.14861	47.3
235.15167	2.4
252.15907	100.0
253.16260	4.6
336.11917	0.2
337.52454	0.2
414.21152	7.7
415.21426	0.5
435.56500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01863	1.2
55.05502	24.2
56.05026	6.8
57.03184	0.7
57.03423	4.5
57.67772	0.7
60.04514	4.5
61.02911	1.6
67.05489	1.5
68.05009	1.1
69.03426	6.0
69.07047	2.6
70.06583	85.8
71.01353	0.8
71.04976	3.9
71.06908	2.8
72.08144	16.3
73.02905	7.1
74.06064	6.8
79.05483	1.0
81.03408	1.8
81.07035	1.3
82.06560	0.8
83.06087	1.3
83.08610	61.8
84.04495	12.9
84.08135	21.0
84.08903	0.9
85.02888	9.7
86.06052	1.1
86.09692	17.7
87.04435	0.8
87.05573	2.1
88.03970	2.3
91.05461	3.3
93.04544	1.0
93.07027	1.2
95.04951	0.7
95.06099	0.9
96.08131	1.2
97.02879	7.1
97.07642	0.7
97.42532	0.7
98.06034	3.2
101.07114	2.1
101.09644	51.3
102.05532	5.6
104.05350	1.0
105.07037	1.1
106.05016	0.8
107.08575	0.8
109.02887	1.3
109.10149	1.7
110.06033	1.1
110.07152	14.9
111.04440	0.7
111.89621	0.8
112.07597	3.0
112.08701	2.8
113.07131	0.8
114.05524	1.2
115.03909	4.1
115.08660	1.4
116.06315	1.2
116.07075	10.5
119.03500	1.4
119.04905	1.9
119.08620	1.0
119.10681	23.3
120.06579	10.0
120.08054	3.8
121.02919	0.9
121.06487	1.0
122.07099	1.0
123.08084	0.7
124.07573	0.9
125.07082	1.5
126.05505	2.5
127.03911	3.7
129.06601	1.1
129.10217	12.6
130.04994	3.5
130.06520	0.8
130.08644	1.2
132.22592	0.7
133.05042	1.3
133.06013	0.7
135.04430	1.0
136.06168	100.0
136.07521	8.7
137.02313	3.0
137.04533	1.7
137.05788	1.0
137.07928	1.7
140.07047	1.0
141.06544	1.6
141.10220	1.0
144.06490	0.7
145.02933	1.2
145.04965	2.1
145.12158	0.8
146.05927	1.0
147.04373	3.0
147.07626	1.1
147.11279	2.0
150.07745	5.2
150.11617	0.7
152.10121	0.9
153.10219	1.2
155.08145	1.9
156.07649	2.1
157.09706	1.3
159.07629	0.8
162.04095	59.1
163.03915	1.5
163.05963	0.9
164.07043	0.8
167.09253	0.9
169.09673	1.1
169.13293	4.0
171.11275	4.4
173.09245	1.8
173.12886	1.0
175.12062	0.8
183.15005	1.0
187.10826	1.0
188.07108	0.7
197.12811	4.7
199.10722	6.4
201.06743	1.0
201.12289	0.7
203.10272	0.9
204.10092	0.8
205.10010	0.7
211.14484	1.1
213.08784	0.9
213.12320	2.1
217.08243	0.8
217.11783	3.2
220.17004	1.9
221.17313	1.8
225.09891	1.9
226.15488	1.0
227.10208	1.5
229.15480	1.0
233.09474	0.9
233.15320	1.4
237.12241	1.2
238.18007	3.3
239.18443	1.5
251.10432	0.7
252.16151	0.9
256.19049	1.4
257.19370	1.2
259.07819	0.9
261.03958	1.0
266.15082	1.3
268.10352	0.8
281.09900	55.7
282.10205	2.3
298.17667	3.5
314.17096	1.9
395.18790	1.2
413.23978	9.0
413.28522	8.6
413.74588	1.1
414.21472	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	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.02199	0.3
55.05499	3.5
56.05029	1.6
57.03426	0.9
60.04525	0.6
61.01143	0.3
64.96734	0.3
67.05499	0.6
69.03410	1.1
70.06583	16.9
71.04987	0.5
71.06908	0.7
72.08147	3.4
73.02904	1.0
74.06071	3.7
81.03401	0.4
81.07043	0.3
83.08608	7.3
84.04495	2.2
84.08134	4.4
85.02876	1.5
86.09693	4.1
88.03980	0.3
89.60554	0.3
91.05470	0.9
96.08105	0.4
97.02877	1.1
98.06059	0.4
101.09641	5.9
102.05526	1.7
104.05292	0.3
110.07179	2.4
112.07600	1.2
112.08713	0.3
113.07868	0.4
115.03890	0.7
115.08678	0.3
116.07061	2.0
119.03535	1.9
119.04919	0.4
119.10674	2.7
120.06569	8.8
120.08085	1.0
125.07135	0.3
127.03899	0.4
127.08687	0.3
127.11167	0.4
129.06566	0.4
129.10210	2.4
130.04984	0.9
136.06165	100.0
137.02313	1.5
137.04559	1.8
137.06616	0.7
137.07919	0.5
147.04398	0.4
147.11246	0.3
162.04089	61.0
163.04550	0.3
169.04681	0.2
169.13358	0.7
171.11295	0.8
173.09166	0.6
195.11284	0.3
197.12866	1.0
199.10757	1.3
217.11871	0.6
220.16969	0.9
221.17316	0.9
230.01498	0.4
238.17957	1.2
239.18353	1.0
256.19080	0.7
257.19333	0.7
261.03870	0.3
268.10345	1.4
281.09885	56.7
282.10147	1.1
294.14404	0.3
298.17471	0.6
395.18948	0.4
412.27905	2.1
413.23831	1.1
413.28592	5.2
427.26398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.6
67.17570	7.6
69.03414	16.1
70.06577	100.0
71.62653	10.3
72.08134	18.3
73.02918	7.7
73.95280	7.8
81.03402	9.0
84.04505	14.1
84.08118	13.4
85.02885	46.3
90.89754	8.1
97.02876	15.0
104.07096	11.2
110.07149	33.1
110.59870	7.6
112.07605	13.4
116.07050	14.2
122.21606	8.5
124.70921	8.4
127.03875	12.5
129.10216	13.8
136.06171	23.9
136.07576	18.3
138.05519	9.6
143.01834	12.3
145.04916	10.7
161.02948	13.4
162.04099	19.8
163.03932	13.6
173.03015	11.2
199.10767	9.1
218.14693	9.3
220.16966	11.7
245.05106	28.6
273.08194	9.8
281.09836	25.9
327.32480	9.0
338.17734	9.3
353.06931	15.1
371.08209	21.9
412.27975	47.9
413.08313	63.3
413.14093	67.2
413.18314	36.8
413.28287	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2228
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
51.02353	0.2
53.02130	0.2
53.03943	0.3
55.01867	0.3
55.05504	4.4
55.18209	0.2
56.05026	0.7
57.03428	0.2
57.05808	0.3
57.07063	0.3
58.06591	0.5
60.04519	0.5
61.01144	0.4
61.02895	0.2
61.15795	0.2
64.03493	0.2
66.80331	0.2
67.05505	1.3
67.66591	0.2
68.05032	0.3
69.03428	1.4
69.07053	1.3
70.06583	7.3
71.04987	0.4
71.06912	0.3
71.10005	0.2
71.77359	0.3
72.08144	36.8
73.02906	0.4
73.08469	0.5
74.06089	0.5
76.02218	0.2
79.05481	1.2
80.05019	0.4
81.03409	0.4
81.07043	1.6
82.06564	0.5
83.04996	0.2
83.08612	0.5
84.04496	1.3
84.08131	2.4
85.02886	2.2
85.06525	0.3
86.06095	0.2
86.09695	4.6
87.00814	0.3
87.08083	0.3
88.03957	0.5
91.05463	1.7
92.05795	0.2
93.07039	1.7
94.06556	0.6
95.04982	0.6
95.08596	1.3
96.08127	0.8
97.02879	1.1
97.06513	0.4
97.10181	0.3
99.04432	0.4
100.07607	0.2
102.05559	0.3
103.05454	3.0
104.05260	0.2
105.01827	0.9
105.07018	1.1
107.04916	0.4
107.07340	0.4
107.08577	0.7
108.08092	0.8
109.02853	0.6
109.06504	0.3
109.10117	0.5
110.07164	0.7
110.09682	0.4
112.08736	0.3
116.07070	0.2
117.07054	0.3
119.08555	0.5
120.08087	100.0
121.06483	0.5
121.08435	2.8
121.10110	0.4
122.09663	0.5
123.04440	0.3
123.08086	0.3
124.08476	0.2
124.11234	0.2
127.03928	1.0
129.10214	1.2
130.04938	0.3
130.06520	0.3
131.04900	0.4
131.08553	0.6
132.08105	0.3
132.10106	0.3
133.06136	0.3
133.08861	0.2
133.10127	0.6
134.09592	0.3
135.11711	0.4
136.07562	0.6
137.05943	0.9
142.03146	0.2
145.04947	0.5
145.10081	0.4
147.04385	0.3
147.07829	0.2
147.11592	0.5
155.08264	0.2
157.09967	0.2
159.09189	0.3
163.11116	0.3
166.08606	4.3
166.09898	0.3
179.07040	0.2
203.14162	0.2
213.07545	0.2
219.14894	40.3
220.15137	1.5
220.17104	1.3
221.17206	0.3
222.18507	1.7
223.18805	0.3
236.16414	0.3
238.17953	3.4
238.67892	0.2
239.18564	1.2
239.20761	0.2
239.69022	0.3
240.19571	4.5
241.19865	0.9
244.17929	0.4
247.14392	17.0
247.18048	1.0
247.68672	0.4
248.14714	0.7
254.17415	0.4
255.18172	0.8
256.19022	0.5
265.15515	2.4
267.18365	0.2
272.18497	0.9
273.15952	0.2
273.18820	0.3
307.63754	0.6
319.20407	0.2
328.21133	0.7
344.67426	0.3
345.17581	0.2
353.67700	0.2
354.17709	0.2
394.20306	0.3
395.16287	0.3
403.20956	0.3
411.68024	1.1
411.91434	0.3
412.21106	1.9
412.69388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.3
57.06792	2.9
57.07067	42.7
59.04985	2.5
69.07055	3.2
69.89529	1.5
70.11217	6.5
71.08620	31.7
73.06541	4.1
77.65921	1.6
79.05465	2.6
81.07041	4.0
83.08599	2.8
85.10165	28.8
87.04449	2.5
89.06018	100.0
91.05460	3.0
93.07051	2.6
95.04944	2.6
95.08593	1.9
97.10149	4.1
99.11709	5.5
105.07033	4.5
106.07333	3.2
107.07040	5.7
107.08569	2.2
108.90770	1.6
113.13312	2.4
117.09097	1.6
119.08522	3.9
130.08620	5.4
131.08540	1.8
133.08582	54.7
147.11655	2.4
148.12047	1.8
151.09604	4.7
155.17943	3.8
166.91277	1.3
177.11165	16.2
185.21060	1.7
195.12257	6.2
199.20514	2.2
221.15486	2.2
222.15640	3.2
229.43286	1.6
239.14853	35.0
243.23090	7.9
287.25900	4.6
303.22955	1.4
393.32047	51.4
394.32361	2.9
410.27554	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	411.2501
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.39883	2.0
53.44245	1.8
55.05498	6.0
57.03423	5.8
57.07069	41.3
62.78203	1.8
67.05495	9.6
69.07062	7.2
69.79375	10.7
69.79778	4.4
71.08620	24.1
74.11620	1.9
81.07048	18.2
81.83431	1.7
82.78304	1.8
83.08610	8.2
85.10164	12.0
95.08607	19.6
97.10143	5.7
98.67059	1.8
98.98453	49.7
109.10128	12.7
111.11685	2.4
116.99586	2.7
119.16871	2.3
123.11709	4.8
126.95155	1.8
137.13281	3.8
146.81371	2.0
155.01019	100.0
173.02113	4.7
199.36850	2.0
239.23657	22.9
247.70038	2.2
285.58609	1.9
313.27304	38.1
314.27600	2.5
358.35779	2.0
393.23962	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	410.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01851	3.8
55.05508	7.3
56.05030	12.2
57.03420	3.0
60.04505	8.9
60.05627	1.5
61.01137	3.2
61.02891	1.6
65.03934	1.1
67.05493	11.8
69.03413	7.4
69.07061	5.0
70.02949	1.8
70.06580	100.0
71.04978	23.1
71.06905	4.7
71.22151	1.8
72.07755	2.0
72.08141	33.0
73.02878	2.8
73.08488	2.0
74.00659	1.7
74.06052	9.7
76.03966	1.7
79.05490	7.8
81.03407	6.3
81.07047	7.0
82.06555	1.1
83.04975	1.0
83.06080	3.3
83.08552	1.2
84.04491	26.1
84.08128	45.5
85.02437	1.6
85.02892	16.8
85.03992	1.4
85.06520	1.9
85.08463	2.2
86.06035	2.1
86.09691	35.3
87.00818	2.3
87.05575	5.3
87.10011	2.1
88.03976	9.0
90.05549	2.3
91.04900	2.3
91.05466	47.4
92.05805	2.5
93.07025	4.8
95.04957	2.3
95.06063	1.6
95.08572	1.5
96.04486	1.5
97.02862	4.7
97.06503	2.3
97.07566	1.0
98.06036	2.0
99.04436	2.1
101.07133	2.2
102.05530	8.7
103.05438	3.6
104.05307	5.8
104.07073	1.4
105.01846	2.8
105.05618	1.2
105.07004	2.0
106.06537	1.2
107.04935	3.1
107.08569	3.0
109.02832	2.8
109.06471	4.2
109.10134	11.7
110.07144	16.4
110.09631	1.2
111.04472	1.0
112.08750	5.4
113.07150	2.5
114.05489	1.0
115.05039	1.3
115.08669	4.6
116.01643	2.5
116.07076	6.5
118.08601	1.5
119.04897	4.7
120.08083	46.1
121.06493	2.4
121.08423	19.1
121.10105	6.0
121.10814	1.1
122.06018	1.9
123.04406	3.4
123.08060	2.6
123.11643	1.8
124.03967	1.4
124.07532	1.7
125.05992	7.9
125.06846	1.3
126.05515	2.8
127.03930	6.6
127.07569	2.5
127.08631	2.0
127.11177	18.1
129.06633	1.6
129.10228	26.0
130.04979	4.3
130.06520	1.8
130.08623	3.3
130.10591	1.2
131.08514	2.3
133.05998	1.2
134.06000	8.4
135.04375	2.9
135.08046	1.2
136.03935	1.1
136.07556	29.9
137.05949	11.4
137.07875	4.8
138.09013	1.4
139.03822	1.6
139.11221	1.2
140.08150	1.8
141.05431	3.0
141.06473	1.9
141.10185	1.4
142.03229	1.0
144.02853	1.3
145.02769	1.1
145.04933	2.6
145.06003	1.6
145.12202	14.2
147.04395	3.9
147.07617	2.3
147.11307	2.5
148.06044	3.0
149.09589	17.6
151.11131	1.5
152.07022	1.7
153.05457	17.6
153.06589	2.4
153.10184	2.9
155.08124	2.2
156.07669	2.6
157.10849	1.5
159.07631	4.9
159.09128	1.1
160.07680	1.0
161.09311	1.6
162.03876	1.1
162.05443	3.3
163.03845	4.8
163.08626	4.3
163.13274	10.5
166.08612	1.9
167.08112	2.2
167.10629	3.5
168.04767	36.4
168.64165	1.0
169.05017	2.6
169.13281	1.1
170.05905	1.3
171.07628	1.6
173.09253	1.2
175.09592	1.1
175.11885	1.9
177.05443	1.0
177.09087	11.8
182.08073	2.0
183.14919	3.0
185.09174	1.7
187.07138	2.9
188.07326	2.1
195.10095	21.9
197.12892	1.2
199.07156	1.2
200.13950	1.2
201.10445	2.9
201.12308	2.8
208.06917	1.1
209.09149	1.3
211.14328	1.3
213.11154	60.8
214.11467	1.9
217.08145	1.3
223.10736	4.1
224.11191	5.2
226.11761	1.7
227.10213	1.2
229.10005	3.0
231.04733	1.0
234.96826	1.7
235.14288	3.3
240.13324	1.3
245.07532	1.1
247.10725	1.0
252.97900	2.9
260.98349	1.4
261.08859	2.3
263.05167	2.4
278.99393	1.4
304.05722	1.1
353.67715	1.5
367.23087	1.4
409.73016	2.5
410.17688	1.6
410.22809	2.1
410.72229	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	410.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01851	3.8
55.05508	7.3
56.05030	12.2
57.03420	3.0
60.04505	8.9
60.05627	1.5
61.01137	3.2
61.02891	1.6
65.03934	1.1
67.05493	11.8
69.03413	7.4
69.07061	5.0
70.02949	1.8
70.06580	100.0
71.04978	23.1
71.06905	4.7
71.22151	1.8
72.07755	2.0
72.08141	33.0
73.02878	2.8
73.08488	2.0
74.00659	1.7
74.06052	9.7
76.03966	1.7
79.05490	7.8
81.03407	6.3
81.07047	7.0
82.06555	1.1
83.04975	1.0
83.06080	3.3
83.08552	1.2
84.04491	26.1
84.08128	45.5
85.02437	1.6
85.02892	16.8
85.03992	1.4
85.06520	1.9
85.08463	2.2
86.06035	2.1
86.09691	35.3
87.00818	2.3
87.05575	5.3
87.10011	2.1
88.03976	9.0
90.05549	2.3
91.04900	2.3
91.05466	47.4
92.05805	2.5
93.07025	4.8
95.04957	2.3
95.06063	1.6
95.08572	1.5
96.04486	1.5
97.02862	4.7
97.06503	2.3
97.07566	1.0
98.06036	2.0
99.04436	2.1
101.07133	2.2
102.05530	8.7
103.05438	3.6
104.05307	5.8
104.07073	1.4
105.01846	2.8
105.05618	1.2
105.07004	2.0
106.06537	1.2
107.04935	3.1
107.08569	3.0
109.02832	2.8
109.06471	4.2
109.10134	11.7
110.07144	16.4
110.09631	1.2
111.04472	1.0
112.08750	5.4
113.07150	2.5
114.05489	1.0
115.05039	1.3
115.08669	4.6
116.01643	2.5
116.07076	6.5
118.08601	1.5
119.04897	4.7
120.08083	46.1
121.06493	2.4
121.08423	19.1
121.10105	6.0
121.10814	1.1
122.06018	1.9
123.04406	3.4
123.08060	2.6
123.11643	1.8
124.03967	1.4
124.07532	1.7
125.05992	7.9
125.06846	1.3
126.05515	2.8
127.03930	6.6
127.07569	2.5
127.08631	2.0
127.11177	18.1
129.06633	1.6
129.10228	26.0
130.04979	4.3
130.06520	1.8
130.08623	3.3
130.10591	1.2
131.08514	2.3
133.05998	1.2
134.06000	8.4
135.04375	2.9
135.08046	1.2
136.03935	1.1
136.07556	29.9
137.05949	11.4
137.07875	4.8
138.09013	1.4
139.03822	1.6
139.11221	1.2
140.08150	1.8
141.05431	3.0
141.06473	1.9
141.10185	1.4
142.03229	1.0
144.02853	1.3
145.02769	1.1
145.04933	2.6
145.06003	1.6
145.12202	14.2
147.04395	3.9
147.07617	2.3
147.11307	2.5
148.06044	3.0
149.09589	17.6
151.11131	1.5
152.07022	1.7
153.05457	17.6
153.06589	2.4
153.10184	2.9
155.08124	2.2
156.07669	2.6
157.10849	1.5
159.07631	4.9
159.09128	1.1
160.07680	1.0
161.09311	1.6
162.03876	1.1
162.05443	3.3
163.03845	4.8
163.08626	4.3
163.13274	10.5
166.08612	1.9
167.08112	2.2
167.10629	3.5
168.04767	36.4
168.64165	1.0
169.05017	2.6
169.13281	1.1
170.05905	1.3
171.07628	1.6
173.09253	1.2
175.09592	1.1
175.11885	1.9
177.05443	1.0
177.09087	11.8
182.08073	2.0
183.14919	3.0
185.09174	1.7
187.07138	2.9
188.07326	2.1
195.10095	21.9
197.12892	1.2
199.07156	1.2
200.13950	1.2
201.10445	2.9
201.12308	2.8
208.06917	1.1
209.09149	1.3
211.14328	1.3
213.11154	60.8
214.11467	1.9
217.08145	1.3
223.10736	4.1
224.11191	5.2
226.11761	1.7
227.10213	1.2
229.10005	3.0
231.04733	1.0
234.96826	1.7
235.14288	3.3
240.13324	1.3
245.07532	1.1
247.10725	1.0
252.97900	2.9
260.98349	1.4
261.08859	2.3
263.05167	2.4
278.99393	1.4
304.05722	1.1
353.67715	1.5
367.23087	1.4
409.73016	2.5
410.17688	1.6
410.22809	2.1
410.72229	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	410.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05479	0.3
56.05026	1.4
57.03412	0.9
58.99579	0.5
60.04515	0.8
61.01148	0.4
64.74827	0.3
67.05487	0.7
67.57797	0.3
69.03418	0.7
69.68731	2.2
70.06580	7.3
71.04982	0.7
71.06930	0.6
72.08145	2.8
72.93766	0.4
73.08453	0.3
74.02450	0.4
74.06066	1.0
75.05550	0.3
76.02216	0.4
76.04027	0.5
79.05494	0.3
83.06089	0.7
84.04494	4.4
84.08131	4.9
84.19915	0.4
85.02892	1.3
85.04015	0.6
85.06106	0.3
85.06532	6.8
85.08482	0.3
86.06030	0.5
86.09692	2.8
86.99067	0.5
87.05579	7.6
88.02184	0.4
88.03976	1.1
89.03911	1.6
91.05466	8.1
92.05833	0.4
93.07072	0.3
96.04461	0.4
97.02858	0.8
99.02662	0.3
99.05576	1.4
101.04218	0.7
102.05526	1.0
103.02415	0.4
103.07587	0.5
104.05328	0.6
107.04915	1.6
110.07132	2.7
112.03981	0.4
112.08701	0.7
115.05037	10.6
115.05735	0.6
115.08647	0.5
116.01659	2.9
116.07060	0.4
117.03430	1.6
118.06511	0.5
119.01873	0.9
119.04924	8.7
120.08088	2.0
120.64279	0.3
121.03423	0.5
121.06503	0.4
121.08391	0.9
123.04428	0.5
123.05533	0.6
125.03450	0.4
126.05401	0.3
127.04108	0.5
127.05032	4.5
129.06564	1.0
129.10199	2.2
130.04997	2.4
130.08667	0.4
131.01871	1.0
132.95796	0.3
133.03424	1.1
133.06085	1.6
134.06061	0.4
135.04393	3.9
136.07556	100.0
137.07921	2.8
143.01872	0.5
144.01120	1.2
144.06653	0.3
145.02765	2.4
145.04887	0.3
145.06068	0.6
147.04291	1.5
147.07610	0.5
147.11256	0.4
148.07520	1.8
149.02893	0.5
154.06091	0.5
155.01898	0.5
156.07655	0.9
160.07890	0.5
161.02898	0.9
161.06305	1.2
162.02158	5.6
162.03371	0.3
163.02550	0.7
163.03879	12.6
164.04247	0.8
165.05544	0.3
171.11394	0.3
172.07132	3.7
173.02911	0.4
175.11841	0.3
176.07109	0.4
177.05438	0.4
178.08932	1.1
180.06462	0.6
182.08099	0.4
187.04507	2.4
193.09694	12.8
194.08099	0.5
194.09917	0.4
196.98880	0.4
203.02287	0.3
203.04031	1.2
205.09695	1.2
213.12346	0.5
216.95839	0.5
221.02959	2.0
221.04817	0.4
221.09166	4.4
222.07631	0.9
224.98412	0.6
232.04849	0.3
233.09122	1.4
234.96863	4.6
234.99026	0.2
239.04044	0.8
239.10216	8.4
240.10350	0.4
246.07954	1.4
248.94881	0.7
250.11928	0.6
251.98250	1.3
252.97928	11.8
257.05069	0.9
257.98291	0.4
260.10245	0.5
260.98373	1.8
264.08972	3.6
275.99356	0.5
276.09967	0.7
277.05542	0.8
278.11380	1.0
278.99435	3.2
281.11621	4.0
283.06601	0.5
289.13007	1.2
290.11374	0.6
293.11017	0.3
294.11050	0.6
295.06613	6.5
295.10004	0.4
296.12399	2.5
304.97348	0.8
307.13968	19.7
308.14240	1.1
308.83694	0.3
312.01743	0.4
313.07620	0.4
335.13309	5.3
350.97910	2.1
351.07211	0.5
356.38412	0.3
364.16138	0.6
392.10770	0.4
392.15448	2.5
409.72437	0.5
410.11948	0.9
410.16281	1.7
410.22391	1.1
411.11804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3822
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
54.62588	3.6
55.05499	15.0
57.07061	10.4
67.05484	18.4
69.07061	36.9
71.40699	7.1
71.41039	5.8
79.05479	9.5
80.34887	4.2
81.07042	69.6
83.08617	19.4
91.05443	6.2
93.07022	22.2
95.08589	66.3
98.56428	3.7
105.06990	20.4
107.08579	31.2
109.10157	43.6
111.11685	8.1
119.08615	20.0
121.10136	28.7
123.11679	23.8
131.08527	4.8
133.10062	22.6
135.11690	22.1
135.19324	3.8
137.13245	13.0
145.10092	16.3
147.11684	16.2
149.13219	15.3
151.07532	5.4
159.11679	20.8
161.13268	11.7
163.14832	10.6
173.13278	12.5
175.14813	15.8
177.16415	7.6
187.14743	11.4
189.16376	13.1
191.17836	6.6
195.12247	7.4
201.16312	8.9
203.17897	9.7
205.19466	4.5
215.17943	7.0
217.19432	9.6
229.19511	7.9
231.21114	9.9
243.21208	4.2
257.22571	5.6
259.24127	5.0
271.24234	7.6
285.25739	8.7
299.27280	4.9
367.33960	7.1
409.38239	100.0
410.38638	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	410.057
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
53.03933	1.0
55.01878	2.3
57.03434	1.9
61.02913	1.2
65.03937	1.5
65.81616	0.4
69.03416	3.9
70.06582	2.3
70.90849	1.2
71.04966	0.7
72.08146	1.5
73.02911	1.9
79.05492	0.6
81.03410	3.2
84.04504	1.0
84.08133	1.6
85.02895	16.1
86.09691	2.1
88.04018	0.4
91.05470	100.0
92.05799	2.5
97.02891	1.3
99.04427	2.1
102.05576	0.4
104.05006	0.7
104.34243	0.5
106.06540	1.4
109.02878	2.1
114.05538	0.8
116.00303	0.4
116.04949	0.8
117.05728	1.4
120.08099	1.2
125.10824	0.4
127.03908	6.5
129.10242	0.5
134.06001	17.9
135.02632	1.1
135.04427	0.5
136.07550	2.4
137.07925	0.7
145.04965	4.4
152.07045	2.7
163.03914	2.1
163.05988	0.7
166.07260	1.4
168.04770	86.3
169.05080	2.3
191.81013	0.6
234.96805	1.0
245.51199	0.4
248.73811	0.5
249.15968	0.8
252.97862	2.0
278.99622	0.8
337.42505	0.4
347.10046	0.4
350.97882	0.4
377.71902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	2.3
53.03937	2.4
55.05505	15.2
57.07063	5.1
59.04989	2.0
67.05495	28.0
69.07059	24.3
69.46494	10.0
69.46928	10.1
71.04986	14.7
71.08594	4.7
73.65735	1.9
74.09694	2.0
79.05480	19.0
81.07045	100.0
82.07412	1.8
83.08614	13.8
85.06514	4.2
88.23789	2.0
89.06023	6.0
91.05464	21.6
93.07030	87.1
95.04947	8.3
95.08588	89.1
97.06509	2.2
97.10139	9.0
103.05446	2.3
105.07018	63.2
107.08579	70.0
108.08905	3.0
109.06525	9.5
109.10142	56.7
111.08058	14.2
111.11721	4.3
113.09631	7.0
114.42858	1.8
117.07022	7.0
119.08562	87.9
121.10126	71.5
121.10998	3.7
122.10505	2.8
123.08045	2.8
123.11687	34.1
125.09646	4.4
131.08548	19.2
133.08591	2.8
133.10100	36.1
135.11673	34.9
137.09608	7.3
137.13245	9.7
143.08553	4.5
145.10107	29.3
147.11665	37.6
149.09622	3.7
149.13243	70.3
150.13553	2.1
150.28993	1.9
151.11171	4.6
151.14841	4.2
155.01044	6.6
157.10149	11.9
158.10875	2.5
159.11678	34.6
161.13239	37.3
163.14792	24.6
171.11649	6.4
173.13255	24.0
175.14767	23.7
177.12744	5.2
177.16371	7.0
179.14273	2.8
185.13261	7.5
187.14772	20.0
189.16333	27.3
191.17902	12.0
195.12271	6.4
196.12614	5.2
199.14761	8.8
201.16327	15.9
203.17911	18.2
205.15865	3.1
213.16382	10.6
215.17944	12.2
217.19472	32.1
218.19949	1.9
227.17825	11.5
229.19579	9.7
231.21074	14.5
241.19531	7.6
243.21089	4.8
253.19601	2.6
255.21046	7.3
257.22626	9.1
259.24167	15.7
267.21109	3.6
269.22614	4.4
274.07480	1.9
281.22552	2.8
283.24374	2.8
285.22238	2.0
295.24115	3.7
313.25323	2.1
325.28946	3.9
349.28818	2.0
351.30426	17.7
391.33554	26.5
392.34116	3.1
393.24350	2.6
409.29465	4.1
409.34674	81.7
410.35037	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	409.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85218	2.6
55.05497	11.6
57.06792	5.8
57.07068	100.0
67.05485	7.9
69.07053	14.4
71.08620	77.7
71.51080	4.8
79.05462	7.1
80.98761	2.8
81.07060	14.6
83.08602	9.6
85.10168	59.6
86.09693	3.4
89.06040	6.6
90.06339	3.3
91.05470	7.7
93.07034	12.3
95.08596	21.1
99.11709	6.6
105.07021	15.2
107.08601	15.0
107.09219	2.8
109.10159	11.1
113.13282	2.9
117.07023	6.3
119.08576	14.2
121.10116	13.1
123.08060	4.2
123.11717	4.9
131.08560	6.8
133.10150	5.7
135.07990	6.2
135.11586	3.3
137.05946	7.7
137.13306	3.8
145.10115	10.5
147.08044	4.4
147.11691	4.4
149.05968	5.8
149.09564	3.5
149.13286	3.7
151.07527	44.8
153.09085	5.2
159.11691	4.7
162.57790	2.6
163.07550	21.1
165.09076	37.8
173.09621	3.1
173.13281	4.9
177.09085	26.8
177.12605	3.6
179.10643	15.8
181.08717	2.9
187.11211	5.4
191.10628	14.6
195.10229	3.7
195.12245	9.3
196.12532	6.2
201.12709	4.9
205.12245	10.4
209.11650	3.1
215.14244	5.7
219.13815	7.0
229.15933	3.3
231.07100	3.2
233.15370	5.7
237.14931	7.4
239.86307	3.0
247.17015	5.8
251.16493	5.2
261.18491	5.7
265.17932	4.9
279.19730	3.2
409.37955	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48636	2.0
53.03933	4.2
55.05499	19.9
56.82890	1.9
57.07056	8.2
59.05008	2.4
65.03934	5.3
66.51069	2.0
67.05497	19.4
69.03425	10.3
69.07060	10.7
70.08405	4.5
70.08821	6.8
78.44305	2.0
79.05488	23.5
80.51015	1.9
81.03408	3.4
81.07042	42.0
83.04954	5.7
83.08607	6.4
85.06517	4.4
85.58446	1.9
91.05467	39.8
93.07030	48.3
95.04958	57.5
95.08600	30.9
97.06535	11.5
98.98432	2.8
103.05421	3.8
105.06304	4.8
105.07015	100.0
107.08588	29.9
109.06515	14.7
109.10148	11.4
111.08073	4.9
112.11264	2.6
115.05437	4.5
117.06987	18.0
119.04905	2.2
119.08566	67.2
121.06490	18.9
121.10136	24.1
123.08043	19.0
123.11710	1.9
125.05937	2.5
128.06197	5.8
129.06987	9.9
130.07764	3.3
131.08549	27.2
133.06480	4.1
133.10117	24.4
135.08049	14.6
135.11641	5.0
137.09593	8.9
141.06920	4.4
142.07774	11.7
143.08556	19.6
144.09277	6.4
145.10114	42.0
147.08054	15.1
147.11665	40.9
149.09612	7.8
151.07513	18.4
153.09177	2.5
155.01071	5.7
155.08490	10.7
156.09299	5.5
157.10103	27.9
158.10825	3.2
159.08018	7.0
159.11670	15.8
161.09557	10.1
161.13275	3.6
163.11128	6.1
165.06987	2.8
165.09081	26.6
167.08505	4.1
168.09299	2.6
169.10052	10.3
170.10844	2.9
171.11702	11.2
173.09598	6.8
173.13266	9.0
175.11157	28.4
175.14792	3.2
177.09174	3.6
179.08488	3.8
181.10112	4.2
181.12209	4.8
182.10980	3.9
183.11682	11.7
185.13200	6.2
187.11163	6.8
187.14772	4.6
189.12749	5.3
191.14281	2.3
193.10056	4.1
195.11673	4.0
196.12448	3.6
197.13246	5.0
199.11159	3.2
199.14769	2.1
201.12701	9.2
201.16496	2.9
203.14323	13.9
207.11777	3.2
207.13795	7.1
208.12460	2.5
209.13278	4.9
209.15384	2.4
211.14792	6.7
213.12718	2.9
215.14189	3.0
219.13803	4.2
221.13400	3.1
221.15327	77.0
222.15685	4.0
223.14810	5.1
225.12781	1.9
227.14268	2.3
229.15868	5.8
231.13773	3.1
233.15401	3.4
234.16055	13.5
237.22162	2.2
240.19633	4.4
253.15981	4.7
255.17162	2.3
263.16217	3.1
286.19446	3.5
287.20074	7.9
299.20090	2.8
300.20770	5.4
311.25748	2.6
314.95059	2.0
329.21100	4.8
371.63235	2.0
391.26163	6.4
394.10339	2.8
404.45401	2.0
408.12030	2.1
409.13083	20.2
409.17947	3.9
409.27188	49.8
410.13849	10.8
427.13867	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	409.2731
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03933	4.3
55.05502	19.7
57.07074	10.5
59.04976	2.5
61.07111	1.8
65.03925	2.5
67.05503	20.1
69.03411	7.4
69.07064	10.0
69.47884	2.2
69.48204	17.2
71.08607	3.4
79.05478	22.9
81.07047	33.0
83.04964	6.8
83.08586	1.7
85.06523	4.7
85.10185	2.8
87.98528	1.6
89.06030	3.6
91.05468	37.3
93.07030	49.6
93.29015	1.9
95.04381	2.7
95.04963	48.6
95.08589	30.9
97.06522	7.2
97.10163	2.6
98.61794	1.7
103.05439	3.8
105.07017	100.0
107.08577	23.2
109.06510	10.5
109.10137	7.5
111.04449	1.7
111.08073	3.3
115.05438	4.1
117.07027	11.6
119.04918	3.1
119.08565	63.9
120.09416	2.5
121.06488	14.8
121.10132	13.6
123.08051	19.7
128.06200	5.6
129.06967	7.3
130.07765	3.6
131.08546	20.2
133.06450	6.0
133.10135	20.6
135.08043	14.3
135.11682	5.1
137.09586	7.9
141.06963	3.3
142.07773	11.0
143.08536	16.7
144.09335	4.9
145.06482	3.3
145.10109	32.7
146.10788	2.3
147.08041	15.4
147.11670	39.7
149.09636	10.1
149.13196	1.6
151.07544	16.0
153.09048	3.4
154.07828	1.9
155.08540	8.4
156.09309	5.0
157.10103	19.3
158.10918	2.5
159.08018	7.1
159.11690	13.6
161.09622	6.2
161.13211	4.9
163.11122	3.9
165.09094	31.6
168.09334	3.1
169.10088	11.2
170.10873	3.2
171.11664	8.2
173.09581	5.3
173.13290	5.3
175.09749	3.3
175.11174	34.2
177.09074	3.6
178.09892	2.8
179.08626	2.2
181.10120	6.0
181.12201	3.1
182.10826	2.3
183.11665	8.7
184.12119	1.9
185.09558	2.8
185.13214	4.0
187.11128	5.4
187.14780	3.7
189.12715	7.6
193.10097	2.6
195.11682	4.9
197.13240	6.0
199.11166	3.6
199.14838	3.3
201.12770	9.7
201.16356	4.0
203.14304	15.1
207.11845	2.4
207.13689	8.4
209.13252	4.9
209.15338	4.7
211.14720	6.0
213.12752	3.7
215.14214	2.0
219.11824	2.6
219.13829	4.5
221.13176	5.0
221.15324	71.5
222.15709	2.6
225.12520	1.8
225.16479	3.2
229.15881	4.8
231.13811	3.6
233.15387	3.4
234.16127	21.2
239.14368	2.2
253.15944	4.4
269.19135	2.1
286.19186	3.9
287.20160	6.0
300.20776	6.1
311.25854	2.1
329.21088	7.5
335.19870	2.5
391.26379	6.0
392.31516	3.8
393.32181	2.1
409.27243	55.2
409.35065	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53584	4.2
53.03946	4.0
55.01859	4.2
55.05504	23.5
57.07051	7.8
59.04988	7.9
59.98778	3.7
65.80019	4.0
67.05491	17.1
69.07066	11.7
70.06581	5.7
71.08601	6.2
71.71606	6.9
79.05483	16.7
81.07052	48.4
83.04992	8.0
83.08614	5.9
91.05455	38.3
93.07027	50.9
94.07346	5.2
95.04961	55.4
95.08593	35.6
97.06537	5.1
105.07022	100.0
107.08563	29.2
109.06485	11.0
109.10124	10.9
113.86228	3.7
115.05465	6.5
117.07004	18.6
119.04964	3.9
119.08570	66.0
121.06482	21.9
121.10129	20.3
123.08054	20.4
123.11693	5.6
128.06158	4.6
129.07002	8.4
130.07741	5.5
131.08566	28.6
133.06497	6.9
133.10110	19.0
135.08038	15.5
137.09596	9.9
142.07709	18.8
143.08537	15.8
144.09334	6.6
145.10118	35.9
147.08072	16.7
147.11676	47.4
149.09590	10.7
151.07545	14.3
155.01089	4.6
155.08569	9.8
157.10123	29.7
159.08073	9.7
159.11679	18.4
161.09605	9.4
161.13249	5.1
165.09119	33.0
168.09315	4.8
169.10110	9.3
171.11685	10.7
173.09633	7.7
173.13280	8.1
175.11166	30.9
177.09111	6.2
183.11613	9.7
183.42255	4.1
185.13280	5.3
195.11687	4.9
197.13252	6.1
201.12802	8.5
203.14301	14.9
207.13809	6.3
211.14772	5.3
221.15327	74.2
229.15915	4.9
233.15251	5.0
234.16074	21.2
270.42963	4.1
287.19992	11.6
300.20654	5.8
301.57458	3.7
329.20996	7.7
381.15436	4.1
391.26163	7.6
409.27075	48.3
409.31900	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	408.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38622	0.4
64.96783	0.3
70.23283	1.9
75.69867	0.4
82.99943	0.4
98.21448	0.5
101.00863	0.7
101.71212	0.4
113.26302	0.4
119.01910	6.3
130.41246	0.5
137.02951	1.9
156.92754	0.4
158.99789	0.5
161.66379	0.4
177.00935	11.5
178.01045	0.8
179.14461	0.3
195.02061	0.5
201.00896	0.9
217.04062	2.9
219.01984	23.6
220.02019	1.3
225.00789	3.1
243.01947	7.1
243.04245	0.6
244.02159	0.9
254.15985	0.4
257.94138	0.4
260.00113	0.4
261.03030	100.0
262.03162	8.3
263.03198	0.9
272.09872	0.4
277.01096	0.5
278.01297	0.5
282.99911	1.2
284.00015	0.8
284.04663	3.4
301.00922	2.8
302.01154	1.4
303.00781	0.9
361.27615	0.5
367.01810	2.3
385.03113	19.3
386.03290	2.1
403.04187	24.3
404.04330	2.6
408.04846	1.0
426.05826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12831	0.2
55.01860	0.4
55.05504	0.3
56.05031	1.2
60.04509	0.6
60.11080	0.2
61.01141	0.3
69.03411	0.4
69.07059	0.4
70.02936	0.3
70.06583	8.7
71.04984	0.6
71.06086	0.2
71.06838	0.5
72.04501	0.3
72.08147	4.7
73.40687	0.2
74.06073	1.2
79.05497	0.2
83.06082	0.3
84.04493	2.7
84.08138	4.2
85.02891	1.0
85.08447	0.2
86.09698	3.5
87.05573	0.6
88.03985	3.0
91.05466	3.9
93.07024	1.2
95.04935	0.3
95.06107	0.2
96.04463	0.9
97.02898	0.4
97.18048	0.2
98.02415	1.2
98.06046	0.5
99.05571	2.8
101.07134	0.4
102.05527	0.8
103.05449	2.3
104.05304	1.2
105.07028	0.3
110.07147	1.3
112.08708	0.6
113.07141	1.0
114.05532	2.2
115.04984	0.2
115.08674	0.5
115.68661	0.2
116.07089	1.8
116.74046	0.2
119.04943	0.3
120.08092	100.0
121.08426	1.9
124.03938	0.9
129.10231	2.6
130.04976	0.6
130.08679	0.4
133.09654	0.3
134.05995	0.5
136.07565	3.3
141.06575	2.9
142.03201	0.4
142.04956	0.5
143.11784	0.2
145.02843	0.3
145.04924	0.3
145.05991	0.3
147.04465	0.3
147.11235	0.5
148.06042	0.4
149.09663	0.3
155.08191	0.3
159.07640	10.5
160.04306	0.2
161.07990	0.3
161.09273	0.5
163.03891	0.3
166.08556	0.3
168.04796	2.3
169.06088	0.3
170.04463	0.2
175.11929	0.4
182.69135	0.2
187.07118	5.8
191.11801	0.6
201.10413	0.4
202.14435	0.6
213.11183	0.4
219.11311	0.7
221.09253	0.3
223.10757	23.0
224.11182	0.4
234.99026	0.7
247.04582	0.3
247.16496	2.6
288.13419	0.9
289.11707	1.8
294.69540	0.2
303.05225	0.4
304.12888	0.5
310.18115	0.2
316.12985	0.4
334.13892	1.7
371.57214	0.2
391.15817	0.4
400.21902	0.4
408.74326	0.3
409.16510	0.4
409.21872	0.4
409.71967	0.3
414.26846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.05501	10.6
57.07068	8.6
67.05502	18.1
69.07059	42.5
71.08623	3.2
71.72060	2.8
79.05489	11.8
81.07044	72.8
83.08605	11.0
84.98394	1.1
89.06010	4.2
91.05489	7.4
93.07029	23.1
95.04952	1.3
95.08595	55.3
97.10156	5.2
105.07011	19.3
107.08576	30.3
109.10143	36.6
110.10485	1.9
111.11711	4.3
113.00008	9.9
119.08566	26.8
121.09312	2.4
121.10130	29.6
123.11686	20.3
131.08556	8.6
133.08557	2.0
133.10121	19.3
135.11674	17.6
137.13228	11.0
143.08524	4.1
143.09601	1.1
145.10117	15.8
147.11673	16.7
149.13240	13.8
151.40797	1.2
157.10107	7.4
159.11664	21.6
160.12350	1.2
161.13229	14.5
163.14801	6.6
169.02583	10.6
169.10126	2.5
171.11661	6.8
173.13268	14.0
175.14807	13.4
177.11322	1.3
177.16383	9.3
183.11729	2.8
185.13319	6.1
187.14813	13.3
189.16341	10.6
191.17923	5.2
195.12326	3.7
197.13258	1.9
199.14793	5.6
201.16360	7.6
203.17891	4.8
205.19484	2.4
211.14679	1.6
213.16310	6.3
215.17946	7.9
217.19505	4.3
227.17928	7.6
228.18600	1.7
229.19489	9.8
231.21107	2.1
239.17812	1.3
241.19490	4.8
243.21130	4.7
245.22424	1.4
247.27696	1.2
255.21147	6.7
257.22583	6.3
267.21011	1.8
269.22650	4.3
271.24271	4.5
283.24091	6.0
295.24084	1.9
297.25626	3.1
299.27335	2.6
311.27103	2.2
323.27448	2.0
325.28882	7.3
325.49683	1.3
337.28989	2.0
341.30051	1.2
342.99442	1.3
351.30414	3.6
365.32260	2.1
407.36676	100.0
408.37097	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	407.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.05503	14.7
57.07074	7.5
67.05494	26.1
69.07059	48.6
70.07390	1.5
70.13414	3.4
70.13830	5.5
71.08623	1.7
79.05476	14.3
79.25537	1.4
81.07045	85.7
83.08599	14.7
85.96847	1.3
89.06013	2.6
91.05455	8.0
93.07028	25.1
95.04951	2.6
95.08589	60.7
96.19496	1.3
97.10147	7.5
98.21362	1.9
105.07001	25.4
107.08578	35.9
109.10136	46.8
111.11716	3.0
113.00016	4.2
117.07013	1.7
119.08558	30.1
121.10122	38.3
123.11679	25.3
125.13330	1.7
131.08514	10.4
133.10106	20.6
135.11662	21.7
137.13239	11.0
143.08546	6.4
144.09280	2.2
145.10103	19.9
147.11658	20.7
149.13223	14.6
151.14806	1.8
156.09322	2.5
157.10074	8.3
158.10832	1.8
159.11673	24.7
161.13254	17.1
163.14761	8.0
169.02570	5.5
169.10115	2.7
171.11635	9.9
172.12439	1.9
173.13225	20.0
175.14793	11.9
177.16345	7.4
183.11635	2.5
185.13231	9.8
187.14735	12.6
189.16353	7.7
191.18040	3.0
195.12329	2.0
197.13266	2.8
199.14763	8.6
201.16350	11.2
203.17886	7.7
211.14740	2.1
213.16360	6.3
215.17986	11.4
217.19412	4.0
225.16399	1.9
227.17908	9.8
229.19514	10.7
231.21049	1.9
241.19476	3.9
243.21039	5.2
245.22563	1.7
255.20985	5.8
257.22617	6.4
269.22614	5.4
271.24103	3.0
281.22455	1.7
283.24237	6.8
285.25607	2.9
295.24478	1.7
297.25681	4.0
299.27319	2.4
300.42905	1.4
309.25766	3.5
323.27252	1.8
325.28891	4.0
337.28757	3.4
351.30396	5.0
365.31854	2.8
407.36646	100.0
408.37073	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	407.3665
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03919	1.9
55.05500	14.5
57.07073	9.4
65.03912	1.1
66.31733	1.2
67.05491	19.9
69.07057	43.4
69.63107	3.5
69.63538	6.3
71.08610	2.6
71.19917	1.3
74.89472	1.1
79.05478	14.0
81.07042	71.3
82.07378	1.4
83.08613	13.3
85.10155	2.4
89.06016	4.0
91.05480	9.0
91.32219	1.2
93.07027	28.4
95.04975	1.3
95.07981	2.7
95.08592	56.5
97.10141	7.7
105.07010	26.4
107.08574	35.6
109.06533	2.0
109.10139	44.8
110.32887	1.2
111.11685	4.3
112.99991	2.8
117.07021	3.4
119.07722	1.2
119.08560	27.2
121.09324	2.5
121.10120	28.0
123.11689	20.9
131.08574	9.0
133.10107	17.8
135.07426	1.2
135.11673	21.6
137.13213	9.9
142.07762	1.4
143.08508	4.2
144.09329	2.5
145.10104	20.0
147.11661	18.3
149.13229	16.3
151.14833	2.5
156.31059	1.3
157.10112	7.0
159.11661	22.7
161.13261	15.7
163.14812	7.4
169.02634	6.6
169.10078	2.1
171.11685	8.8
173.13266	16.8
175.14813	11.9
177.16338	9.5
183.11664	2.1
185.13205	8.9
187.14809	10.9
189.16293	9.9
191.17946	4.6
195.12141	3.1
196.81837	1.5
197.13206	3.4
199.14764	9.4
201.16356	9.6
203.17871	6.8
205.19571	1.3
211.14769	3.9
213.16313	7.3
215.17874	8.4
217.19513	4.0
220.17044	1.4
225.16414	2.8
227.17847	8.5
229.19446	10.2
231.21034	4.3
239.17863	2.2
241.19521	5.8
243.21100	5.5
245.22624	2.6
253.19484	1.9
255.21037	5.0
257.22495	6.1
267.21011	1.6
269.22552	4.9
271.24051	1.8
283.24161	7.2
285.25595	3.0
297.25763	3.8
299.27292	1.8
309.25623	2.6
311.27283	3.1
323.27182	3.8
325.28793	6.4
337.28839	3.8
338.29404	1.7
351.30508	4.9
371.02390	1.8
407.36649	100.0
408.37036	9.4
414.74890	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.7
56.05016	4.0
57.03426	1.3
57.07060	1.0
60.04518	2.7
60.36461	0.9
67.05490	3.3
68.52007	1.0
69.03415	13.2
69.07051	9.6
69.76477	6.7
70.06577	26.1
72.08140	9.1
79.05478	4.1
81.07063	5.2
83.04959	2.1
83.08607	4.2
84.04488	8.2
84.08128	37.9
85.02881	5.8
85.06523	2.3
85.08458	4.0
86.09692	26.2
87.05596	1.6
87.10034	1.2
88.03958	1.6
91.05460	7.5
93.07030	4.1
95.08588	10.4
97.02846	1.8
101.10799	1.2
102.05524	1.7
103.05450	2.2
104.05365	1.4
105.07005	11.1
107.08575	10.4
109.06531	2.0
109.10149	12.0
110.07172	5.9
116.01672	1.2
117.06996	2.8
119.04900	1.3
119.08557	40.8
120.08090	15.8
120.08902	0.8
121.06516	1.2
121.10125	8.5
123.08040	1.4
123.11724	2.7
125.09603	4.6
127.03928	1.9
129.10214	15.9
130.04958	1.9
130.08672	1.1
131.08519	6.4
132.10155	5.8
133.10103	42.6
135.08032	4.0
135.10806	1.1
135.11681	7.0
136.07561	11.0
137.09601	4.0
143.08539	2.7
144.09335	1.5
145.05014	1.6
145.10072	5.3
147.07671	2.5
147.11670	10.3
149.09550	1.2
149.13249	5.8
151.14867	2.6
153.09062	1.5
156.07687	1.2
158.10927	3.1
160.12471	2.0
161.09363	1.2
163.14781	1.7
171.26366	1.1
173.13271	12.2
175.14793	100.0
176.15205	3.5
177.05444	2.0
191.14273	38.9
193.15833	5.1
209.15312	11.5
217.13724	1.5
219.11264	1.3
220.16837	2.0
225.29109	1.2
238.18010	1.4
247.10803	1.5
252.17473	1.2
259.11081	2.8
279.16812	1.1
352.26984	1.1
353.19440	1.5
370.27704	1.8
388.28665	4.2
406.25336	2.4
406.30145	2.9
406.75632	1.3
407.14197	1.4
407.26578	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	407.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02149	4.2
55.05507	38.0
57.06789	5.5
57.07066	67.6
59.96198	4.2
67.05482	17.0
67.05848	4.5
69.07059	81.4
69.96766	32.3
71.08617	52.9
79.05474	27.0
81.07053	72.4
81.08415	5.8
83.04986	4.9
83.08611	55.0
85.10176	23.5
89.06017	17.2
91.05466	10.4
93.07014	30.7
95.04940	6.1
95.08589	59.8
96.39797	4.5
97.06512	9.2
97.10178	36.9
98.20790	5.0
99.04409	14.8
105.07004	22.0
107.08566	43.2
109.06500	27.5
109.10133	52.2
111.04417	26.1
111.11682	13.7
112.99956	10.8
119.08549	17.6
121.06480	5.5
121.10147	40.1
123.08064	14.6
123.11671	20.2
125.05978	68.9
125.09541	5.0
125.13234	5.7
131.08556	7.8
133.10092	19.3
135.11676	15.2
137.05960	100.0
137.09613	16.8
137.13243	8.4
139.07521	11.0
141.05438	20.8
145.10165	7.1
147.11661	13.7
149.02229	6.2
149.09550	7.1
149.13234	14.3
151.07530	23.3
151.11128	10.2
157.10245	5.7
159.11650	6.1
161.09613	9.7
161.13245	9.1
163.11143	9.6
163.14830	7.5
165.09113	31.1
165.12656	7.6
167.10660	11.5
169.02623	12.0
175.11220	9.5
175.14725	6.1
179.10664	38.7
179.14250	5.1
181.12175	19.8
183.10220	7.8
189.16162	7.0
193.12228	25.1
195.12282	14.4
197.11705	19.4
207.13857	24.8
209.15340	6.5
211.13277	10.3
221.15282	23.0
221.19011	5.0
225.14787	6.6
235.16882	25.5
235.20502	6.0
237.18515	10.5
238.17979	12.4
244.83557	5.0
249.18443	37.0
253.17961	7.0
263.19971	22.6
265.21469	8.9
267.19470	20.0
277.21579	21.4
281.21082	18.0
291.23114	22.0
295.22574	12.8
305.24701	15.8
309.24240	7.4
319.26245	18.8
333.27875	20.8
337.27402	9.4
351.28854	7.5
361.34897	5.8
389.34055	73.4
407.29242	12.4
407.35242	74.8
408.35889	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	405.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01873	0.7
55.05502	10.2
56.05029	8.2
57.05813	1.3
57.07073	1.2
57.39501	0.5
58.06583	0.7
60.04516	12.4
60.05645	1.0
61.01134	3.5
67.05501	1.0
68.05014	1.2
69.03413	1.2
69.04560	0.8
69.07052	2.7
70.02944	2.0
70.06583	48.7
71.04967	0.4
71.06916	2.2
71.71814	0.9
72.04510	0.6
72.08146	100.0
73.08469	2.3
74.06075	5.9
79.05485	2.1
81.03394	1.2
81.07034	1.3
82.06577	1.1
83.04978	1.5
83.06098	1.8
84.04494	14.7
84.08131	30.3
85.02883	2.2
85.04028	0.6
85.04838	0.8
85.06512	0.6
85.08459	1.7
86.06052	0.6
86.09695	66.5
87.04462	0.9
87.05576	10.2
87.10020	1.5
88.03975	4.0
88.07607	0.5
91.05462	3.5
93.07030	2.5
95.04944	1.8
95.06067	1.1
95.08578	2.6
96.08087	0.9
97.02852	0.8
97.06524	1.0
97.07632	0.6
98.06025	1.0
98.09664	0.8
99.04456	1.2
99.05573	1.5
101.07118	2.1
101.10739	0.7
102.05523	4.9
103.05429	0.9
104.05311	7.4
105.06994	1.5
106.04945	1.2
107.04938	2.0
107.08561	0.6
109.06494	1.0
110.07146	10.7
110.09676	7.5
111.07470	0.9
111.10011	0.5
112.08729	3.0
112.11219	0.5
113.07099	1.3
113.12604	0.4
114.09147	3.1
115.08647	1.7
116.07054	2.0
117.03355	0.9
119.04903	2.5
119.08540	0.6
120.05276	0.6
120.06606	1.1
120.08090	22.6
121.06503	0.8
121.08429	1.9
121.10081	1.5
122.02706	1.2
122.05996	0.5
123.08077	0.7
124.07618	0.5
126.05473	0.7
127.03889	1.2
127.04984	0.8
127.08636	0.7
128.10706	3.5
129.06752	0.6
129.10229	14.2
130.04982	2.9
130.06419	1.1
130.08630	4.8
132.08049	0.7
133.06096	0.8
133.10118	0.8
134.04506	0.5
135.04332	0.6
136.07570	6.6
137.05997	0.5
137.09558	0.7
138.09068	0.6
139.04930	0.5
139.08563	0.6
139.11151	2.0
140.08192	0.7
141.10179	1.3
143.08496	0.8
143.11720	1.7
144.06509	1.0
145.02753	1.6
145.05981	0.7
145.10072	1.1
146.06978	0.5
147.04366	1.0
147.07660	1.0
147.11249	3.8
148.06030	3.0
149.06029	0.7
151.08629	0.7
153.05382	1.2
155.08148	0.7
155.10506	0.9
155.11766	18.2
156.07632	1.8
157.08012	0.6
157.09724	0.6
157.12204	0.8
158.10010	3.5
159.07729	1.1
159.09175	1.0
159.11266	15.1
161.09264	1.5
161.12831	0.7
162.09380	0.7
163.11082	0.8
169.09755	0.7
169.13370	0.9
170.05867	0.6
171.11305	0.7
173.12842	31.4
175.10756	11.1
175.11920	0.4
177.05432	3.2
179.10461	0.6
181.09726	0.8
181.27153	0.5
185.12851	0.7
185.16496	1.2
186.09058	1.6
187.10764	17.6
187.14308	1.5
188.07005	1.1
191.10121	1.2
195.11398	0.5
199.08878	1.0
199.13391	0.6
201.12312	24.3
202.12691	0.7
203.12120	18.5
204.12334	0.7
205.11816	15.1
208.06812	0.5
213.08759	0.9
214.08844	1.0
215.13831	0.9
219.11465	1.0
219.13379	10.7
220.13753	0.7
221.11676	0.5
223.10684	1.3
225.14586	0.5
225.16878	0.5
226.15268	0.5
231.11578	16.9
232.11774	0.6
235.15222	0.5
238.23738	0.5
240.13353	0.5
241.12883	0.8
243.11032	0.8
243.15840	0.5
249.11308	0.8
255.10765	1.0
255.16924	2.5
257.19379	0.7
259.10513	0.7
267.12061	1.9
272.13608	0.6
282.17899	0.9
285.15939	0.7
300.19189	7.4
302.99307	0.6
306.14670	2.0
321.16306	0.7
324.15945	0.7
330.18307	1.5
334.68747	1.6
337.24094	0.5
356.19022	0.8
369.73080	0.5
387.21902	1.4
388.13651	0.8
404.72241	2.3
405.13037	0.7
405.21237	10.7
405.34668	0.7
405.73563	0.7
406.10715	0.6
406.21115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.4
56.05038	4.7
57.05806	1.5
58.06594	1.0
60.04517	16.8
61.01141	1.0
63.50893	0.6
68.05013	1.1
69.03424	1.8
69.07060	6.5
70.02948	2.3
70.06583	46.0
71.06921	1.5
72.08146	100.0
73.08488	1.8
74.02431	0.9
74.06066	7.8
76.02214	1.0
79.05495	1.0
81.03409	0.9
81.07008	1.0
82.06551	1.0
82.23379	0.6
83.04984	1.2
83.06093	1.2
84.04492	10.7
84.04953	1.0
84.08131	16.9
85.02881	2.9
85.08454	0.7
86.06052	2.2
86.09694	81.2
87.05577	8.7
87.10013	2.8
88.03977	2.9
90.05528	0.7
91.05459	2.0
93.07049	1.4
95.04958	1.6
95.06109	0.9
95.08591	1.5
96.04472	0.8
96.08121	1.3
97.02888	1.3
98.06081	0.9
98.20780	1.7
99.04446	0.9
99.05522	0.9
100.07614	0.6
101.07124	1.7
102.05542	4.5
103.05424	0.7
104.05321	2.1
104.07104	0.8
105.06535	0.7
106.05011	1.3
107.04943	2.0
107.08568	1.0
109.02853	0.9
109.06509	0.7
109.10130	0.9
110.06014	1.0
110.07150	10.3
110.09691	1.3
111.04447	0.6
111.09132	0.7
112.08701	2.4
113.07113	0.8
114.09151	2.5
115.05013	0.8
115.08686	2.7
116.07063	3.4
117.03377	1.1
119.04913	1.5
119.08544	0.7
120.06605	0.8
120.08089	8.8
121.10153	1.5
122.02711	2.1
122.06012	0.7
122.06899	0.6
124.07570	0.8
125.05959	0.8
125.07108	0.9
127.03963	0.9
127.04975	0.8
127.08676	1.2
128.10710	5.6
129.10229	8.7
130.04985	1.9
130.06503	3.9
130.08522	0.8
132.08072	1.1
132.10115	1.0
133.06046	0.8
135.04460	0.8
136.07568	4.1
136.08485	0.8
138.06538	0.6
139.08661	0.7
139.11136	1.8
140.08128	0.8
141.10178	1.2
143.01895	0.7
143.11775	1.7
145.02820	2.6
145.09840	0.7
147.04362	2.2
147.07684	1.3
147.11331	0.7
148.06056	1.2
153.06635	0.8
155.08122	0.9
155.11775	1.7
156.07664	1.6
157.07542	0.9
157.12175	0.8
158.09726	0.9
159.07924	0.9
159.09175	3.2
159.11267	14.1
163.03822	1.9
164.04234	1.2
167.07037	0.8
169.09753	0.8
169.13313	0.7
170.05952	1.4
173.12839	42.1
174.13191	0.8
177.05507	3.8
177.10124	0.8
181.06149	0.8
183.11237	2.6
185.07054	0.8
185.09207	1.3
185.16502	0.7
187.08893	1.0
187.10759	14.8
187.14375	1.4
188.06972	1.0
189.08865	1.0
197.05518	1.4
198.05701	0.7
201.12308	28.0
203.06735	1.1
203.10553	1.0
203.13791	1.2
205.11815	30.7
208.06876	0.9
213.08821	0.8
215.13858	1.3
216.06616	0.6
219.13374	4.4
226.05331	0.7
231.11609	0.7
232.99144	0.7
233.14899	1.2
255.16972	2.0
257.19348	1.1
258.12177	1.1
267.12085	1.6
275.14627	0.6
282.18140	7.0
290.11398	0.7
292.14914	2.1
300.19159	7.5
314.20441	0.7
361.14447	1.5
362.18964	1.1
369.20981	0.8
387.22318	1.8
405.13107	2.3
405.17267	1.8
405.22858	7.5
405.73383	7.1
406.10693	1.0
406.23907	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	405.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01866	0.9
55.05507	7.1
56.05027	12.2
57.03416	0.8
57.05819	0.6
57.07076	2.6
58.06588	0.8
60.04515	5.8
61.01134	6.1
63.00721	0.6
67.05492	1.5
68.49173	0.6
69.03419	1.6
69.04539	0.6
69.07050	2.6
69.54027	5.9
70.02938	1.7
70.06583	34.2
71.04987	0.9
71.06915	1.9
72.08146	100.0
73.08479	1.8
74.06058	4.5
75.02705	1.0
76.02235	1.2
79.05479	2.5
81.07035	1.7
82.06563	1.3
83.04965	2.0
83.06101	1.6
84.03979	0.6
84.04499	14.1
84.08135	34.0
85.02908	2.9
85.04063	0.8
85.04850	0.7
85.06544	1.2
85.08443	1.4
86.06067	0.6
86.09697	36.0
87.05578	5.1
87.10036	2.4
88.03968	3.8
90.05536	0.7
91.05479	3.1
93.07039	4.4
95.04945	1.4
95.06058	1.0
95.08620	3.2
96.08107	0.6
97.02859	1.9
97.06510	0.9
98.06018	1.2
99.05541	1.0
101.07116	1.2
101.10724	0.8
102.05560	3.0
103.05430	1.0
104.05315	16.0
104.07135	0.7
105.01839	0.7
105.07002	1.8
107.04961	1.8
107.08542	0.9
109.02846	0.9
109.06540	0.9
110.02359	0.7
110.06015	0.7
110.07162	9.0
110.09669	13.7
111.07462	0.8
111.09208	0.7
112.08713	1.9
113.07096	1.1
115.08663	1.1
116.07028	1.2
117.03367	0.8
119.04926	1.4
119.08490	0.7
120.05273	0.7
120.06690	1.1
120.08096	29.9
121.06452	1.0
121.08403	1.6
121.10095	2.0
122.02703	3.0
122.06048	0.7
122.07120	0.7
123.04454	0.7
124.07562	0.7
124.11124	0.6
125.06004	0.7
126.05464	0.7
127.05008	1.3
127.08663	1.3
128.10683	1.1
129.10226	15.6
130.04970	2.2
130.08617	9.4
130.10628	0.6
132.08017	0.8
133.10051	0.7
136.07581	6.1
137.05954	0.8
139.11142	3.1
141.10155	1.0
143.08543	1.0
144.06531	1.7
145.02805	2.1
145.04964	0.8
147.04330	0.9
147.07581	0.8
147.11255	7.3
148.06033	1.0
149.05954	0.8
151.07492	0.8
154.08595	2.6
155.11774	36.9
156.07686	1.2
157.12209	2.1
158.10002	8.2
159.07678	1.0
159.09151	0.9
159.11276	3.9
161.09251	1.9
162.09290	0.7
163.03860	1.0
163.09589	0.8
163.11205	0.6
169.09763	0.8
169.13333	1.1
173.09015	0.8
173.12839	12.3
175.10750	23.7
176.11011	0.6
177.05472	3.3
186.09087	2.4
187.07172	0.7
187.10793	6.9
188.11053	0.6
195.11101	0.9
197.12766	0.7
201.12326	8.3
203.12112	40.9
205.11858	5.8
207.06549	0.7
208.06697	1.0
214.08777	0.8
215.13907	0.7
219.13268	3.1
222.03836	1.0
231.11580	35.6
232.11797	0.8
234.14781	1.1
240.13277	0.8
252.16014	1.4
300.19189	3.4
301.10608	0.7
302.99454	0.7
306.14514	2.4
322.61252	0.7
330.18512	3.3
334.68710	0.8
359.14853	0.8
387.22214	1.9
404.71423	0.8
405.12909	0.9
405.21033	22.6
406.20950	0.9
406.80002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.4
55.05498	9.9
56.05025	11.3
57.03428	3.7
58.06625	1.8
58.99572	2.1
60.04517	13.5
61.01141	3.6
61.02920	2.5
64.94002	1.8
67.05490	17.0
69.03418	11.6
69.07062	11.9
70.02949	2.9
70.06580	100.0
70.45946	5.1
71.04974	5.5
71.06925	5.0
72.08147	37.8
72.08524	3.5
73.02896	3.2
73.08479	3.7
74.06085	8.8
76.02235	5.9
79.05484	23.1
81.03408	5.8
81.07053	12.8
82.06564	2.6
83.04974	36.8
83.06092	3.8
83.08611	2.4
84.04485	31.1
84.08134	55.0
85.02888	18.4
85.08457	3.3
86.00628	2.4
86.09692	72.5
86.99083	3.2
87.00822	5.6
87.05594	3.0
87.10027	6.2
88.03987	7.2
88.07629	2.2
91.03970	2.3
91.05489	9.4
93.07034	47.2
94.06528	3.8
95.04960	5.6
95.08595	66.9
97.02876	6.0
97.06525	6.8
99.04467	4.9
99.05562	5.2
101.07145	3.7
102.05533	7.9
104.05294	6.6
105.07027	6.6
105.25222	2.4
107.04951	6.0
107.08540	3.1
109.02837	4.6
109.06488	2.2
109.10146	3.9
110.07163	18.7
111.07513	2.0
112.08693	3.7
115.08678	3.2
116.01675	2.0
116.07085	11.5
117.03358	2.1
119.04921	2.5
119.08590	3.3
120.06625	2.2
120.08092	19.3
121.10122	25.6
122.02694	2.4
122.06033	3.2
123.04420	2.3
123.08128	2.6
125.05980	2.3
125.07157	2.0
127.03877	9.2
127.08674	4.9
127.11223	2.1
129.06619	3.6
129.10228	23.5
130.04984	3.9
130.06546	5.6
130.08578	4.0
132.08116	5.1
133.10107	4.0
134.08080	2.3
135.08008	2.1
136.06160	9.7
136.07574	10.5
137.09613	3.1
139.11159	89.2
141.06653	2.6
141.10229	2.5
143.11781	2.2
144.06567	3.7
144.07910	2.3
145.02863	4.0
145.04942	4.9
145.06065	2.4
145.10086	2.7
147.04405	3.0
147.11284	3.2
152.07071	2.0
153.05496	2.2
154.08571	4.3
157.12215	37.6
157.13383	3.1
158.06015	2.4
159.07899	2.5
159.09164	7.9
162.07669	4.1
163.03925	2.9
170.06010	2.4
173.09348	2.4
175.08725	1.9
177.05504	5.2
179.04897	1.9
182.08220	1.9
187.14461	2.0
189.09026	2.1
189.12537	2.7
192.06598	2.4
195.11227	2.4
199.13245	5.3
199.46786	1.9
204.02917	3.5
205.09734	2.1
206.40460	1.7
216.14204	1.9
217.13654	2.5
221.09444	2.6
222.04022	7.2
226.15227	1.9
230.12827	3.5
231.10104	2.5
243.10631	4.9
252.15903	2.1
259.11075	13.2
267.12332	4.4
274.12137	2.5
286.15408	2.6
329.60461	1.9
335.95676	2.0
345.10925	4.1
373.10205	5.3
385.17682	2.5
387.11926	2.4
387.22412	3.9
388.15329	2.1
405.11783	2.9
405.16440	10.3
405.22696	5.9
406.16080	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65477	2.1
53.03939	2.6
55.01850	3.8
55.05504	11.8
56.05026	9.0
57.03416	4.8
60.04512	10.1
61.01120	2.3
61.02906	3.6
67.05495	14.2
69.03407	11.6
69.07061	12.2
69.87374	4.7
69.87765	5.5
70.02929	3.1
70.06577	80.6
71.04977	7.1
71.06901	2.8
71.50117	1.6
72.08138	39.8
73.02914	4.7
73.08487	2.3
74.06063	8.4
76.02206	2.8
78.60132	1.6
79.05481	28.1
81.03405	7.7
81.07043	13.5
81.11424	1.8
82.06559	2.0
83.04965	45.7
83.08617	2.0
84.04491	25.5
84.08124	34.9
85.02879	23.2
85.04793	2.2
85.06503	3.3
85.08436	3.3
86.09161	3.3
86.09689	64.8
87.00809	6.5
87.05569	3.9
87.10027	6.0
88.03990	5.3
91.05459	12.3
91.25442	1.6
93.07020	67.6
95.04961	5.6
95.08591	86.5
95.70888	1.9
97.02884	10.7
97.06521	7.4
98.06058	2.8
98.09646	2.5
98.21477	3.5
99.04448	4.9
99.05570	4.7
101.07087	2.5
102.05521	6.4
104.05303	5.4
105.01845	4.4
105.07020	5.4
107.04928	4.4
107.08580	3.1
109.02850	7.1
109.06510	1.9
109.10134	4.7
110.07139	17.9
111.08062	2.2
112.08727	4.4
115.03880	2.7
115.08682	4.3
116.01689	3.0
116.07057	8.5
119.08559	3.0
120.08085	19.5
121.10123	29.0
123.04443	3.2
123.05523	1.8
123.08057	2.8
124.07500	1.9
125.05950	2.4
127.03875	11.1
127.08649	6.0
129.06601	2.6
129.10223	20.6
130.04974	3.5
130.06514	6.6
130.08612	4.7
130.10564	2.7
132.08138	6.4
133.10042	2.9
134.08127	3.4
135.11575	2.2
136.06157	6.5
136.07567	12.3
137.09602	4.3
139.11150	100.0
140.11488	1.9
141.06558	2.3
144.06546	3.6
145.02840	7.1
145.04890	4.5
146.05940	2.6
147.11475	1.8
154.08633	2.8
157.12213	46.4
159.02803	2.2
159.07762	2.2
159.09148	7.4
161.09355	3.5
162.02264	2.8
162.07571	4.3
163.03903	2.3
164.07030	2.7
170.06004	4.5
173.09430	2.8
177.05414	9.4
197.12836	2.8
199.13263	3.6
201.12308	2.2
203.10596	3.1
204.03001	4.3
215.13904	2.5
222.03915	4.7
225.14665	2.7
226.15370	2.1
247.16541	2.9
259.11060	7.3
267.12296	6.1
292.13071	2.7
331.09036	2.0
355.09106	2.8
372.09601	2.0
373.10434	5.0
387.11285	2.8
405.16479	5.2
405.21832	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.0
55.01858	3.5
55.05504	13.5
56.05030	9.0
57.03415	4.1
58.54489	1.7
60.04509	7.7
60.05620	2.1
61.01137	2.0
61.02913	3.4
64.44316	1.6
67.05490	19.1
69.03426	12.8
69.07054	9.3
69.75552	14.3
70.02971	2.4
70.06582	68.2
71.04971	6.2
71.06908	3.3
72.07789	2.6
72.08151	31.1
73.02892	5.5
73.08454	1.9
74.06058	6.2
76.02213	2.5
79.05482	27.4
81.03411	8.2
81.07055	12.8
83.04970	59.6
83.06078	3.2
84.04491	18.8
84.08131	35.6
85.02885	19.2
85.06522	3.1
86.09692	55.2
87.00809	9.0
87.05580	3.5
87.10026	4.0
88.03968	4.0
91.05490	11.4
93.04469	2.0
93.07033	65.8
95.04961	6.2
95.08593	80.1
97.02885	8.9
97.06530	4.6
98.06045	3.8
99.04436	5.9
102.05541	4.1
104.05305	5.0
105.01860	5.5
105.07010	4.0
107.04925	2.4
107.08594	2.1
109.02849	5.8
109.10135	5.2
110.07142	18.9
110.09672	2.4
112.08700	3.1
113.07108	2.7
115.08672	3.0
116.07088	6.0
119.04927	2.6
119.08593	2.8
120.05320	1.6
120.06669	1.7
120.08086	17.5
121.10117	33.7
122.06037	2.7
123.04388	2.3
123.08089	2.4
125.06009	2.0
127.03893	7.7
127.08691	2.8
129.05447	1.8
129.10248	20.9
130.04950	3.5
130.08656	2.6
132.08325	1.8
133.10194	2.2
134.08054	2.6
136.07526	7.4
137.09648	3.1
138.09062	2.9
139.11160	100.0
140.11533	3.0
145.02824	5.8
145.04918	4.1
147.04352	2.2
155.11780	2.8
156.07664	3.3
156.10129	3.1
157.04991	1.8
157.12225	50.2
157.13399	3.2
158.06020	1.8
159.02869	3.3
163.03908	2.8
164.07060	2.4
165.05330	2.0
166.08630	2.1
173.09274	2.2
173.12869	3.9
175.10751	4.9
177.05470	6.2
181.12257	2.1
195.13927	1.7
201.12265	2.7
203.10439	2.2
203.12109	3.8
204.02950	4.1
207.08185	2.6
208.06824	2.2
222.03967	5.1
231.11661	4.0
235.07619	3.3
237.08302	3.5
244.05792	3.5
244.09593	2.5
252.10208	5.2
253.10454	3.7
254.10709	7.4
259.10934	6.1
267.12204	3.0
296.12079	1.8
299.12933	1.9
300.11185	4.0
301.06778	1.7
342.12454	7.3
373.10150	5.5
405.16257	6.8
405.22266	9.6
406.10919	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	405.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05513	1.7
56.05014	0.8
60.04502	0.8
67.05484	1.9
69.03423	1.1
69.07047	2.9
70.06578	8.4
70.88959	2.3
71.06886	1.1
72.08139	1.0
79.05482	1.0
80.14774	0.8
81.03402	0.9
81.07037	1.8
81.62975	0.7
83.04970	0.9
84.04492	1.6
84.08113	2.2
85.02878	1.0
86.09696	10.0
87.10048	1.0
91.05469	1.4
93.07040	1.1
94.06541	1.1
95.08584	1.3
99.04433	0.8
105.07013	1.4
105.60780	0.6
107.08561	1.1
108.08091	2.5
108.08798	0.7
110.07158	1.1
119.08581	1.1
120.08096	6.0
121.08416	1.0
123.11662	0.7
126.05399	1.0
127.03958	1.4
129.10234	1.0
132.08047	0.7
133.10118	1.1
136.07570	1.5
137.05978	0.8
145.10104	0.9
147.11563	0.8
152.03311	0.7
155.08475	0.8
157.12241	0.7
160.07588	0.9
165.12688	1.0
166.13039	1.8
169.07539	0.7
183.09236	1.6
184.07631	1.2
189.10214	2.4
197.07051	7.6
197.08505	0.8
197.10645	1.5
198.07663	1.7
198.09264	1.5
199.08656	2.1
202.08598	1.7
207.09230	1.1
210.07808	0.9
211.08638	13.1
212.09224	0.8
213.10210	2.3
216.10135	1.2
220.17009	2.4
222.18604	1.4
225.06586	13.0
225.10117	8.8
226.08797	1.3
226.11357	0.8
227.08138	3.1
227.11790	2.4
228.10150	1.0
229.09668	1.3
235.08701	1.5
238.18013	3.1
239.04472	2.7
239.08109	23.9
239.13736	0.7
240.08817	2.2
240.19543	5.3
241.09764	0.9
241.19742	0.9
243.07628	2.5
245.12810	30.9
253.06111	1.4
253.09688	18.9
254.10344	1.1
255.07666	3.0
255.11221	3.9
257.03259	0.7
257.05643	2.9
257.09195	10.6
259.10776	0.9
267.07608	14.7
267.10303	0.6
268.08371	1.0
269.09131	1.2
271.07483	1.2
271.10745	11.6
273.08600	2.4
273.11984	0.7
275.10397	1.1
281.09155	16.6
283.10788	3.8
285.08682	6.4
286.09415	1.2
289.11816	6.0
293.09079	1.2
297.08624	1.8
299.06870	2.1
299.10211	32.8
300.10605	1.4
301.11746	2.5
309.08652	25.4
310.09012	0.8
311.10321	2.8
313.08292	1.0
317.07864	1.0
317.11270	2.8
327.09698	49.4
328.10150	2.2
329.11295	4.8
331.09177	1.7
337.08157	2.4
345.10760	100.0
346.11160	4.3
355.09277	7.5
359.12439	0.9
362.73343	0.7
369.10654	0.9
373.10245	69.8
374.10666	3.5
376.43600	0.8
387.11887	5.8
404.57953	2.1
404.72214	1.3
404.91534	2.0
405.12820	24.2
405.24829	1.9
406.13290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60091	1.3
53.33710	1.2
54.22403	1.3
55.01865	1.9
55.05498	4.7
56.05042	3.0
59.04983	2.5
60.04515	12.5
60.62323	1.3
61.01135	3.0
64.11572	1.3
67.05493	4.6
69.03426	2.5
69.07056	2.9
70.02927	2.4
70.06582	22.9
71.06918	1.6
71.45152	1.4
71.45497	3.1
72.08144	22.2
73.08477	1.4
74.06067	4.0
79.05473	2.7
81.03379	1.3
81.07034	4.7
83.04984	1.6
84.04501	4.9
84.08132	36.5
85.02900	8.9
85.06531	3.2
85.08502	2.1
86.09692	77.8
87.09489	2.0
87.10020	15.1
88.03983	4.0
91.05482	5.8
93.07044	4.3
95.04941	2.9
95.08593	19.0
101.07124	3.3
104.05315	3.0
105.07014	11.0
107.08572	10.0
109.02883	1.6
109.06534	3.5
109.10137	2.5
110.07175	2.6
111.05618	1.5
113.06022	3.8
113.07121	5.0
116.07079	1.8
117.06960	1.5
119.08561	13.7
120.08114	8.3
120.08876	1.9
121.10138	6.1
123.08051	8.9
123.11723	5.0
125.09618	2.2
129.07002	1.5
129.10220	17.8
130.10611	1.5
131.08556	6.9
132.10161	12.6
133.10121	2.5
135.08040	12.8
135.11674	6.6
136.07556	2.1
137.09550	1.5
138.09140	2.3
139.08635	1.7
141.06779	1.8
141.10237	1.5
143.08571	5.2
143.11812	3.1
144.06532	1.8
144.12085	1.5
145.10126	4.2
147.08046	10.6
147.11664	11.4
149.09601	10.8
151.08659	1.6
151.46201	1.4
153.10178	1.8
156.09288	11.4
157.13364	1.5
158.02463	1.2
159.09232	1.8
161.07396	2.0
161.09297	3.1
161.13289	4.4
163.11160	3.1
165.12729	2.2
168.11302	2.2
169.09700	2.1
171.11673	24.1
173.12798	10.1
174.13164	1.3
186.12390	3.4
187.10895	1.4
187.14377	1.4
188.07097	2.6
188.14490	1.3
189.06937	1.9
189.12709	22.4
190.12859	1.3
201.12317	4.5
203.06657	1.6
203.13925	2.4
204.02884	2.8
205.09709	2.5
207.13776	100.0
208.14149	5.0
212.13844	1.5
216.14233	1.4
219.13409	5.6
220.17044	2.3
222.03934	2.6
225.15030	1.5
233.15022	2.7
234.15228	3.6
238.17984	11.8
243.14592	1.7
257.13388	1.2
345.10834	1.9
371.69913	1.5
373.10153	3.6
374.18677	1.7
386.24884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.6
56.05031	3.2
59.04994	17.1
60.04514	4.5
62.92371	2.6
67.05496	10.0
69.03423	7.2
69.07063	7.4
69.79204	19.3
70.06583	29.5
72.08134	8.8
77.82957	2.3
79.05488	7.6
81.03387	7.5
81.07031	6.5
82.06588	3.3
83.04942	3.1
83.06185	2.5
84.04480	6.4
84.08122	10.5
85.02887	8.6
86.09697	16.2
87.05581	3.3
88.03957	3.6
91.05452	10.6
93.07027	10.4
94.06544	4.1
95.04939	4.5
95.08593	7.2
97.02855	2.7
101.05995	10.8
105.07014	14.2
106.22218	3.1
107.08588	65.6
108.08124	4.3
109.02856	4.4
109.06499	11.2
109.10149	9.8
110.07144	5.0
119.08560	13.0
119.26720	2.6
120.08098	9.8
121.06498	3.9
121.10138	4.6
123.07450	2.3
123.08057	25.2
124.07456	2.7
127.03825	2.7
129.10205	4.6
130.06558	3.3
133.06108	5.0
133.10161	4.3
135.08041	9.4
135.11702	10.5
136.06203	5.1
136.07530	2.7
137.09604	100.0
138.09906	3.5
139.92961	2.9
145.10072	3.5
147.11694	13.7
149.09598	5.1
151.07535	3.4
153.09091	12.1
161.13223	8.9
166.08650	3.2
181.04976	4.1
185.25589	2.4
189.12758	16.9
204.02875	3.8
207.13780	29.6
211.08638	3.3
220.16957	8.6
221.17519	3.0
222.03963	5.5
222.18629	3.4
225.14839	7.8
230.16492	2.8
238.17986	23.8
238.68047	7.3
239.08189	4.2
239.18303	4.2
240.19536	9.6
245.12897	4.3
246.67833	4.0
256.19080	3.7
281.09198	3.1
283.27686	2.5
299.10263	4.9
316.18234	4.4
327.09793	6.2
345.10776	11.0
369.02518	2.7
373.10229	10.3
382.72900	2.6
394.70200	5.8
395.20135	3.7
404.23584	5.7
405.12744	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	404.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05640	0.5
62.06075	100.0
70.06583	1.8
71.56403	0.6
71.56773	0.4
72.08139	2.4
72.48125	0.4
76.38687	0.4
84.08138	2.8
85.02872	1.0
86.09721	0.4
88.69901	0.4
90.34624	0.4
110.06024	1.0
115.60942	0.4
129.10246	1.7
143.08157	0.4
146.09767	0.4
147.11249	0.7
164.10745	0.7
224.12833	0.7
242.13905	1.4
266.29630	0.4
281.19141	0.5
289.54828	0.4
386.23944	0.5
404.14297	1.1
404.19196	4.3
404.24734	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	404.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49049	1.3
51.60661	1.5
55.05500	4.5
56.05028	10.1
59.83542	1.5
60.04518	69.2
61.01131	1.9
67.05489	1.9
68.05008	2.2
69.03431	2.0
69.07050	4.3
70.02934	5.0
70.06584	60.8
71.04987	3.0
71.06902	4.9
71.33540	2.9
72.08146	31.3
73.02922	1.6
73.08485	3.3
74.06071	8.7
79.05490	2.3
81.07030	2.0
83.04955	1.6
83.06124	7.6
84.04491	17.3
84.08134	30.5
85.02898	6.7
85.08481	2.8
86.06062	3.4
86.09697	92.1
87.05581	36.6
87.10030	4.7
88.03968	5.7
89.03869	2.2
90.05525	2.0
91.05450	2.8
95.04961	2.2
95.08600	1.7
96.04474	1.8
97.02888	3.8
98.06046	3.5
98.09671	2.9
99.05544	2.5
100.03977	1.7
101.07120	11.8
102.05526	8.4
104.05331	4.1
105.07053	2.4
107.04942	2.1
110.06040	1.7
110.07140	18.4
110.09682	3.8
111.05550	2.2
112.08707	5.6
112.49925	1.4
113.07126	12.0
114.05526	1.9
115.05038	39.4
115.08665	2.1
116.03452	3.9
116.07092	7.7
117.03342	7.5
118.82410	1.5
119.04908	3.5
120.08092	8.8
125.07016	2.3
126.09143	2.5
127.03945	2.2
127.04947	2.7
127.12334	2.0
129.06561	8.1
129.10226	20.3
130.04976	4.9
130.06425	2.5
130.08678	2.8
130.10608	2.1
131.08134	12.0
132.10181	50.6
135.04396	8.1
136.07565	6.6
138.09117	2.5
139.03882	2.2
139.05005	2.4
139.11160	2.2
140.08145	3.5
141.06566	48.8
143.11763	2.0
145.02826	15.9
146.11774	2.2
147.04443	4.4
147.07628	6.6
147.11357	2.1
149.05963	2.8
153.06596	1.8
155.11736	10.1
156.07646	1.9
156.10233	1.8
157.06070	7.2
158.09267	3.4
159.07619	29.4
163.03882	19.3
164.07024	2.0
168.07661	2.0
170.09256	2.0
173.05508	2.6
173.09253	2.2
173.12836	26.3
175.03888	4.1
177.03882	1.9
177.05440	30.7
183.11290	12.8
184.07161	2.3
186.08713	40.9
187.10748	2.5
187.14442	3.0
189.08755	1.8
192.39223	1.9
198.08739	4.4
201.12302	17.4
202.08308	3.4
203.10294	2.1
203.13953	2.0
207.06564	10.2
207.08302	2.0
210.08633	2.2
215.13803	2.3
216.09819	2.4
219.13368	100.0
220.13750	2.5
225.07497	4.6
226.08119	2.6
227.11406	5.1
228.09821	13.5
229.11859	6.2
238.17914	2.0
242.58739	1.7
244.13509	1.7
245.12395	14.6
254.14951	3.0
255.10837	23.2
272.16022	11.7
273.11914	53.8
290.17004	7.9
291.12988	2.3
297.15540	2.2
323.16953	2.6
329.18076	1.8
340.19742	6.9
341.18042	2.1
351.16708	1.9
358.20834	4.5
368.19330	8.2
386.15695	2.5
386.20334	40.5
386.24689	1.6
395.72067	1.6
404.21802	21.5
404.72406	1.5
405.17300	4.0
415.29324	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	403.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.9
56.05028	6.1
57.03438	0.6
57.05824	0.9
58.06596	2.2
59.04995	1.3
60.04519	2.1
60.05348	0.6
60.05627	0.7
61.01162	0.7
66.88326	0.5
67.05489	0.9
69.03432	0.7
69.07063	2.1
69.96276	3.0
70.02938	0.8
70.06583	46.3
70.33534	0.5
70.82819	0.5
71.04974	0.5
71.06911	2.1
72.08145	100.0
73.02896	0.9
73.08482	2.0
74.06068	13.3
81.07040	1.4
82.06573	0.8
83.06111	0.5
84.04485	8.6
84.08138	6.2
85.02894	1.6
86.06065	1.1
86.09694	70.4
87.05585	1.7
87.10018	2.5
88.03978	3.5
91.05476	1.8
93.06999	1.1
95.08614	0.9
96.08125	1.1
97.02895	0.9
98.02393	1.0
98.06053	2.3
98.09695	0.9
99.04430	0.9
99.88873	0.5
100.03967	0.9
101.07126	12.1
102.05526	2.5
103.49074	0.5
104.05333	1.4
109.02902	0.7
109.06521	0.9
110.07158	3.7
112.08698	1.2
113.07126	0.5
113.10719	0.9
115.08684	0.6
115.55846	0.5
116.07088	2.1
119.08603	1.1
120.08074	3.7
121.06493	0.9
124.07574	0.9
124.11262	0.6
126.05491	2.3
126.09129	1.2
126.12783	0.9
127.03889	1.1
127.08659	2.9
127.09681	0.5
128.10664	0.8
129.06531	0.6
129.10225	3.9
134.04425	0.6
134.08115	1.4
135.04398	0.6
135.08076	0.7
135.11671	0.9
136.06090	0.9
136.07573	4.1
137.07906	1.9
137.58708	0.5
138.09100	1.3
141.10226	3.7
142.08582	1.5
142.12267	5.0
143.11774	7.4
144.06531	2.1
145.06100	0.6
154.08585	1.2
155.07024	0.7
155.08070	1.4
155.09109	0.8
156.07588	0.6
156.10164	2.3
157.09662	1.2
157.13341	1.9
161.09229	1.3
162.07643	1.0
163.03831	0.8
167.11740	1.1
169.09718	0.8
169.13367	1.4
171.07620	0.6
171.11258	2.8
173.09077	1.0
173.12769	1.4
175.10739	9.7
175.12071	0.8
177.05473	1.0
177.08714	0.7
179.08524	1.6
183.07983	1.1
183.11253	2.2
184.09563	1.0
185.09203	0.8
185.12753	1.5
185.16425	1.5
186.12280	2.6
187.10995	2.9
187.14391	52.8
188.14818	0.8
189.12309	31.0
190.12651	1.4
193.12195	1.3
195.11295	0.9
197.12816	1.0
199.18065	0.7
201.12314	19.5
201.14200	1.1
203.13763	2.4
205.12177	0.9
207.06381	1.6
207.07990	5.4
209.12782	0.6
211.07462	1.1
213.15929	0.7
214.11786	0.8
215.10281	2.5
215.13885	38.9
217.06409	0.6
219.13326	2.3
223.13199	1.7
223.15239	0.9
224.15685	1.0
225.07559	0.8
225.15836	0.8
229.11806	14.1
229.15292	1.1
233.11237	2.3
233.14838	1.2
235.07518	7.5
239.06831	3.1
240.07204	0.6
252.10178	17.3
252.12825	1.1
253.10481	1.5
254.14949	0.9
258.14301	0.6
260.12250	1.2
269.18533	1.4
270.18085	1.3
281.07996	3.4
294.11203	3.3
296.19675	0.7
297.12082	2.3
298.10596	4.9
299.10739	0.7
314.20758	7.0
315.13153	0.6
315.66568	1.1
325.07950	1.1
328.18475	2.0
339.13049	0.6
340.11746	8.8
351.20139	1.1
357.13980	1.2
357.17621	1.4
367.12488	1.5
385.13602	1.6
385.19846	0.7
385.24496	0.9
403.15292	2.7
403.20187	0.8
403.25241	1.2
404.15048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37787	0.5
55.05505	7.6
56.05040	2.2
57.05811	0.8
57.23857	0.5
59.04985	0.8
60.04515	5.0
61.29217	0.6
64.10091	0.5
66.09877	0.5
69.07050	4.9
69.80356	1.6
69.80775	1.9
70.02952	1.0
70.06583	33.1
71.06915	0.9
72.08146	100.0
73.08486	2.2
74.06062	2.6
75.00211	0.5
75.05595	5.0
84.04494	11.8
84.08134	6.1
85.02921	0.9
86.06039	0.6
86.09695	81.9
87.05582	1.6
87.10013	1.8
88.03973	2.6
91.05455	1.1
95.08568	0.6
98.06027	1.2
101.07114	2.5
102.05516	2.7
104.05322	1.0
105.07013	0.6
106.04987	0.9
107.08574	0.8
110.07133	2.9
112.07620	0.5
112.08730	1.0
115.08684	0.9
116.07092	3.0
120.08098	2.0
123.08031	0.7
126.05493	0.6
127.08655	1.5
127.51586	0.5
129.06580	1.1
129.10225	4.9
130.05003	1.2
130.06531	0.9
130.08629	0.5
133.06094	0.7
134.04480	0.9
136.07545	1.3
142.08650	0.8
143.08171	0.8
143.11780	23.8
144.06551	10.0
145.10071	0.9
147.11230	1.0
148.06067	0.5
155.08124	1.0
156.10236	0.7
157.09665	1.4
157.13336	3.6
159.07634	0.9
159.09123	1.0
161.09192	14.8
164.07172	0.7
169.09642	1.7
171.11263	13.9
173.09209	0.6
173.12859	1.5
175.10658	0.9
177.08627	1.4
179.08484	0.9
181.06325	0.5
183.11285	0.9
185.09169	2.0
185.12808	4.0
185.16393	0.6
187.10805	2.7
187.14307	1.3
189.12346	8.8
195.11212	0.8
197.12802	2.5
197.16362	0.6
199.18002	1.5
201.08711	0.8
201.12291	6.4
203.10252	0.7
203.13925	0.7
205.12032	1.1
207.06377	1.2
207.08055	1.2
214.11786	0.7
215.10312	3.6
215.13892	3.2
219.13347	3.5
223.13229	1.8
223.15259	0.7
224.63028	0.6
225.12340	0.9
225.15909	3.2
226.16281	0.5
227.17503	1.1
229.11792	1.9
229.15387	1.2
233.11290	21.3
235.07486	2.2
239.06972	1.1
241.14311	0.8
252.10123	5.0
254.11635	0.6
270.14972	0.8
270.18112	6.9
272.15863	0.7
281.08133	0.8
286.13644	0.7
294.11133	1.0
297.08578	0.6
297.11984	0.7
298.10657	0.7
304.14819	0.7
328.18549	1.4
340.11734	2.0
347.20117	0.6
357.13995	1.3
357.17798	1.1
385.20346	1.3
403.10614	0.6
403.15048	1.3
403.21277	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	403.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01855	1.9
55.05260	1.4
55.05506	17.1
56.05032	8.1
57.05807	2.3
58.06592	2.4
60.04507	2.1
60.10615	1.2
61.01144	6.4
65.03947	2.3
67.05497	8.0
69.03409	1.9
69.07064	6.8
70.02944	2.2
70.06585	79.9
71.04983	1.8
71.06910	2.5
71.72366	1.7
72.08147	85.6
73.08463	1.8
74.06067	2.4
79.05472	7.8
81.03437	1.3
81.07049	9.3
82.06577	3.2
83.04992	1.4
83.08583	2.0
84.04488	4.6
84.08133	9.2
85.02911	3.1
86.06025	1.0
86.09692	17.0
87.04431	1.0
87.05584	16.0
87.09995	1.0
88.03992	1.8
91.05472	9.3
92.05775	1.6
93.07028	8.6
94.06559	3.4
95.04961	4.0
95.08579	5.9
96.08119	4.2
97.02872	1.5
97.06533	1.6
98.06055	2.7
101.07085	1.0
102.05549	1.1
103.05465	8.3
104.05283	5.3
105.01823	1.4
105.07016	6.1
106.06577	1.0
107.04955	4.3
107.07339	2.2
107.08600	4.5
108.08118	4.8
109.02850	1.6
109.06506	1.6
109.10143	3.9
110.06022	1.1
110.07171	3.9
110.09687	2.8
111.04453	2.9
112.08722	1.4
115.08670	1.6
117.07005	1.4
119.04919	1.3
119.08575	7.7
120.08092	100.0
120.08807	3.6
121.06483	2.3
121.08391	5.5
121.10154	3.4
122.09693	3.2
123.04427	3.0
123.08104	1.4
124.11220	2.3
125.05977	3.4
125.07087	2.4
126.12782	4.6
127.03884	3.8
129.01833	2.3
129.10236	4.1
130.04994	1.1
131.04945	4.0
131.08595	2.1
132.08070	3.1
133.10080	6.2
135.08052	1.7
135.11734	1.3
136.07565	4.0
137.05930	2.1
137.09599	2.3
138.85094	1.1
139.03888	1.6
143.11792	1.9
145.02879	2.6
145.10112	3.5
147.04419	3.0
147.11653	1.1
149.02336	2.4
149.05957	2.3
149.09608	1.4
151.03865	1.4
153.05466	3.6
153.06648	1.3
159.09219	1.4
159.11678	1.5
160.07602	3.2
163.03908	2.6
163.11208	2.8
166.08614	37.3
167.06950	2.2
167.08006	5.6
169.13383	5.0
170.05899	1.2
173.09618	1.3
173.13194	1.4
177.05492	3.1
179.03409	1.4
181.04985	1.4
184.10858	4.5
191.14281	2.7
197.12863	4.1
202.08652	3.0
207.14958	1.4
211.05969	2.7
212.10280	23.5
213.10651	1.8
218.15384	1.4
219.11343	1.5
220.16846	10.6
221.17322	2.5
222.18529	8.2
223.18764	1.8
224.16527	1.7
233.11658	1.7
236.16420	2.9
238.17969	20.7
238.20149	1.8
238.68271	1.4
239.18712	16.5
239.68910	4.0
240.19554	25.7
241.19902	4.9
246.09055	1.6
246.17711	11.2
246.67949	2.6
254.17532	1.2
256.19128	5.0
257.19397	1.6
265.15427	2.5
267.18100	1.8
272.18683	1.5
295.06088	1.1
303.69980	1.5
311.17117	7.3
312.70334	1.8
320.70343	1.3
321.71317	1.9
335.71118	1.3
343.14346	9.0
344.14267	1.2
345.16068	1.6
366.21506	1.5
393.70731	1.3
394.20560	1.7
397.19144	1.6
402.72015	13.6
402.77332	2.5
403.09811	2.1
403.22339	7.7
403.27420	2.3
403.72568	2.5
414.21667	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	403.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.6
56.05023	7.7
57.03415	2.4
58.06580	1.7
59.04985	2.7
60.04509	4.3
61.01145	1.8
66.39619	1.4
67.05488	2.2
67.45863	1.4
68.99753	1.2
69.03409	5.2
69.07053	4.8
70.06577	71.1
70.71679	2.2
70.72015	2.7
71.04992	2.3
71.06895	1.9
72.08141	67.1
73.08492	1.8
74.06059	11.8
79.05475	3.9
81.03404	1.9
81.07028	5.3
83.01357	1.7
83.04964	4.5
83.06099	1.8
84.04489	14.3
84.08140	20.0
85.02901	7.4
85.08440	2.0
86.09691	100.0
87.05556	1.4
87.10028	3.9
88.03983	5.2
91.05462	7.3
93.07028	8.5
94.06549	2.4
95.04942	2.3
95.08572	7.4
96.08116	2.7
97.02856	1.8
98.06065	2.0
101.07127	6.4
102.05535	2.9
104.05316	2.7
105.07032	3.9
107.04900	2.0
107.08569	5.3
109.06493	11.5
109.10123	1.9
110.07162	6.9
111.08069	6.2
112.08685	2.6
115.08684	1.6
115.16021	1.3
116.07055	4.7
119.08558	5.7
120.08096	10.4
121.06496	13.4
121.10113	2.8
122.09690	1.8
123.08039	5.8
125.09584	2.7
126.05494	2.9
127.08632	1.9
129.10213	15.7
133.10126	3.2
134.04454	3.4
135.08047	8.7
136.06116	3.1
136.07628	2.6
137.09615	4.8
139.07518	2.2
141.06601	1.6
141.10243	1.7
142.12289	1.8
143.11807	9.3
144.06499	3.8
145.04938	1.7
147.04317	2.0
147.11626	2.8
149.05936	4.0
149.09586	3.2
151.11116	3.7
153.09105	12.7
155.08105	3.3
157.09721	3.3
157.13435	2.2
159.09143	1.5
159.11598	3.1
160.08691	1.5
161.09349	2.8
162.07582	3.1
163.11064	1.8
165.09055	2.4
171.11247	5.8
173.12856	2.9
175.11104	13.7
177.05533	1.5
177.08800	2.0
177.12715	4.0
179.10574	2.4
184.51047	1.3
184.93462	1.4
185.12852	3.9
187.10976	1.6
187.14348	16.3
189.12282	10.0
191.06616	2.8
193.12209	44.2
195.13750	2.1
197.09196	2.9
197.12796	2.1
199.18008	2.5
201.12338	6.0
203.13866	2.1
205.12213	7.5
215.10280	2.9
215.13931	12.1
219.13342	3.6
220.16969	3.0
223.13257	21.3
227.17624	1.4
229.11882	3.0
231.09686	2.1
233.11317	7.3
238.18001	6.6
242.10437	1.9
244.18034	12.6
244.68285	2.6
247.12975	1.6
250.18007	2.9
252.10075	2.3
270.18082	3.4
310.20932	1.5
314.20755	2.2
325.08133	3.3
351.20160	2.1
353.07623	1.9
357.17279	2.6
359.21359	1.7
366.16608	1.5
367.71976	11.1
368.22168	2.8
403.10507	1.6
403.23959	4.6
403.73932	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	403.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
54.76680	1.7
55.01884	2.2
55.05507	9.4
56.05031	7.8
56.96140	1.7
57.03417	2.6
59.04984	3.1
60.04498	6.1
67.05492	4.7
69.03412	6.9
69.07046	6.6
70.02953	1.7
70.06583	73.9
70.16235	9.4
71.06937	1.8
72.08144	62.2
74.06069	12.7
79.05478	5.7
81.03408	2.7
81.07051	9.8
83.04971	5.8
84.04484	13.3
84.08134	24.7
85.02891	13.9
85.06554	1.5
85.08485	1.9
86.02376	1.6
86.09691	100.0
87.05585	2.5
87.10044	3.5
88.03977	5.3
91.05485	7.8
93.07015	10.9
94.06538	3.1
95.04958	4.8
95.08588	7.8
97.10155	1.4
98.06017	4.1
98.21435	2.0
101.07117	4.3
102.05520	3.7
104.05302	4.7
105.07001	5.5
107.08561	6.0
109.06490	15.0
109.10124	3.4
110.07149	9.0
111.08057	8.5
112.08714	1.9
113.06033	2.5
113.39570	1.6
116.07078	5.3
119.08593	6.4
120.08066	10.1
121.06472	18.3
121.10130	4.6
123.08046	10.4
125.09587	3.6
126.05490	2.7
127.03939	2.4
127.04908	1.5
127.08659	2.9
129.10228	17.8
130.04951	2.6
130.06520	2.4
133.10106	4.9
134.04478	3.0
134.45065	1.9
134.69479	1.5
135.08054	9.8
135.11620	4.5
136.07567	3.5
137.05965	3.7
137.09579	3.0
138.09097	2.0
143.11806	9.2
144.06525	1.9
145.05002	1.8
145.10033	2.0
147.08044	2.6
147.11580	3.5
148.74577	1.6
149.05972	4.4
149.09578	5.2
149.13297	2.2
151.11201	4.0
153.09064	17.7
155.08165	2.5
157.09818	4.5
157.13365	7.0
159.11514	5.1
160.08803	3.5
161.09500	2.2
162.07629	3.3
163.11147	2.1
165.09033	3.0
169.09723	1.7
171.11302	4.1
175.03731	1.8
175.11131	24.4
177.08653	2.8
177.12711	9.2
179.10614	4.3
180.42970	1.7
185.12871	3.5
187.10849	3.3
187.14410	18.8
189.12347	9.5
191.06624	1.7
193.12207	65.5
195.11198	2.0
195.13716	3.8
197.09169	2.1
197.12984	3.1
201.05511	2.0
201.12354	4.9
203.13979	1.6
205.12227	12.4
207.06381	3.0
215.10233	2.9
215.13847	11.2
217.15401	2.2
219.13354	5.1
220.16861	1.7
223.13257	24.2
224.13371	1.8
225.15901	2.3
226.11884	2.0
233.11337	4.7
238.17979	5.6
242.10397	1.8
244.17955	7.0
244.68216	2.4
247.12920	4.1
250.17949	2.2
252.10216	1.7
252.13321	2.1
270.18118	2.8
281.41528	1.8
307.07001	2.2
310.17532	2.2
325.07996	2.4
326.86334	1.8
351.20215	2.9
367.71970	8.7
368.22079	3.7
385.24481	2.5
403.11005	3.7
403.24442	7.1
403.29376	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	403.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10061	1.9
55.01860	16.5
55.05499	14.8
56.05024	5.2
57.03431	5.6
57.07054	2.1
58.06601	2.1
59.46420	2.1
62.91079	1.9
64.98093	1.9
67.05494	18.2
69.03406	10.8
69.07058	22.9
70.06580	37.2
70.28957	3.0
70.29308	8.8
71.04974	4.7
71.35723	2.1
72.08143	8.9
73.02889	1.9
74.67362	2.0
77.65549	1.9
78.57851	2.1
79.05482	24.6
79.81980	2.3
80.34525	1.7
81.03416	4.6
81.07043	37.5
82.06561	3.0
82.20588	2.0
83.04972	4.6
83.08587	2.3
84.04488	6.4
84.08122	8.6
85.02885	9.4
85.06538	13.6
86.09678	16.6
87.10065	1.8
91.05475	20.1
93.07027	51.1
95.01310	10.0
95.04958	8.5
95.08594	23.1
96.08147	2.6
97.06505	20.8
99.04433	12.3
102.05490	1.9
103.05446	2.8
105.07018	43.1
107.05000	5.0
107.08575	56.2
108.08129	3.6
108.08880	3.2
109.02826	3.4
109.06490	22.3
109.10126	4.8
110.09665	3.4
111.08061	6.6
113.02345	4.8
113.06040	9.7
115.08624	2.3
117.07049	4.9
119.08561	18.7
120.08089	8.3
121.06483	29.6
121.10124	44.3
121.10927	3.6
122.09653	3.4
123.08056	17.5
125.05987	3.3
125.09589	2.5
127.03939	2.7
129.01810	4.2
129.06949	2.2
129.10181	4.8
130.07800	2.4
131.04965	2.3
131.08556	6.4
133.10124	2.8
135.08037	15.6
135.11674	19.2
137.09566	4.1
138.09122	2.7
139.03899	3.4
139.11165	2.6
141.01808	13.2
144.09271	2.1
145.02823	2.4
145.10104	43.8
147.11652	11.6
149.09605	22.5
151.07512	9.6
153.05449	4.4
153.48531	2.1
161.09605	2.0
163.11150	83.0
164.11557	3.5
167.03459	3.9
167.07007	2.5
167.10649	29.8
169.08580	100.0
173.09564	12.3
173.20943	2.5
177.03972	3.2
177.05484	7.3
181.12219	36.0
181.13708	3.3
185.11739	13.9
191.10643	74.3
201.03838	9.9
209.11667	32.5
211.05829	2.6
218.15512	2.4
220.16924	15.1
221.17284	2.8
222.18544	9.1
227.12730	84.7
228.13002	2.2
233.11411	2.2
236.16504	4.4
238.17987	26.0
238.68089	2.8
239.18546	8.4
239.20950	2.1
240.19542	16.4
246.17722	25.4
254.17560	2.3
256.19128	5.3
299.16223	2.7
302.25159	2.1
312.70306	8.2
334.19366	3.1
342.66696	3.7
349.12738	9.5
367.13800	16.0
385.14871	3.6
393.76495	2.6
402.71918	3.7
402.77097	3.7
403.17355	3.0
403.22333	8.6
416.09299	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	403.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72729	0.6
55.05451	3.0
56.04978	1.8
59.04950	1.6
60.04467	1.7
63.05147	0.6
69.06999	1.1
70.03587	3.3
70.06582	45.2
70.06934	2.3
71.06863	1.9
72.08144	24.9
74.06011	2.2
84.04489	3.2
84.08131	4.4
86.09693	27.0
87.09962	0.6
88.03951	0.8
91.05423	1.2
93.06978	0.6
95.08533	0.7
98.02342	0.8
98.05984	2.2
101.07047	1.7
102.05486	0.9
110.07103	1.2
111.94513	0.5
112.08649	0.9
115.08686	0.8
116.07036	1.1
120.08039	1.3
121.06408	0.7
124.55036	0.6
126.05454	2.3
127.08592	2.2
128.10672	0.7
129.10172	2.3
136.07501	2.2
137.07886	0.6
137.09518	0.5
141.10117	0.7
142.08536	0.7
143.11716	1.1
155.06984	0.6
155.08138	1.7
157.09659	1.5
157.13258	0.7
162.10645	1.0
163.03828	1.0
165.06955	0.7
167.11797	1.0
169.13297	0.8
171.07672	0.7
173.12798	1.2
175.10751	2.4
177.08699	0.6
179.08528	9.3
183.08014	5.5
183.11223	0.9
185.09212	1.2
187.10760	2.7
187.14389	5.2
189.06941	0.7
189.12289	5.5
193.06415	0.8
195.07977	0.6
195.11276	1.4
197.12849	0.9
201.12328	5.5
203.13829	2.5
205.12329	0.6
206.09583	1.1
207.08022	36.4
208.08406	1.0
209.09622	0.8
211.07535	4.1
215.10161	2.2
215.12016	0.6
215.13850	3.0
217.06458	3.1
221.05927	3.0
223.07533	2.5
223.13286	1.1
223.15359	1.0
224.15779	1.4
224.62982	0.9
225.13148	0.6
227.17560	0.7
229.11783	2.5
234.09065	1.0
235.07495	38.5
236.07948	1.2
237.09059	2.2
239.06979	19.9
240.07301	0.8
252.10158	100.0
253.10571	3.7
254.11699	1.2
254.14967	0.6
256.09799	0.7
260.12442	2.0
262.08646	1.3
263.06998	4.2
273.16037	0.8
273.66003	0.7
280.09726	3.1
281.08029	21.7
282.08557	0.6
294.11203	20.1
296.19794	1.0
297.12305	12.0
298.10663	27.1
299.11014	0.9
314.20667	0.7
315.13333	3.5
315.66592	2.5
316.17035	1.0
321.68430	0.6
322.10657	4.4
325.08359	0.8
339.13434	2.3
340.11740	48.0
341.12314	1.8
343.12836	4.2
344.11542	0.8
351.20438	1.9
357.14255	9.4
357.17291	1.1
361.13992	1.0
367.12836	3.0
385.13907	9.0
385.24481	0.8
391.25012	0.6
391.29980	0.8
403.09976	1.2
403.15024	18.6
403.20486	0.9
403.29874	0.6
420.26373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.138
Annotation	Nobiletin
Peak:m/z	Relative Intensity
51.58369	0.3
51.65450	0.3
55.05477	0.3
56.02455	0.3
58.11287	0.3
68.99741	0.6
69.03371	1.0
69.06991	0.5
70.06552	0.7
70.15228	2.0
81.06998	0.6
83.08583	0.4
84.04488	0.4
84.78882	0.4
91.05447	0.3
98.20834	0.4
99.04445	0.4
127.03918	2.2
129.01773	0.5
137.02293	0.6
139.05930	0.4
147.04367	0.4
151.07468	0.3
152.35571	0.3
157.01190	0.4
158.00391	0.3
162.06613	0.5
162.64819	0.3
163.07520	2.2
165.01793	0.4
165.05447	2.6
169.01318	0.7
183.01334	0.6
183.02867	10.5
184.21317	0.3
185.08029	0.4
186.01552	0.6
193.01233	0.9
211.02344	6.5
227.06970	0.5
229.03429	2.3
231.06389	1.0
244.07141	0.9
257.08081	0.4
258.05219	3.0
259.05899	2.2
269.08215	0.4
272.06723	0.7
273.07474	0.5
274.08255	1.0
283.05951	0.4
284.06769	1.0
287.05438	0.6
299.09036	1.2
301.07025	6.3
302.07535	0.8
312.06216	1.9
313.06931	3.1
315.04993	2.3
324.09723	0.3
325.03302	0.6
325.10602	0.3
327.05182	0.4
327.08585	7.9
329.06482	4.2
330.07275	5.4
339.04974	0.5
341.10175	0.6
343.04379	1.4
343.08084	0.7
344.09119	0.5
345.05948	0.6
345.09634	2.7
353.06393	0.3
355.08017	4.7
357.05942	2.0
357.09836	0.8
358.06763	5.6
359.11121	0.5
362.64258	0.4
373.09137	85.2
374.09494	4.1
387.10690	1.4
388.06473	0.4
388.11456	7.9
389.11865	0.6
403.13831	100.0
404.14069	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	402.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74863	0.4
53.28875	0.4
55.05503	9.4
56.05028	2.4
56.07027	0.5
56.75380	0.4
57.05811	0.9
60.04511	3.4
60.05642	0.5
67.05484	1.0
67.87197	0.4
69.03419	0.7
69.07059	5.1
70.02943	1.6
70.06580	21.1
70.53757	0.4
71.06913	2.0
71.14439	1.0
71.50989	0.4
72.08143	100.0
73.02866	0.5
73.08469	0.8
74.06062	1.7
76.03992	1.5
78.08629	0.4
79.05480	0.5
81.03401	0.5
82.06577	1.0
83.04985	0.7
83.06099	2.8
84.04490	7.9
84.08125	9.1
85.02897	1.6
85.04030	0.8
86.09692	58.3
87.05576	8.3
87.06062	0.8
87.10037	1.4
87.44083	0.5
88.03973	1.7
90.05531	0.4
91.05484	1.6
93.04529	1.2
93.07027	1.2
95.04942	1.0
95.06100	1.7
96.08141	1.6
97.02878	0.6
97.06516	0.5
98.02406	1.6
98.06010	0.5
99.05589	0.5
99.09210	1.5
101.07140	1.2
102.05537	1.7
106.05029	0.6
108.08108	1.1
109.06499	0.5
110.02364	0.8
110.06068	2.3
110.07151	23.8
110.09685	0.5
112.07627	1.0
112.08688	1.0
113.07128	0.5
115.05056	1.0
115.08684	1.0
116.07089	1.2
118.06528	0.5
119.04914	0.6
119.07303	1.2
120.08063	2.7
121.06501	0.6
124.03951	0.6
124.07568	3.2
127.08654	5.8
129.10222	4.9
130.04990	1.2
133.06052	2.5
134.06021	0.7
136.07559	6.8
138.06590	1.0
138.09135	1.3
140.18065	0.5
141.06595	0.5
141.10207	6.8
143.11774	1.6
144.06528	4.3
147.04366	0.5
147.07642	1.2
152.07100	1.0
154.08632	2.6
155.11766	5.1
156.07666	0.8
157.09763	1.4
158.09138	0.6
161.09195	4.9
163.95332	0.6
164.11818	5.0
166.08629	1.7
167.07008	0.6
169.09698	11.0
171.11302	1.6
173.12746	0.6
175.12003	0.6
180.06532	1.5
183.11253	3.7
186.12321	6.1
187.10841	1.0
189.12329	12.9
192.11351	0.7
193.09753	0.6
197.09166	8.4
197.12849	0.7
199.10844	1.1
200.13902	9.3
201.12404	1.4
203.10236	1.1
205.12289	0.7
207.08139	1.5
209.13947	6.6
211.10645	0.6
214.11830	51.4
215.12135	0.8
215.14043	0.5
219.13312	0.5
220.16879	0.9
222.05840	1.2
227.10338	0.7
228.13434	9.1
229.11859	1.1
229.15498	1.1
232.12949	0.6
235.07611	1.6
237.13425	8.3
238.18034	1.1
252.10245	1.9
254.12003	0.6
256.19025	0.9
265.15524	1.1
268.12842	0.6
269.13138	1.2
270.11301	0.6
270.18097	0.7
281.07974	0.8
282.18063	5.8
286.14011	0.8
299.20862	1.9
303.16702	2.3
310.17560	1.1
315.13507	1.6
327.20175	7.0
328.20746	0.5
337.09573	0.5
357.14407	4.5
366.19281	0.7
367.20026	0.8
384.23062	1.4
385.20657	2.6
401.72284	0.5
402.21158	3.4
402.25510	6.6
403.15286	2.2
403.22052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
56.05027	1.8
56.05847	0.3
57.05804	0.8
58.99566	0.6
60.04514	2.9
60.05642	0.8
62.22389	0.4
65.03923	0.6
67.05477	0.3
69.03408	0.4
69.07056	0.9
69.51413	2.3
69.51833	0.7
70.02959	0.5
70.06580	16.9
71.04983	0.8
71.06915	1.3
72.08142	74.6
73.08466	0.8
74.00643	0.5
74.02429	1.2
74.06066	1.4
75.05594	0.4
76.02222	0.5
82.06560	0.6
83.06091	0.6
84.04491	7.9
84.04978	0.7
84.07629	0.7
84.08128	9.7
85.02916	0.7
86.09689	25.0
87.05571	3.3
87.09993	0.5
88.03976	1.5
90.05550	0.6
91.05470	6.0
95.04967	0.9
95.06049	0.4
97.02897	0.4
98.02467	0.4
98.06027	0.4
100.07607	0.9
101.07126	1.2
102.05532	1.8
104.05313	0.4
106.04996	1.4
107.04957	0.5
108.08082	0.6
109.02903	0.4
110.07141	4.0
112.07555	0.4
112.08717	2.0
113.07138	0.3
115.08677	2.8
116.03405	0.4
116.07061	0.8
118.06506	0.4
119.04926	17.6
120.05247	1.0
120.06593	0.4
120.08107	2.0
122.02709	3.4
122.06061	0.3
122.07139	0.4
123.04400	3.7
124.07576	0.3
127.08653	0.6
129.06560	0.4
129.10214	6.8
130.04993	8.3
130.08591	0.7
131.11792	0.4
133.02808	0.3
133.06067	18.8
135.04396	1.7
136.05156	0.4
136.06129	0.6
136.07565	2.4
140.10706	0.4
140.40550	0.3
141.10143	0.8
143.08148	2.0
143.11778	20.1
144.06505	0.3
146.09644	0.5
147.04385	100.0
147.07597	12.3
148.04733	5.3
148.05876	0.7
152.07013	0.4
154.08543	0.7
156.07661	3.0
157.09654	0.8
157.10838	0.6
157.13309	1.1
161.05934	0.3
163.03848	2.4
169.09775	0.6
169.13380	0.6
171.11259	21.0
171.14880	1.0
173.09174	0.5
175.11887	1.1
181.04924	1.4
183.11308	0.7
183.14975	0.4
185.09254	0.4
185.12796	0.5
187.10703	0.8
195.12215	0.4
197.05991	0.3
197.10341	0.5
199.14401	0.5
200.13940	0.6
201.08678	0.4
201.12343	0.9
203.10223	0.5
203.13805	0.4
211.14229	0.6
214.11801	1.3
215.10248	3.5
220.16916	0.5
225.15869	3.3
228.13380	0.6
232.12886	26.1
234.14847	0.4
240.08749	0.5
240.16022	0.4
243.13425	0.6
246.14326	0.5
252.10161	1.2
256.16479	1.5
256.18930	0.5
260.15997	5.7
262.96927	0.7
270.18066	8.2
281.06357	2.2
288.20358	0.5
289.94421	0.4
298.10736	0.5
327.20520	0.4
331.19760	0.6
340.11655	0.7
383.40582	0.4
385.21356	1.0
402.24097	8.0
403.15219	0.7
403.23044	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	401.3408
Annotation	24(S),25-Epoxycholesterol
Peak:m/z	Relative Intensity
54.46785	1.6
55.01866	2.6
55.05503	7.1
57.07062	4.2
59.05016	3.0
67.05502	15.7
69.07052	18.5
71.04987	18.3
71.25187	3.4
76.31687	1.7
79.05471	8.8
81.07043	37.1
83.08601	6.9
85.06531	100.0
86.06853	1.8
87.04462	2.1
91.05466	8.9
93.07019	29.9
95.08590	46.1
97.06524	8.2
97.10119	2.6
105.07025	20.3
107.08581	46.3
109.10133	28.3
111.08059	4.1
117.07056	2.3
119.08530	16.1
121.10127	27.9
123.11694	7.2
125.09604	2.7
127.03919	2.2
131.08571	4.0
133.10112	13.5
135.11694	19.0
137.09641	2.4
137.13246	5.8
145.10146	7.5
147.11664	8.6
149.13243	14.4
159.11685	7.8
161.13220	19.5
163.11298	2.1
163.14809	20.2
173.13246	3.5
175.14793	6.8
177.12816	2.1
177.16415	5.3
179.14305	3.0
181.15851	20.2
187.14796	5.8
189.16325	10.4
191.17892	2.8
193.15855	6.4
201.16359	11.0
203.17928	11.2
215.17950	4.6
217.19572	2.7
219.17395	9.4
273.21957	2.3
297.25882	2.1
365.32129	2.2
383.33069	24.3
401.34052	32.8
402.34540	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	401.3045
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
55.05501	5.1
57.07069	5.7
58.47890	1.5
59.04988	3.4
67.05488	9.6
69.03397	3.8
69.07060	5.9
69.51329	11.7
69.51757	4.5
70.06586	1.8
79.05486	6.3
81.07037	17.3
83.08614	3.2
88.07642	2.5
91.05452	10.7
93.07021	16.4
95.08585	19.7
98.21525	3.0
105.07017	25.5
105.07687	3.0
107.08573	39.3
109.06511	1.6
109.10141	28.5
113.09637	2.2
116.69389	1.3
117.07009	5.0
119.08550	23.0
121.10125	100.0
123.03136	1.6
123.08058	4.1
123.11718	3.8
125.09610	2.1
127.03956	2.3
131.08548	12.3
133.10107	27.8
135.11667	26.7
137.13225	1.8
145.10094	18.2
147.11671	21.5
149.09595	3.2
149.13217	6.2
157.10143	4.4
158.84541	1.6
159.11681	20.2
161.13286	10.9
163.11166	11.6
163.14841	2.4
167.10637	6.0
171.11694	2.0
173.13254	11.2
175.11218	1.6
175.14798	8.2
176.89737	1.5
177.12794	4.9
177.16406	2.7
179.10658	3.8
180.49593	1.7
181.10135	1.5
181.10658	2.7
181.12178	21.5
185.13339	2.7
187.14780	22.5
189.16319	14.9
193.12178	8.7
195.13826	7.2
197.13293	2.1
199.14825	4.4
200.84027	1.6
201.16338	37.1
203.17963	12.0
205.15869	2.7
207.13826	1.6
207.17584	1.8
213.16246	3.6
215.17911	9.4
219.17410	6.1
233.18967	2.2
275.20068	4.7
312.72607	1.7
319.70410	1.5
339.34647	2.6
340.36118	2.4
343.26172	2.1
365.28342	8.9
383.29391	55.9
384.29712	4.9
401.30881	9.2
401.38254	9.5
402.39337	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	401.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	3.6
55.05507	11.5
57.07074	3.9
64.77354	1.8
65.03938	2.1
67.05486	15.7
69.07062	13.9
69.78990	16.4
71.04977	14.7
79.05489	25.1
81.07053	26.9
82.68980	2.0
83.08600	5.0
91.05463	42.9
93.07032	45.1
95.04970	13.0
95.08591	24.4
98.20706	2.4
103.05485	3.3
105.07014	100.0
107.08582	39.1
109.06505	60.8
109.10136	14.9
109.20876	1.8
111.08059	7.7
112.30757	2.0
115.05442	5.7
116.06252	2.5
117.06999	26.2
119.08566	86.2
121.06562	2.5
121.10123	22.6
123.08065	3.8
123.11669	3.9
128.06192	14.3
129.06985	17.8
130.07756	8.6
131.08553	70.4
133.09108	4.1
133.10115	80.6
134.10507	3.4
135.08049	16.3
135.11658	21.3
137.09593	7.8
141.06976	8.7
142.07770	28.7
143.08533	43.8
144.09293	8.8
145.10106	96.4
147.08044	8.0
147.11652	18.7
149.09560	7.3
153.06978	3.8
154.07607	2.7
155.08522	19.3
156.09344	23.8
157.10106	61.9
158.10925	11.6
159.08089	2.7
159.11679	32.0
161.09608	5.5
161.13251	3.5
165.06995	6.6
166.07829	3.6
167.08537	9.0
168.09308	8.5
169.10117	19.6
170.10883	11.3
171.11650	32.8
172.12497	5.1
173.13235	45.7
175.11137	2.8
175.14798	18.1
179.08536	12.3
180.09312	7.5
181.10063	16.2
182.10895	7.5
183.11678	25.9
184.12390	3.5
185.13130	15.0
187.14804	46.9
188.15176	3.1
189.12727	3.9
192.09258	6.2
193.10162	7.8
194.10875	11.1
195.11661	22.3
196.12404	5.0
197.13229	15.9
198.13858	2.5
199.14804	26.6
201.12703	7.2
201.16330	5.2
206.10938	7.9
207.11609	13.6
208.12453	6.2
209.13261	25.0
210.14026	3.9
211.14796	10.9
213.12770	5.8
213.46404	2.1
219.11613	4.8
220.12531	2.2
221.13208	16.5
222.13882	3.6
223.14778	10.6
225.16228	2.4
227.14221	3.0
233.13240	6.0
235.14671	5.1
236.15479	4.4
237.16286	10.1
239.17882	3.5
246.14070	2.9
247.14917	3.5
251.17928	5.4
253.19325	2.7
261.16339	4.9
262.17221	2.0
263.17868	6.5
265.19449	8.9
273.16406	2.2
275.17966	4.2
277.19360	3.3
291.17438	2.1
316.06595	2.1
343.24081	3.8
358.26291	2.7
383.26523	2.7
401.17764	4.2
401.28259	27.2
402.18423	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05504	2.9
56.05025	5.1
57.03431	0.7
59.40760	0.7
60.04512	2.7
60.05639	7.0
65.03927	1.4
67.05502	5.9
68.05017	1.1
68.76398	0.6
69.03415	1.2
69.07054	2.4
70.06581	100.0
71.05006	0.7
71.06917	2.9
71.29020	1.2
71.45823	0.7
72.08144	13.7
74.06076	3.6
79.05472	4.1
80.05020	3.4
81.03417	1.1
81.07047	3.3
82.06589	3.4
83.06066	1.0
83.08646	0.6
84.04492	14.2
84.08129	18.7
85.02885	2.8
85.04829	0.9
85.08468	1.2
86.06063	8.9
86.09692	91.1
87.05575	1.4
87.10015	2.1
88.03985	1.8
89.06032	1.1
91.05470	1.7
93.07030	2.2
94.06555	2.8
95.04945	1.6
95.06073	0.9
95.08578	2.8
96.04438	0.8
96.08113	1.9
97.02891	1.4
97.07642	1.1
98.06030	1.3
99.05516	0.7
101.07085	0.8
101.10722	0.7
102.05524	7.5
103.37479	0.6
105.07014	1.3
106.04957	0.8
106.06537	3.4
107.04946	1.0
107.07357	4.2
107.08585	2.1
108.08105	2.7
109.06484	0.8
109.10175	1.0
110.06012	1.1
110.07159	7.3
112.07584	3.3
112.08707	6.5
113.07100	1.9
114.05498	1.8
114.10281	1.3
115.08693	5.4
116.07072	13.1
118.11131	0.6
119.04945	0.7
119.08575	0.8
120.06622	0.7
120.08059	4.4
121.06470	1.2
122.07180	0.7
123.07995	0.9
124.11219	3.0
125.07060	1.1
126.05431	0.7
127.08662	3.0
128.11864	0.7
129.10223	9.9
130.04977	6.5
130.06482	0.8
130.09738	3.3
130.10623	0.8
131.08496	1.1
132.08102	1.0
133.09846	0.8
134.05949	0.7
134.09657	1.4
136.07559	3.6
137.09503	0.7
140.07069	2.2
140.08093	0.8
141.06474	0.9
141.10185	5.1
143.11803	0.9
145.02818	1.3
147.04341	0.8
147.07637	1.8
147.11620	0.9
148.06038	5.1
149.09601	0.9
152.07042	1.1
154.08607	1.4
155.08208	1.5
156.11308	6.8
157.10837	0.8
157.13341	1.8
158.09233	9.7
163.03860	0.9
169.09758	3.1
170.11681	1.8
171.07713	0.9
171.11244	1.5
173.09225	2.8
174.12849	0.7
175.11891	20.2
177.05403	1.9
181.04781	0.7
183.14941	3.0
185.09192	2.2
186.12213	0.7
187.10747	4.4
187.14404	1.0
189.12338	0.7
190.15842	2.6
191.08173	0.9
192.13739	1.1
193.13416	0.7
196.06000	1.4
199.10854	1.2
200.14287	0.9
201.12334	1.3
206.15358	2.7
208.16902	4.7
211.14348	1.8
213.08667	2.4
213.12364	1.1
217.11902	2.9
218.15376	14.2
220.16919	0.7
226.15364	1.9
226.17851	1.6
227.13837	2.1
228.17058	0.8
229.15404	1.0
233.14804	0.8
235.17935	0.7
236.16406	16.5
253.19081	1.3
254.15105	1.0
254.17462	16.5
255.17830	1.2
271.17587	6.0
272.18530	11.9
282.17941	0.8
288.15359	2.1
288.20126	0.9
312.19070	0.7
326.16882	1.1
330.20065	0.7
365.20886	0.7
366.18701	0.9
383.21808	5.3
384.19763	1.3
401.23154	97.1
402.23563	5.0
408.02679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05514	1.6
56.05031	1.9
57.03419	0.3
60.04507	0.4
65.03901	0.7
65.63709	0.3
67.05493	4.7
68.05008	0.8
69.03422	0.5
69.07053	1.0
70.06581	11.4
71.06920	0.4
71.26404	0.5
72.08154	2.2
74.06072	1.0
79.05489	2.6
80.05006	3.1
81.03389	0.4
81.07043	2.6
82.06575	2.5
84.03981	0.4
84.04491	6.9
84.05280	0.3
84.08131	3.0
85.02872	0.7
86.06063	3.1
86.09202	0.4
86.09692	3.9
87.04453	0.4
90.71603	0.3
91.05463	1.4
93.05789	0.6
93.07046	1.8
94.06557	1.8
95.04991	0.4
95.08594	1.4
96.04412	0.3
96.08110	1.3
97.10165	0.7
98.06051	0.4
102.05532	3.3
105.07011	1.2
106.06551	2.2
107.04900	0.4
107.07348	3.2
107.08574	1.3
108.08089	1.9
109.06515	0.7
110.06016	0.4
110.07149	0.8
110.09675	0.7
112.07569	1.1
116.07105	0.7
117.07051	0.5
117.19875	0.3
119.08570	0.7
120.08084	2.9
121.10085	0.3
122.09659	0.7
124.07571	0.3
124.11208	2.9
127.08701	0.4
129.10219	0.7
130.04991	3.8
131.08588	0.9
132.08060	0.5
133.10146	0.5
134.09634	1.2
135.08073	0.3
135.11671	0.4
136.07547	1.0
138.09142	0.7
140.07056	0.7
148.06033	3.4
152.10730	0.5
158.09267	0.3
161.09741	0.3
170.11739	2.0
173.09293	0.4
173.13187	0.4
180.17450	0.9
185.09195	0.3
187.10782	0.6
190.15923	2.4
192.13768	1.0
200.14397	0.6
201.12695	0.6
206.15372	2.3
208.13385	0.3
208.16978	3.8
215.13847	0.7
217.11775	2.0
217.16907	0.3
218.15361	12.1
219.13722	0.4
219.15639	0.4
224.16464	0.6
226.18011	1.1
235.18030	0.9
236.16417	15.4
248.48376	0.3
253.19041	1.4
254.17502	14.9
255.17833	0.5
271.20236	0.4
272.18536	11.9
273.18906	0.4
337.21005	0.4
355.22220	0.7
365.20557	0.9
383.21848	3.6
384.20169	0.7
401.22772	100.0
402.23117	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	400.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24293	0.4
55.01868	0.8
55.05495	0.8
56.05027	3.1
57.03426	0.5
60.04521	3.2
60.05639	1.3
61.02939	0.6
65.03933	1.8
66.16393	0.4
69.03408	1.9
69.07053	1.4
70.02941	0.7
70.06585	45.0
71.01365	0.5
71.05009	0.6
71.06907	1.9
71.67642	0.5
72.08147	8.8
74.02435	0.4
74.06074	1.9
76.91643	0.5
80.05000	0.7
81.03439	0.8
82.06590	0.5
83.06097	2.2
83.15602	0.4
84.04494	6.8
84.08132	11.9
85.02903	2.8
85.08460	0.7
86.06067	1.0
86.09695	8.3
87.04455	1.8
87.05593	1.3
88.03979	1.4
89.03866	0.5
89.43367	0.4
91.05471	100.0
92.05795	1.5
93.04513	0.5
95.06073	0.9
97.02873	4.0
98.03210	0.7
98.06055	0.5
101.07134	1.2
102.05545	4.4
104.05320	0.7
104.07101	2.1
106.04979	0.6
106.06546	2.7
107.04983	0.6
107.37191	0.5
108.08106	41.3
109.05129	0.6
109.08467	0.8
110.06004	0.6
110.07154	8.4
111.07484	0.7
112.07615	0.5
112.08715	1.9
112.66763	0.5
113.07118	0.7
115.08683	1.8
116.07090	2.5
117.03378	1.0
120.08096	1.9
121.11434	0.5
123.04401	1.5
123.05551	1.5
124.04060	0.6
125.07220	0.6
126.05508	0.9
127.04969	0.8
127.07784	0.5
127.08611	2.3
129.06584	0.9
129.10223	6.8
130.04950	2.4
133.02863	1.0
133.06068	1.1
133.80373	0.5
134.05978	3.1
134.09651	1.1
135.04395	4.7
136.06168	27.2
136.07466	1.5
137.06531	1.8
141.10219	1.5
143.11812	0.6
145.02835	1.9
147.04404	1.1
147.07663	1.5
148.06151	10.4
152.07053	2.3
154.67743	0.5
155.08171	2.2
156.07672	2.8
157.09738	0.6
163.03880	8.7
166.08652	0.8
169.09766	1.6
169.13327	1.3
173.09242	1.9
175.10640	0.9
175.11955	1.4
177.05441	1.4
180.61346	0.5
181.09702	0.8
186.12373	1.6
187.10768	3.8
197.10339	0.5
197.12796	0.6
208.10735	0.8
209.09172	0.8
214.11942	0.5
215.13928	0.5
223.10614	0.6
226.15387	0.7
227.10277	0.6
234.99075	1.3
237.02730	0.6
238.11113	0.6
239.99979	1.2
242.96280	0.7
244.12903	2.7
244.59027	0.5
250.09468	2.0
251.09608	2.9
254.17732	0.7
260.97351	1.3
268.10410	3.3
269.08182	0.9
280.10495	1.0
286.99115	0.7
301.99991	1.2
313.67795	0.9
314.98306	0.6
341.38629	0.5
383.00461	1.4
383.19189	0.7
400.14511	2.2
400.22974	4.0
400.74203	0.8
401.22720	2.4
401.28809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28550	0.4
55.05496	1.4
56.05035	2.4
57.03412	0.6
59.05009	0.4
60.04507	1.1
60.05627	0.5
60.88873	0.4
62.06071	1.4
67.05493	5.2
68.05009	0.8
69.03410	1.1
69.07052	1.6
70.02932	0.5
70.06581	21.6
70.07394	0.6
71.06895	0.7
71.08624	0.5
71.63972	0.5
72.08150	3.3
74.06063	1.6
74.09708	0.9
76.03961	0.8
79.05479	3.1
80.05013	2.9
81.03419	0.7
81.07051	2.7
82.06564	2.0
83.04947	0.6
83.06087	1.1
84.04493	16.1
84.08131	5.4
85.02875	1.9
85.06521	0.7
86.06057	3.2
86.09698	7.0
87.04434	2.2
87.05562	0.8
87.08080	0.6
87.10057	0.5
88.03973	0.8
91.05464	1.5
93.05762	0.5
93.07037	1.4
94.06556	2.3
95.01318	1.3
95.04983	0.7
95.08597	1.5
96.04485	0.6
96.08146	0.8
97.02892	1.4
98.06030	0.7
100.02197	0.9
101.07128	2.2
102.05539	2.5
104.07099	2.4
105.07005	0.9
106.06538	3.1
107.07350	3.0
107.08574	1.8
108.08086	1.4
109.06531	0.5
110.06010	0.6
110.07149	4.6
110.09701	0.6
112.07585	0.8
112.08711	0.8
115.08691	0.7
116.07058	1.8
117.03378	0.8
119.04913	1.1
120.08070	2.8
122.02765	0.5
122.09669	1.0
123.04420	1.2
124.11192	2.9
127.04037	0.4
127.08643	1.7
129.06601	1.9
129.10248	2.0
130.04982	14.0
131.08543	0.6
132.08072	0.6
133.06081	0.6
133.08847	0.4
134.05992	1.5
134.09637	2.5
135.04364	0.9
136.06158	0.9
136.07547	1.3
138.09125	1.0
140.07071	0.6
141.10213	0.6
145.02838	1.1
146.02635	0.4
147.04388	0.6
147.07599	3.9
152.07002	0.9
152.10706	0.9
155.08139	0.8
158.09248	0.6
161.09581	0.5
163.03897	3.7
165.05582	0.4
169.09776	0.5
169.13269	0.5
170.11734	1.4
173.09200	0.4
174.12822	0.6
175.11974	0.7
177.05449	1.6
180.13838	0.6
180.17458	0.7
181.12425	0.5
190.15891	2.5
192.13759	0.7
197.12900	0.8
200.14229	0.8
201.12303	0.7
202.49609	0.5
203.09660	0.4
206.15335	2.3
208.16908	5.2
210.14830	0.5
212.10298	0.6
215.07030	0.6
215.13953	0.4
217.16978	0.8
218.15366	10.4
219.13692	0.6
219.15822	0.5
224.16492	0.5
226.18069	0.7
230.11357	2.4
235.18051	1.6
236.16417	13.2
237.16873	0.5
238.17975	0.9
243.06508	0.7
250.09518	0.5
251.09779	0.5
253.19049	3.5
254.17480	20.7
261.07532	0.5
271.20099	0.9
272.18539	10.1
294.65436	0.4
295.23654	0.5
323.04095	0.5
324.69293	0.5
333.70206	0.8
339.23022	0.4
355.22256	1.8
365.20728	1.0
382.23230	1.6
383.21811	5.3
400.24353	100.0
401.24905	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	400.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05498	1.0
56.05015	1.8
57.03435	0.5
60.04509	1.1
60.05627	0.5
61.79115	0.2
65.03898	0.5
67.05493	0.5
68.05012	0.5
69.03414	1.1
69.07041	1.2
70.02937	0.5
70.06579	32.8
71.04971	0.6
71.06913	1.6
71.58481	0.4
71.98110	0.3
72.08140	7.3
73.02898	0.3
73.08508	0.5
74.06070	1.8
79.05466	0.5
81.03383	0.5
81.07045	0.3
83.04991	0.3
83.06081	0.5
84.04484	4.6
84.08130	7.9
85.02895	1.7
85.99924	0.3
86.09689	11.3
87.05580	0.6
87.10015	0.6
88.03962	0.8
90.05523	0.6
91.05460	18.2
92.05777	0.4
93.04482	0.3
93.07022	1.1
95.04951	0.5
95.06062	0.5
97.02853	0.7
97.07604	0.3
98.06029	0.5
101.07116	0.4
102.05525	1.5
103.05422	2.3
104.05253	0.4
105.07001	0.8
106.06561	0.3
107.04922	1.7
108.08128	0.3
109.06485	0.6
110.07151	5.0
112.08707	2.7
113.07091	0.5
115.05429	1.1
115.08653	1.5
116.07067	1.8
117.03352	0.6
117.05715	0.4
117.07380	0.4
118.06529	1.0
119.04919	11.7
120.08079	85.5
121.08434	1.2
122.06036	0.3
123.04365	0.3
124.07465	0.3
127.03864	0.5
127.08620	0.5
129.06573	0.3
129.10219	4.8
130.04976	1.1
130.06508	3.7
132.08052	2.8
132.10164	0.4
134.05997	1.3
136.07550	100.0
137.07906	1.2
141.06512	0.4
141.10188	1.1
142.06491	0.4
144.08054	0.5
145.02824	1.2
145.04857	0.3
146.05952	0.7
147.04375	1.1
147.07635	0.6
147.11174	0.3
148.06071	0.5
150.05583	0.4
155.08185	0.7
156.07613	0.7
158.09650	1.4
159.09116	2.5
160.07597	0.4
162.05536	0.5
163.03917	0.7
163.17560	0.3
167.08105	0.6
169.09653	0.5
169.13272	0.5
170.05980	4.8
171.11287	0.6
173.09235	0.6
177.05408	2.0
183.14925	0.7
185.10635	0.3
185.16470	0.5
187.10805	0.5
192.04761	0.5
195.11185	0.5
197.12837	0.8
199.10657	0.5
211.14355	0.5
212.10199	0.4
213.10233	0.4
220.16959	0.9
230.12923	0.6
237.09886	0.6
237.12270	11.8
238.05240	3.0
238.12277	1.2
238.17947	1.1
241.09756	0.4
241.12987	0.5
256.18961	0.8
261.14932	0.3
283.14352	48.4
284.14667	1.4
286.14584	0.3
311.13852	12.8
373.19855	0.3
382.17825	0.5
395.19980	0.8
399.71249	0.3
400.18866	0.7
400.22995	5.0
400.71100	2.6
401.23608	0.4
401.28525	0.7
423.72824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32414	0.5
55.05493	0.6
56.05015	2.1
56.41294	0.5
58.99575	5.1
65.03924	1.3
69.78252	4.2
70.06567	0.9
73.25940	0.7
76.02216	11.7
80.05005	0.9
81.74182	0.6
84.04491	40.0
85.02875	0.6
86.99039	4.4
88.03977	9.5
91.05465	100.0
92.05795	1.2
102.05515	0.9
105.00069	6.4
105.95391	0.6
108.08143	0.7
114.03744	1.1
116.03439	0.9
116.22708	0.6
122.02705	61.4
125.07108	2.2
130.04979	22.3
142.03197	7.1
153.06578	1.7
154.04970	3.7
163.98381	1.3
164.05299	0.7
169.74983	0.6
171.07626	6.6
184.02498	12.8
184.04073	1.1
188.03709	7.3
191.08089	0.8
199.07141	1.3
200.05507	3.5
214.62306	0.6
217.08154	11.4
220.17009	1.4
225.05176	2.5
234.00850	0.5
234.04329	3.7
238.17981	1.5
251.06918	7.2
254.03001	30.7
256.19196	1.2
271.05655	28.5
383.07318	0.8
399.70511	0.6
400.09833	7.8
400.24738	5.9
400.57721	0.6
400.74677	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	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.8
57.07059	5.2
59.04976	7.6
60.33373	2.2
61.39993	2.4
61.54961	2.1
67.05486	15.8
68.34440	2.2
69.07050	5.7
69.42990	17.4
69.43416	7.6
79.05476	12.5
81.07048	29.9
83.08617	3.3
85.06528	19.9
91.05463	14.5
93.07036	25.8
95.08593	34.8
98.20707	4.5
101.89609	2.1
105.07011	45.4
107.08581	26.6
109.06441	2.2
109.10139	29.7
115.37995	2.3
117.06982	6.4
119.07686	3.1
119.08566	54.2
121.10131	24.4
123.11673	6.4
131.08530	6.8
133.10112	33.6
135.11681	23.4
144.08067	100.0
144.09212	5.2
145.08380	3.7
145.10124	14.0
147.11661	24.5
149.13242	17.0
159.11679	15.2
161.10745	9.3
161.13228	72.0
163.11186	3.3
163.14774	8.0
171.11606	2.7
173.13280	10.8
175.14815	21.5
177.12825	3.7
177.16420	3.7
179.14308	7.4
185.13173	3.5
187.14787	3.9
189.16364	9.2
191.14357	4.4
193.15891	3.8
199.14810	2.7
201.16347	8.5
203.17892	11.0
207.17401	2.4
215.17880	3.9
217.19620	3.6
219.17429	12.2
227.17949	2.7
231.17473	3.1
291.82098	2.3
363.30829	3.2
381.31619	21.5
382.31500	3.7
399.32608	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	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	18.3
57.07083	6.6
67.05499	18.1
69.07055	21.6
69.97435	5.6
69.97845	3.7
70.06574	1.9
71.08614	4.2
79.05478	12.7
81.06574	2.6
81.07047	43.8
82.07394	2.1
83.04970	3.2
83.08604	7.8
85.06511	2.8
88.07631	2.3
91.05473	9.9
93.07032	36.4
95.08595	82.0
96.08954	1.6
97.06532	2.4
97.10135	3.6
99.04440	5.2
101.06010	8.3
105.07012	19.6
107.08581	52.6
109.06528	2.8
109.10148	41.3
111.11687	2.0
117.06969	1.7
119.00722	1.4
119.08569	26.0
121.10123	51.8
121.53425	1.6
122.10484	1.5
123.11690	9.6
129.05428	2.3
131.08546	6.0
133.10115	18.3
135.08054	4.0
135.11673	49.2
136.06198	2.2
136.12033	2.2
137.13220	5.6
145.10133	5.6
147.06494	2.5
147.11668	27.6
149.09642	2.5
149.13235	29.2
149.14371	2.6
151.14804	2.1
153.09105	3.3
154.79906	1.3
157.10124	2.1
159.11687	7.0
161.13228	14.4
163.11180	4.4
163.14803	8.6
165.12723	2.6
171.11647	2.1
173.13240	6.6
175.14862	6.8
177.12714	11.5
177.16425	4.1
181.12242	5.8
187.14830	2.4
189.12691	1.7
189.16394	12.4
191.14352	6.7
191.17920	100.0
191.54443	1.5
192.18336	4.2
193.12202	1.9
195.13770	20.9
201.16333	2.8
203.17963	17.8
205.19493	6.6
207.13766	15.5
209.15350	26.0
217.19514	18.4
221.15358	3.7
243.20912	1.6
257.22659	2.9
289.21487	2.0
303.23267	1.6
317.24612	1.8
329.24481	2.3
338.34155	3.7
381.31567	5.6
397.14105	1.3
399.28479	2.1
399.32578	59.6
400.32950	4.5
400.37875	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	399.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
55.05498	1.2
56.05024	3.2
57.03419	0.6
57.07052	0.8
57.87456	0.5
60.04506	1.6
60.05640	6.5
60.51238	0.5
61.02879	0.5
68.05001	0.9
69.03421	2.7
69.07050	1.2
69.86571	2.9
70.06582	65.7
71.04977	1.8
71.06908	1.3
71.08614	1.8
72.08144	10.1
73.02904	0.8
74.02437	0.9
74.06077	2.5
79.05492	0.9
81.03410	0.8
81.04490	0.6
81.07029	0.6
82.03828	0.5
83.04973	0.7
83.06074	1.3
84.04494	22.5
84.07671	0.8
84.08131	9.2
85.02901	3.2
85.04792	0.5
85.08454	0.8
85.10156	0.9
86.06022	1.0
86.09694	47.6
87.05591	1.0
87.10043	0.5
88.03974	0.9
88.07607	1.0
89.03890	0.6
90.05548	0.8
90.62572	0.5
91.05458	1.5
93.04496	1.2
93.07012	0.8
95.04939	0.7
95.06092	1.2
95.08606	0.5
96.04510	0.6
97.02873	6.5
97.07665	1.1
98.06042	1.0
99.04448	0.7
101.05986	1.1
101.07144	1.0
102.05542	3.5
103.05424	1.1
104.07092	0.6
105.07005	1.4
106.06562	3.0
110.07149	14.9
111.04422	1.1
111.07481	0.8
112.07570	0.8
112.07867	0.6
112.08714	12.2
113.07098	2.5
114.10271	1.4
115.08681	7.9
116.07076	21.3
119.04923	1.0
119.08570	0.8
120.08078	2.7
123.05451	0.5
125.02327	0.5
125.07101	0.6
127.03899	1.5
127.08643	2.2
127.79861	0.6
129.05540	1.1
129.06595	3.2
129.10222	5.1
130.05005	2.3
130.09775	3.1
131.04919	2.2
133.06415	1.7
133.09735	0.9
134.06006	3.5
135.04388	1.0
136.06163	6.0
136.07573	2.9
138.06599	0.6
139.08621	0.6
139.11136	0.6
141.06569	3.5
143.11823	1.0
145.02803	0.6
145.04950	1.0
147.04381	1.0
147.06555	1.4
147.07660	0.9
152.07031	1.7
152.10675	0.9
155.08144	1.9
156.07631	1.2
156.11319	2.4
157.10918	0.6
158.09229	20.9
158.10529	1.1
159.07715	0.5
161.05933	2.4
163.03864	5.5
163.06004	0.6
163.07550	1.5
164.07066	0.7
169.11810	0.5
169.13235	0.7
173.09190	0.7
175.11879	14.7
178.13272	1.3
181.09700	0.7
183.14853	0.8
185.11708	0.8
187.10910	0.5
193.08551	1.0
197.12828	17.7
208.14529	0.6
213.12352	1.3
221.13799	0.9
223.15614	1.5
225.12241	0.9
237.09041	0.6
244.12877	0.8
250.09377	4.2
251.15054	2.6
255.19583	0.6
269.12479	1.2
271.17603	1.1
286.15057	0.6
292.11456	0.5
298.09769	1.2
310.25482	0.5
311.20767	0.9
322.06934	0.5
357.21170	0.8
368.10199	0.5
371.24072	0.8
382.21228	2.5
382.25320	0.5
399.23453	100.0
400.24155	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	398.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74701	0.3
56.05020	1.2
58.07523	0.4
60.04517	5.4
61.32001	0.4
64.81807	0.4
68.05016	0.6
69.03401	1.3
69.07057	5.3
70.03309	2.1
70.06583	5.5
72.08144	1.0
73.02893	0.5
74.06065	0.5
81.04521	0.4
82.05299	0.6
83.06092	5.3
84.04475	1.5
84.08131	3.2
85.02870	1.2
86.09693	48.9
87.04426	0.5
87.05595	0.8
87.08100	3.5
87.10017	0.9
93.04511	3.4
95.06076	4.1
95.08556	0.7
95.40630	0.4
97.02879	2.3
102.05530	2.6
104.07064	0.6
105.09138	1.4
110.07148	100.0
111.05516	0.5
111.07476	1.7
112.03938	1.5
112.08738	0.7
115.03888	0.8
115.07603	0.6
115.08675	0.6
116.07028	0.5
120.08051	1.2
122.07090	0.5
127.03893	0.5
129.10228	1.4
130.04977	0.9
132.08083	0.7
133.15076	0.4
135.07962	0.5
136.06165	2.3
136.07545	0.6
138.06625	0.8
147.04283	0.6
148.61177	0.4
156.07660	84.3
157.08035	1.1
163.03891	1.2
166.06104	0.7
173.12874	0.6
178.13338	1.2
179.11836	0.4
197.12892	0.4
223.15514	0.9
225.12285	1.4
234.12344	0.5
244.64996	0.4
250.09325	1.8
251.14990	2.3
252.32729	0.4
269.16046	6.4
316.64764	0.4
320.30780	0.4
352.19806	0.9
362.18253	1.8
380.19302	5.0
398.20303	38.6
399.20282	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	399.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	4.5
57.03423	7.1
58.04766	1.4
58.72984	1.2
60.04507	3.3
61.02907	1.4
63.58815	1.4
69.03411	10.7
69.07056	100.0
69.95791	7.3
70.06582	22.2
71.08595	1.9
72.08124	3.9
72.81299	1.4
73.02896	9.3
74.06068	2.4
80.03571	1.3
81.03432	1.4
83.06091	2.3
84.04492	8.8
84.08123	8.6
85.02891	13.1
86.09695	17.6
87.04453	1.2
87.08089	79.9
87.10022	2.6
97.02876	23.3
101.05998	1.6
102.05524	4.8
105.09123	46.6
109.02888	1.3
110.07141	22.3
111.07446	6.0
112.08752	2.1
115.03927	8.0
116.07030	3.0
125.02338	1.6
127.03894	3.4
129.05478	1.3
129.06577	1.3
129.10208	3.7
130.04947	1.5
133.04977	1.4
135.04387	2.5
136.06163	11.0
145.04964	3.7
156.07649	12.2
157.08005	4.7
158.09221	3.1
163.03926	4.7
168.90558	1.3
175.11911	1.6
187.10600	1.5
197.12770	1.8
250.09305	12.9
254.69356	1.4
259.07974	2.1
269.16101	1.4
298.09637	2.3
371.23932	1.2
399.11990	2.1
399.20050	4.8
399.23575	5.6
400.24118	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.46076	1.3
55.01854	3.5
55.05489	3.9
56.05032	10.0
57.03428	30.3
57.23064	1.6
60.04496	5.6
61.01132	3.6
61.02909	14.9
69.03043	1.9
69.03418	34.0
69.06678	2.4
69.07056	55.8
70.06580	78.1
71.01340	4.3
71.04980	3.6
71.06905	4.0
72.08138	25.0
73.02905	68.1
73.49768	1.4
74.06054	4.9
79.05473	1.5
81.03397	6.0
81.07036	3.5
84.04492	24.9
84.08125	33.8
85.02890	100.0
85.08440	2.1
86.09692	42.3
87.04433	5.3
87.08071	1.3
87.10016	3.6
88.03972	2.9
91.03925	4.4
91.05455	5.1
93.07022	2.5
95.04926	1.6
95.08580	1.4
97.02873	54.5
98.05978	2.3
99.04417	6.0
102.05513	10.7
103.03925	2.0
103.05441	3.0
104.05299	6.3
105.01871	2.0
105.06988	3.5
107.04964	1.7
109.02855	10.6
109.10136	2.6
110.07133	12.7
111.04387	1.9
111.08057	4.1
112.08720	3.7
115.03910	50.3
115.07513	1.9
115.08647	3.0
116.07078	2.9
119.04887	2.6
119.08530	2.8
120.06583	1.6
120.08071	19.7
121.06435	1.8
123.04336	1.5
125.75613	1.6
126.05469	2.0
127.03893	31.8
127.08580	1.6
129.10223	20.8
130.04993	3.6
130.10574	2.2
131.04900	6.3
132.06502	1.7
132.08043	2.1
133.04947	17.0
136.07568	12.4
141.10143	2.5
144.06567	1.9
145.04938	60.3
147.04439	2.1
149.09622	1.6
150.07602	2.9
153.09010	1.7
156.07683	2.0
157.13336	4.0
163.03903	2.3
163.06004	42.8
163.07401	3.5
165.05440	2.4
173.09206	2.4
180.96140	1.6
182.08055	2.9
183.14806	2.6
185.12785	1.5
213.11156	2.6
223.05930	7.1
229.15512	2.1
230.11415	1.5
231.12178	7.5
235.13283	1.6
241.06979	10.5
250.09305	1.6
251.11986	6.6
255.95895	1.7
259.08102	12.8
279.11536	2.7
286.17606	1.6
295.10156	20.5
353.62491	1.7
398.16583	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	397.3096
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.27847	1.6
55.05505	13.8
56.29090	1.6
57.07067	3.8
67.05499	16.0
69.07060	16.3
69.47348	18.4
71.04963	3.2
71.08606	2.4
71.24007	1.9
75.23612	1.8
79.05493	17.2
81.06573	4.2
81.07046	65.2
83.04971	2.6
83.08602	6.5
85.06538	16.8
91.05469	11.8
93.07037	36.5
95.04959	2.6
95.08599	43.7
97.06529	1.7
97.10162	5.3
98.21533	3.7
99.04446	7.6
101.05971	4.6
105.07019	33.0
107.08582	49.8
109.06515	8.5
109.10150	25.9
117.06999	4.9
119.08557	41.3
121.10120	30.4
123.08034	2.4
123.11707	9.8
127.07563	9.0
129.07004	3.7
131.08583	12.0
133.10120	25.7
135.08052	2.9
135.11676	16.3
137.13210	2.2
143.08554	6.4
145.10110	28.1
145.60681	1.5
147.11670	19.1
149.09589	4.0
149.13231	20.2
156.09322	1.8
157.10115	11.5
159.11668	33.3
161.13258	17.0
163.10997	1.8
163.14809	15.6
167.10712	3.8
171.11682	13.0
173.13232	20.5
175.11163	2.5
175.14734	9.3
177.16443	3.0
181.12158	3.0
185.13248	8.3
187.14806	18.8
189.12766	2.1
189.16342	19.9
191.17842	4.9
193.12215	4.3
197.13295	2.2
199.14821	7.8
201.16379	11.1
203.17911	9.4
205.12354	2.5
207.13828	2.9
213.16367	16.6
215.14223	2.7
215.17886	14.4
227.17909	15.1
229.19604	4.5
233.15404	3.2
235.16859	3.8
241.19531	6.2
243.20985	3.9
247.17052	2.3
255.21048	4.3
257.22604	5.5
261.18622	2.5
263.20142	1.9
269.22675	6.0
271.24185	2.4
273.18573	2.5
280.45917	1.9
281.22467	2.4
283.24170	13.2
287.19955	2.4
301.21741	2.2
341.24942	3.1
372.07874	2.1
379.29810	5.0
397.30978	100.0
398.31458	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	397.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60620	1.9
50.60957	1.9
55.05492	8.9
57.07067	13.6
63.06696	2.3
67.05492	21.4
69.06757	2.5
69.07063	20.7
70.44860	2.1
71.08597	13.8
74.20817	2.4
79.05499	12.5
79.36011	2.0
81.07047	45.4
83.08604	10.9
85.10164	7.7
91.05488	16.5
93.07021	21.0
95.08595	41.4
97.10168	9.3
98.21503	6.9
105.07007	25.7
106.01468	2.4
107.08578	20.6
109.10144	30.8
109.91998	2.3
111.11726	5.4
119.08578	22.0
121.10139	14.1
121.57593	2.2
123.11675	12.3
131.08507	3.6
133.10086	15.5
135.11702	23.0
137.13303	5.8
139.99658	2.2
145.10123	3.9
147.11668	43.4
149.13214	12.3
151.14772	2.9
159.11641	4.3
161.13246	38.8
163.14804	6.7
174.14780	2.5
175.14781	13.2
175.40997	2.3
177.16356	4.3
187.14873	3.2
189.16408	7.0
201.16434	3.5
203.17966	7.8
215.18010	5.7
217.19641	3.5
219.14220	2.4
221.29285	2.4
229.19528	3.0
229.79465	2.8
243.21083	7.8
257.22763	4.6
275.27502	3.0
286.89069	3.0
287.27243	4.0
315.30475	3.2
348.26318	2.8
397.38278	100.0
398.38849	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	396.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	31.3
59.05005	2.9
67.05484	2.4
71.08622	33.2
71.11392	6.8
71.64096	2.3
73.06540	4.3
78.31002	2.4
81.07011	3.0
83.08595	4.2
85.10162	30.8
89.06015	100.0
99.11688	2.4
107.07072	5.8
107.08526	2.8
111.45103	2.3
130.08623	3.5
131.78818	3.0
133.08572	57.1
151.09618	5.6
160.31943	2.3
175.31549	2.5
177.11182	14.2
185.18935	5.2
195.12204	2.6
229.21591	13.9
239.14848	35.9
273.24271	3.8
335.27542	2.9
379.30518	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01114	0.9
55.01875	1.3
55.05505	1.9
56.05020	10.3
57.03437	1.8
58.06586	1.2
60.04515	14.6
60.05628	1.5
61.01137	5.2
68.05010	1.4
69.03421	5.8
69.07059	1.6
69.28976	8.9
69.29398	2.5
70.02937	3.1
70.06580	72.0
71.04976	1.2
71.99522	0.9
72.04475	1.1
72.08144	11.4
72.93775	4.7
73.08480	1.3
73.45406	0.8
74.06066	7.5
79.05468	1.6
81.03413	2.7
81.04502	1.3
82.05318	1.0
82.06564	1.2
83.06088	7.5
84.04492	18.2
84.08128	32.4
84.42213	1.0
85.02898	8.5
85.08477	1.2
86.06060	2.4
86.09693	18.8
87.04462	6.1
87.05574	6.5
88.03975	10.8
88.12961	0.9
88.99435	0.9
89.03897	8.9
90.94828	5.3
91.05464	7.1
93.04505	5.1
95.06081	7.1
96.04464	2.0
96.88625	1.0
97.02866	7.4
97.07639	1.1
98.02409	2.8
98.06036	3.1
99.05567	3.5
99.09232	1.0
100.07577	6.0
101.00869	2.2
101.07133	4.4
102.05520	4.5
102.94833	1.4
104.05297	6.9
104.07095	7.9
104.96366	1.2
106.04971	1.6
106.63136	0.9
107.04945	5.9
108.95847	2.3
109.02864	2.5
110.07148	89.0
111.05532	1.3
112.08727	6.1
113.07106	2.3
114.05484	2.1
114.09138	3.9
115.08675	3.7
116.07059	4.0
117.03355	8.7
119.01916	12.4
119.04938	5.4
120.08095	7.6
121.06496	1.4
122.07147	2.3
123.04419	1.5
123.05501	2.4
124.03909	1.4
124.04931	1.3
125.07090	1.2
126.05502	1.5
127.03896	2.5
127.08604	1.3
128.96342	1.5
129.06567	2.8
129.10220	15.5
130.04993	6.6
130.08624	4.0
131.01898	6.3
131.04880	1.5
132.10178	10.1
132.95816	17.4
133.03172	4.4
133.06073	2.7
135.04393	23.8
136.04848	1.3
136.06158	4.3
136.07574	32.8
136.08656	3.7
137.02924	3.3
137.07906	3.9
138.06621	3.0
140.07103	1.4
140.08167	1.5
141.06593	2.6
141.10229	1.5
142.03455	1.3
143.01910	1.6
144.06386	1.1
144.95842	5.5
145.02663	10.6
145.04938	0.9
146.97298	2.5
147.01357	1.3
147.04405	4.9
147.05511	1.0
147.07632	3.7
147.11246	2.1
148.98865	1.2
149.02924	1.5
150.05748	7.4
150.96883	10.7
151.06215	1.2
155.01924	2.6
155.08144	1.3
155.09245	1.5
155.97420	1.3
156.07652	11.7
157.03462	2.0
157.09714	11.0
158.97388	8.7
159.07623	11.4
160.07693	1.6
160.95273	1.9
161.02933	6.0
162.96858	6.6
163.03870	100.0
164.04289	4.6
165.04219	1.3
166.06105	1.1
167.09305	1.2
168.95821	4.6
170.97366	5.1
173.02905	5.6
173.09195	1.2
174.96913	8.9
175.00668	1.3
176.08096	1.0
176.98460	7.2
178.06111	1.8
178.08531	1.4
178.13329	7.3
181.10818	3.1
182.08058	1.2
183.05118	2.1
185.00945	2.6
185.02927	3.0
185.09178	5.4
186.96887	12.8
187.07143	3.0
188.98386	4.7
189.04076	2.1
191.03880	1.3
193.01578	6.5
193.03339	1.9
195.05066	1.8
195.08777	3.1
195.11302	1.4
198.96834	13.7
200.98485	1.8
203.02005	1.8
203.03931	2.3
204.97903	3.0
206.97658	1.7
207.05095	1.9
209.06538	1.3
209.10376	8.0
209.13876	1.4
210.96872	4.8
211.04527	1.2
213.12315	18.0
216.09882	2.2
216.97879	11.5
217.01796	2.6
219.05101	1.8
221.02933	59.9
221.04826	2.6
222.03125	3.8
223.02640	1.2
223.04576	2.5
223.10780	4.4
223.15517	8.6
224.98550	1.2
225.06125	2.1
228.97913	3.0
233.03029	1.2
234.96864	1.4
234.98976	24.9
235.02699	3.0
235.04802	6.2
235.14255	1.3
236.14514	1.2
237.06116	1.3
237.09926	1.5
237.13454	1.1
239.03998	18.1
239.10194	1.7
240.04108	1.3
242.14900	1.4
243.13475	1.3
244.04443	1.9
247.04579	16.7
248.11259	1.1
249.06032	1.9
249.09843	1.6
251.15062	12.7
252.97932	3.9
253.05544	6.1
254.12566	1.4
257.02713	1.5
257.05109	3.0
258.00562	1.3
260.16034	1.8
261.06216	1.4
263.03970	2.9
263.07715	1.1
265.05545	6.2
266.12433	2.8
269.11447	1.7
269.16006	1.2
270.99091	1.7
271.02768	1.1
271.06628	2.2
275.04004	8.2
277.00000	43.5
277.02914	2.3
277.05429	3.9
281.02234	1.1
281.05090	4.4
282.14432	1.5
283.06583	2.3
288.99988	3.5
289.05643	1.3
293.04974	4.3
295.06430	6.2
299.06146	5.4
301.01804	2.3
307.00989	3.9
307.06937	5.8
308.17218	1.5
309.04559	1.8
310.17346	1.3
311.06128	3.6
313.07312	1.7
318.02618	1.3
318.99146	1.7
319.02957	35.9
320.03177	3.0
325.07562	4.1
335.06113	1.4
337.05743	13.0
343.68057	1.1
355.04956	1.3
355.08792	8.1
361.19730	1.3
362.18213	2.0
365.07111	2.2
367.08655	1.2
373.09720	16.1
379.15952	1.7
379.20679	2.8
397.02148	2.1
397.09875	7.7
397.21365	28.5
397.25247	3.7
397.35269	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	394.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05508	6.0
56.05018	2.2
57.05805	1.0
60.04522	1.1
61.01138	0.8
67.05489	1.0
68.05002	0.5
69.03414	1.3
69.07050	2.4
70.02945	0.7
70.06581	22.4
71.04990	0.5
71.06903	1.2
71.19163	1.0
72.08142	70.0
73.02885	0.5
73.08477	1.3
74.06068	1.7
79.05482	1.0
81.03413	0.5
81.07037	1.1
82.06577	0.5
83.06092	1.8
84.04488	5.0
84.08129	9.2
85.02890	1.6
86.09692	100.0
87.05569	1.9
87.10016	2.8
88.03983	1.5
90.05534	0.6
91.05449	2.1
93.07008	0.9
94.06561	0.8
95.04955	0.7
96.04453	0.6
96.08118	0.7
97.02878	0.7
97.06516	0.5
98.02404	0.6
98.06020	0.7
99.04468	0.5
100.07659	0.5
101.07152	0.7
101.10787	0.5
102.05520	1.4
103.05440	0.5
104.05322	0.8
105.07019	1.4
107.08563	0.7
108.08105	1.1
110.07146	4.3
110.83379	0.4
112.08727	1.2
115.08688	1.2
116.07096	0.5
119.04885	2.0
119.08516	0.6
120.06646	0.7
120.08084	17.9
121.08439	2.3
122.09624	0.5
123.04407	1.8
124.11221	0.6
129.10208	4.9
130.04974	1.4
130.06502	0.6
130.08612	0.6
130.10529	0.5
132.06195	0.6
132.08087	0.5
133.10065	0.6
136.07559	9.1
137.05956	1.7
138.06345	0.9
141.10197	0.5
147.04388	2.4
147.07623	1.1
147.11223	0.8
156.07681	0.8
159.09148	1.3
163.03658	0.4
165.05463	2.8
166.08574	1.0
167.08975	0.8
170.06038	0.7
173.12808	0.6
175.08699	0.5
177.05513	0.5
179.10583	0.5
182.08099	6.5
182.12840	0.7
183.08488	0.5
183.14867	0.5
184.11568	0.5
185.16464	54.6
186.16743	1.8
191.08101	0.8
197.11690	1.5
200.13892	0.9
201.12224	0.6
201.90530	0.4
213.15948	33.4
214.16055	1.4
220.16896	1.2
221.00256	0.5
230.07452	0.5
233.16534	3.0
238.18034	2.4
240.19510	1.3
244.16328	0.7
246.09474	0.5
254.97844	0.5
255.11058	0.7
261.15924	1.8
273.12268	1.3
281.11227	2.0
281.14844	3.8
295.16357	1.6
304.19315	0.9
307.12750	0.7
312.70218	1.3
313.20242	0.5
352.93604	0.5
376.12030	1.0
385.19797	2.2
385.70209	0.8
387.22256	0.5
393.73187	2.3
394.14053	0.5
394.22211	2.2
394.69806	0.7
394.74188	0.8
395.13699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
54.53766	1.0
55.01862	2.9
55.05503	14.7
56.05032	5.3
57.03430	2.4
58.06584	5.6
61.02917	2.1
65.03932	2.6
67.05488	14.2
68.05003	2.1
69.03411	4.7
69.07063	10.9
69.65397	2.6
69.65813	5.6
69.72084	1.0
70.06580	100.0
71.04977	2.2
71.06902	4.7
72.08143	18.7
73.08455	1.4
74.06057	4.2
79.05481	8.4
80.05025	1.7
80.05750	1.3
81.03382	2.1
81.05771	1.1
81.07043	17.7
82.06561	6.3
82.07359	3.1
83.04963	2.5
83.07369	1.2
83.08596	3.9
84.04493	7.3
84.08135	16.6
85.02892	8.0
85.06522	1.7
85.08441	1.0
86.06055	1.5
86.09690	26.6
87.05579	1.4
88.03975	2.1
89.03902	1.8
91.05469	14.2
92.05824	1.8
93.07033	8.5
94.06554	3.9
94.07405	1.1
95.04952	3.8
95.08597	13.3
96.04471	1.6
96.08112	9.2
96.08916	1.4
97.02834	2.6
97.06500	3.4
97.10145	2.6
98.06042	1.1
98.09674	2.1
102.05539	2.6
103.05467	2.7
104.05280	1.9
105.03359	2.8
105.07008	8.0
106.04994	1.3
106.07368	1.1
107.04945	3.4
107.07353	1.7
107.08565	6.7
107.67876	1.0
108.08136	8.1
109.02853	2.4
109.06462	1.7
109.10128	4.5
110.06015	1.5
110.07148	9.4
110.09653	4.1
110.10364	1.2
111.04432	2.1
112.07612	1.1
116.07079	2.4
117.03352	3.3
117.06941	2.7
119.04913	4.2
119.08587	5.2
120.08076	16.5
120.08919	1.4
121.02822	1.5
121.06456	2.2
121.10107	4.4
122.06037	1.4
122.09633	3.7
123.04395	6.1
123.07997	1.5
123.11680	1.8
124.04710	1.5
124.11214	2.7
125.09580	1.8
126.08269	1.2
127.03880	2.7
127.08598	1.8
128.10713	2.0
129.06950	1.8
129.10231	8.0
130.04961	2.0
130.06451	2.1
130.08623	1.2
131.08537	4.7
132.08066	1.7
132.10176	2.0
133.06039	2.0
133.10109	4.3
134.09610	2.0
135.04362	7.0
135.07986	1.8
136.07549	7.5
137.02281	1.3
137.05943	10.9
139.03879	7.6
140.10657	1.5
141.06963	1.7
142.03246	1.6
143.08446	2.5
144.08009	1.5
145.02815	5.7
145.10077	3.6
147.04399	17.8
147.07875	1.0
147.11597	2.5
149.02306	4.3
149.09627	1.8
150.02666	1.4
151.07553	2.3
152.14374	1.1
155.08493	1.1
156.07715	1.6
157.06505	1.6
157.10086	1.6
157.13368	2.8
159.08006	4.0
159.11604	1.5
161.05927	3.3
161.09625	2.3
163.03877	43.8
163.11098	1.6
164.04175	2.3
166.08600	2.0
167.08348	1.4
171.07985	1.3
173.05896	2.3
173.09567	1.3
173.12918	3.0
175.03908	2.6
175.11023	1.1
177.05411	5.1
178.05803	1.6
179.10593	1.4
181.04892	3.1
185.07204	2.0
185.09570	1.3
185.12964	2.6
187.07573	2.5
189.09058	2.5
194.18983	1.8
194.24712	1.5
197.09584	1.8
198.06709	1.7
199.07584	1.3
201.12312	1.9
202.15964	1.6
213.09030	4.9
215.13885	1.2
217.15837	2.6
218.15384	3.3
219.15703	1.1
220.16925	18.1
221.17278	5.0
222.15010	1.5
222.18492	27.5
223.18845	5.4
236.16429	3.7
238.17976	39.4
238.68109	15.6
239.18552	20.9
239.68730	1.5
240.19556	78.1
241.19897	13.0
243.10158	2.4
245.18655	1.4
246.17796	2.8
246.68028	1.6
247.18559	2.6
247.68520	2.1
248.19405	3.0
250.17783	1.4
254.17484	1.6
256.19073	14.7
257.19293	6.2
258.20581	1.4
259.18311	1.2
271.67569	1.8
272.18549	3.0
273.11215	5.6
276.07477	1.2
277.16962	1.3
298.21210	1.6
299.69339	1.6
300.68033	3.8
314.69821	4.5
315.20193	2.6
316.18454	1.2
319.69907	1.3
320.20175	2.4
320.69745	1.3
321.19577	1.5
328.70062	6.1
329.20862	2.9
351.12241	2.2
353.14090	1.1
354.14679	3.2
378.70337	1.3
379.15262	1.4
386.70676	2.1
387.21649	5.8
387.70953	1.5
388.21707	1.5
395.71024	15.9
395.77972	1.4
395.91483	2.2
396.21957	35.2
396.27402	2.1
396.72290	15.7
396.77353	2.1
397.16455	16.2
397.21909	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01883	0.5
55.05504	5.1
56.05024	3.8
57.05799	0.8
58.06615	0.4
60.04519	2.7
60.05654	0.6
61.01141	0.9
67.05503	1.1
68.05021	0.8
69.03424	1.0
69.07056	1.1
70.02957	0.6
70.06583	23.6
71.05003	0.6
71.06924	1.2
71.76470	0.4
72.08145	52.6
73.08487	1.0
74.00659	0.5
74.06070	4.1
79.05494	0.8
81.03386	0.8
81.07044	0.4
82.06572	0.7
83.05014	0.4
83.06089	0.8
84.04494	14.2
84.08133	25.0
85.02901	1.8
85.04865	0.5
85.08463	2.4
86.06088	0.5
86.09695	13.3
87.05576	1.6
87.10043	0.5
88.03970	2.5
90.05521	0.7
91.05463	4.0
93.07042	1.8
94.06590	0.4
95.04977	0.7
95.06060	0.8
95.08584	0.7
96.04469	0.5
96.08129	0.4
97.02907	0.6
97.06518	0.4
97.07674	0.5
98.06014	0.6
99.04410	0.5
101.07124	0.9
102.05529	4.9
103.05448	2.3
104.05310	2.1
105.06986	0.4
106.05019	0.5
107.04939	0.5
109.06504	0.4
110.06042	0.5
110.07155	6.8
111.07425	0.4
112.02154	0.4
112.08718	1.4
113.07127	1.9
115.08694	1.3
116.07124	1.0
119.04912	3.2
120.08089	100.0
121.08422	3.6
123.04391	1.0
123.08073	0.6
125.05967	0.5
125.07134	0.4
127.03882	1.2
129.06535	0.4
129.10223	15.2
129.24075	0.4
130.04996	3.5
130.06508	0.9
130.08604	1.0
130.10631	1.9
131.04958	0.4
131.08249	0.4
132.10191	0.5
133.06139	0.4
135.04399	0.8
136.07558	10.5
137.05951	1.5
137.07880	1.7
138.06421	0.5
138.09103	0.8
139.07552	1.0
139.08620	0.6
141.06619	0.6
141.10196	0.5
143.08183	0.5
145.42395	0.4
146.06227	0.4
147.04420	4.4
147.07675	1.1
147.11319	0.8
148.04918	0.4
148.06024	7.2
155.08160	1.3
156.07693	0.8
157.09636	0.4
158.09372	0.5
159.07697	1.4
159.09068	0.4
161.09373	0.5
162.07709	0.5
163.03888	1.6
164.11813	0.5
165.05484	1.7
166.05898	0.8
166.08595	1.2
167.06999	0.7
169.13245	0.4
172.10918	0.5
173.09238	1.2
173.12885	0.8
175.11880	0.8
177.05478	0.5
180.97911	0.5
182.08162	2.1
183.11317	0.5
183.14917	0.4
184.09673	0.8
185.16484	1.1
186.12660	0.7
195.11346	0.4
197.11719	0.9
205.09882	0.8
205.13312	0.4
207.08005	0.7
208.10823	0.4
209.01154	0.4
210.98967	0.5
212.10023	0.5
213.15894	0.7
217.08049	0.5
218.97392	1.1
219.14905	31.3
220.15215	2.2
226.15292	0.5
227.11740	0.5
228.10236	0.5
233.14821	0.5
246.18115	0.5
247.14412	15.7
248.14708	1.0
249.12224	0.5
254.97894	2.2
255.01787	0.6
255.11226	1.7
260.08612	0.7
261.09824	0.8
273.12350	0.7
275.16165	0.9
280.17477	0.9
280.99649	0.5
295.12872	11.3
296.13174	0.6
326.99939	1.0
328.60757	0.4
352.97858	0.8
361.70505	1.1
376.12421	1.5
377.13501	0.6
384.70831	5.7
384.81308	0.4
385.20892	2.2
385.70935	0.7
394.14084	1.1
394.20203	0.9
394.24838	0.6
394.34787	0.4
395.15125	1.4
395.19720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.6
57.03421	4.5
57.07066	30.5
64.62840	0.4
67.05173	0.7
67.05495	10.2
69.07060	5.5
70.85761	1.3
71.08618	23.2
81.06578	0.8
81.07039	13.8
83.08136	0.9
83.08601	10.1
85.06519	0.6
85.10166	12.6
89.06027	0.7
95.08588	21.6
97.10141	5.5
98.98448	53.0
99.11702	0.7
109.10136	9.7
110.10506	0.4
111.11705	1.5
116.99477	2.0
119.08659	0.4
121.48090	0.4
123.11684	5.2
125.13234	1.6
126.85033	0.5
134.04356	0.4
137.13206	2.4
139.14787	0.7
140.01006	0.7
151.14807	1.2
155.01013	100.0
156.01347	1.0
165.16336	0.5
173.02051	0.5
189.27846	0.5
196.03677	1.2
221.22581	1.0
239.23636	10.1
240.24054	0.8
246.50841	0.5
393.23807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07866	0.8
53.03930	2.1
55.05506	9.2
57.03428	5.7
57.07070	34.9
58.07393	0.7
65.03931	1.6
67.05497	18.6
67.05858	0.6
67.96944	0.8
69.03412	1.1
69.07064	10.2
70.00600	2.8
70.01025	1.7
71.04962	1.1
71.08228	1.4
71.08622	24.0
71.97231	0.7
77.03898	0.9
79.05486	9.2
79.05925	1.3
80.53266	0.7
81.03442	0.7
81.07043	28.5
83.04958	1.7
83.08607	11.5
85.06521	1.0
85.09721	1.1
85.10174	14.2
91.05472	10.5
92.89304	0.8
93.06486	1.1
93.07039	19.0
95.04951	13.3
95.08598	35.8
97.06510	2.5
97.10149	5.8
98.98453	55.0
99.04103	0.8
99.08069	1.0
103.05453	1.3
105.04541	1.0
105.07021	19.5
107.04943	1.0
107.08578	12.1
109.06512	4.6
109.10142	17.3
111.11722	1.3
112.99991	1.3
115.05444	1.5
116.99453	1.4
117.06997	3.8
119.08562	18.3
121.06502	4.5
121.10144	8.2
123.08044	2.0
123.11678	8.2
125.13226	1.3
128.06204	2.0
129.06976	4.1
130.07794	1.7
131.08553	8.1
133.10118	12.6
135.08022	1.8
135.11652	5.3
137.13242	2.8
139.14777	1.0
141.06982	2.2
142.07776	4.6
143.08566	7.4
144.09294	2.7
145.06508	1.1
145.10106	16.3
147.07967	0.9
147.11700	5.0
155.01022	100.0
155.08536	2.8
156.09302	2.6
157.10121	13.6
158.10805	1.7
159.08035	1.4
159.11711	11.9
161.09647	3.8
161.13257	1.6
163.11174	1.8
167.08528	1.5
168.09230	1.0
169.10089	5.4
170.10890	2.5
171.11690	6.0
172.12329	1.0
173.13239	5.3
175.11113	3.3
175.14828	4.3
179.08578	1.2
181.10077	3.0
182.10841	1.6
183.11650	2.9
185.13255	2.8
187.11194	2.0
187.14845	3.4
193.10091	1.9
194.10811	1.3
195.11693	2.3
196.03671	1.3
197.13252	4.1
199.14832	2.5
201.16376	2.8
207.11705	1.5
209.13258	3.5
211.14832	2.2
213.16298	1.3
221.13252	1.1
221.22711	1.2
223.14682	2.4
225.16258	1.8
227.14314	1.3
235.14795	1.4
239.23656	13.2
253.15858	1.5
253.19676	1.0
265.19473	1.4
275.17850	1.0
281.19064	1.2
283.20309	1.1
304.26242	3.0
375.26703	1.5
393.23578	1.8
393.27823	2.1
394.29379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2127
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
53.03938	0.5
53.76151	0.4
55.01877	0.8
55.05510	2.6
56.05031	5.9
57.03419	1.1
57.05804	0.5
58.06593	0.4
60.04514	4.5
60.05632	1.1
61.01147	0.9
67.05502	2.7
68.05021	0.7
69.03414	2.7
69.07060	6.4
70.02937	1.0
70.06581	59.2
71.04983	3.0
71.06902	2.6
71.08616	0.5
71.12026	1.1
72.08144	19.0
72.77528	0.4
73.02927	0.7
73.08468	0.7
74.02434	1.8
74.06070	4.3
74.09701	0.5
75.46313	0.4
76.04020	0.6
79.05473	0.7
81.03416	2.2
81.07046	1.9
82.06560	1.1
83.04975	0.8
83.06099	1.6
83.54697	0.5
84.04493	13.5
84.08131	57.6
85.02899	3.5
85.03986	0.4
85.06517	1.1
85.08482	1.6
86.09692	86.3
87.00816	1.2
87.05587	4.9
87.10035	1.7
88.03973	3.0
90.05537	0.5
91.05468	3.0
93.07037	1.6
95.04985	1.3
95.06113	0.5
95.08628	0.5
96.04505	0.5
96.08132	0.6
97.02889	1.5
98.06048	1.1
99.04442	1.3
99.05570	0.5
101.07149	1.5
101.10760	2.0
102.05505	5.3
103.05443	3.4
104.05314	1.6
104.07108	0.6
105.01850	1.4
106.04983	1.5
107.04935	1.3
109.02853	2.1
109.06491	0.7
109.10140	1.8
110.05992	0.6
110.07153	8.9
111.07497	0.5
111.09200	0.8
112.03882	0.4
112.07575	1.1
112.08711	2.3
113.07109	0.9
114.09119	0.5
115.05093	0.6
115.08701	1.6
116.07088	4.2
119.04948	2.4
120.08085	100.0
121.06519	0.4
121.08447	2.5
122.03637	0.6
122.06023	0.4
123.04413	1.0
125.05988	0.6
125.09508	0.6
126.05496	0.7
127.03876	3.9
127.07510	0.9
127.08650	1.3
127.11176	3.0
129.05489	0.7
129.06564	0.8
129.10222	37.2
130.05002	3.4
130.08620	1.3
130.10580	1.3
131.04950	0.6
131.11806	0.6
132.08080	0.6
133.06064	14.5
134.05956	0.5
135.04413	1.3
136.04630	0.5
136.06151	0.9
136.07555	6.9
137.05959	15.5
138.05458	0.7
138.06563	0.5
138.12816	1.0
139.07527	0.9
139.08620	1.1
140.04626	0.6
140.08141	1.0
141.06503	0.6
141.10172	1.4
142.12997	0.4
143.08167	0.6
144.08089	0.7
145.02785	1.2
145.12218	1.8
146.05995	1.1
147.04395	2.4
147.07623	1.8
147.11264	1.4
148.06044	1.1
151.03865	0.8
155.06973	0.8
155.08176	1.3
156.07690	1.9
157.09689	0.7
157.55490	0.5
159.09117	0.8
159.11353	0.5
161.09238	0.7
163.03859	2.7
164.04308	0.5
164.07269	0.6
165.05437	0.7
166.08624	1.7
169.09650	1.1
169.13336	2.2
170.05969	0.6
171.11250	0.6
173.12906	1.1
175.11932	1.3
177.05377	1.0
177.10123	0.5
179.06879	0.9
179.10684	0.7
181.09566	0.5
181.13379	0.6
182.08102	0.9
183.11203	1.0
183.14854	2.9
184.09724	0.6
184.15195	0.5
185.05635	0.4
185.09207	1.4
185.16420	0.6
187.07294	0.5
187.10753	1.6
188.07024	1.9
189.08768	0.7
197.08150	0.5
197.12891	0.8
199.08781	0.9
199.10669	0.9
200.09352	0.6
200.13982	0.5
203.08150	0.6
203.10333	0.8
205.09720	1.2
210.16005	0.7
210.99156	0.5
211.14293	0.8
217.97469	0.5
219.14877	1.5
224.17603	0.5
226.11826	1.5
227.08125	1.6
228.17014	2.9
230.11411	0.6
231.04962	1.4
233.16454	47.9
234.16794	1.6
237.13155	0.5
241.09717	0.9
243.07549	0.5
245.13232	0.6
246.14508	3.5
247.14468	0.9
254.15132	0.7
254.97881	1.1
255.07535	1.6
259.08173	1.5
261.15952	20.7
265.15329	0.9
269.08987	1.3
273.12167	0.6
297.08612	1.3
315.09552	2.3
327.00168	0.6
330.10342	1.2
343.09143	0.9
347.12997	0.9
352.98163	0.6
358.11169	0.7
358.20279	2.2
361.20282	0.5
375.11771	8.7
376.11761	1.1
376.18420	0.6
384.20743	2.1
384.71072	1.3
392.73877	1.0
393.07565	0.8
393.13229	4.6
393.25262	9.5
393.72803	1.1
394.13901	0.6
395.36722	0.5
398.73083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01849	0.5
55.05506	2.0
55.10107	0.2
56.05025	2.6
57.03415	0.6
57.05809	0.4
58.06574	0.5
60.04502	1.4
61.01126	0.7
67.05499	0.5
68.05004	0.5
69.03409	1.2
69.07057	1.3
69.43642	2.3
70.06580	22.2
71.04981	0.4
71.06911	1.3
72.08143	19.4
73.02888	0.4
74.06056	2.1
76.03980	0.2
79.05486	1.4
81.03401	0.7
81.07032	0.8
82.06569	0.4
83.06087	1.3
84.04491	6.6
84.07627	0.6
84.08130	10.2
84.92149	0.2
85.02898	2.1
85.04007	1.0
85.04802	0.2
85.06525	0.3
85.08465	0.5
86.09691	18.7
87.05565	1.0
87.10014	0.9
88.03982	1.4
90.05563	0.4
91.05470	2.0
93.07034	0.7
94.04155	1.1
94.06550	0.6
95.04932	0.7
95.08607	0.5
96.08115	0.7
97.02869	0.7
98.09660	0.3
99.04396	0.3
100.07593	0.3
101.07119	1.1
102.05510	2.5
103.05424	1.3
104.05315	0.8
105.01826	0.3
105.07055	0.7
106.04980	0.6
107.04941	3.8
107.08587	0.5
108.08112	0.6
109.02872	0.5
110.07142	3.8
110.09639	0.4
112.08703	0.5
113.07126	0.4
115.05467	0.3
115.08662	1.2
116.07076	1.1
117.05727	0.4
117.08456	0.3
117.10233	0.3
119.04890	0.6
119.08549	0.2
120.08083	25.8
121.08451	0.7
122.03621	3.9
122.09624	0.4
123.04410	0.6
127.03914	1.1
129.06592	0.4
129.10219	7.1
130.04977	1.7
130.06503	1.1
130.08551	0.6
131.04877	0.5
132.08055	2.3
132.10178	0.7
133.06047	1.5
133.10153	0.3
135.04367	1.3
136.07573	2.6
137.05954	100.0
138.06306	1.8
138.09106	0.8
140.04665	5.7
141.06523	0.3
141.10229	0.8
143.08180	0.3
143.11798	1.1
144.10135	0.4
145.04987	0.4
146.06052	0.5
147.04349	0.4
147.07678	0.4
147.11261	1.0
148.06012	1.0
148.07475	0.3
155.07028	4.2
155.08241	0.5
159.09172	0.7
161.12836	0.4
163.03877	3.5
163.07494	1.4
166.08614	2.8
167.07002	0.9
169.13332	0.4
170.06001	0.7
171.09140	0.4
171.11250	0.7
173.08130	0.3
173.12883	1.1
175.10695	0.5
175.11996	0.4
177.10185	2.5
181.08577	0.8
182.12842	0.6
183.11221	1.5
183.14914	0.5
186.09239	0.3
187.08662	0.8
187.14406	1.0
189.12355	1.3
191.11803	0.5
195.06590	0.4
195.09010	0.4
197.10275	0.4
199.08632	0.8
200.09416	0.5
201.12312	1.5
203.08176	0.6
205.09674	2.0
210.12326	0.4
213.07552	5.6
213.09697	0.5
213.10368	0.4
215.08282	0.4
215.13899	0.4
216.08777	6.6
216.11267	0.9
217.09822	0.3
219.11261	0.8
219.14937	0.9
220.16896	2.9
223.08713	0.7
223.10767	0.7
225.06514	1.0
226.15559	0.8
227.08116	2.0
228.13571	0.6
230.10219	0.5
233.09506	0.4
233.16447	3.2
237.12218	1.3
238.17973	2.7
240.08759	4.5
241.09776	1.4
243.07745	0.5
244.10788	0.6
245.09131	0.7
246.09842	0.4
247.14496	0.6
255.07574	1.8
256.19153	0.6
261.15933	1.8
263.10330	0.6
269.09167	2.0
272.11316	0.5
280.13025	0.7
287.10193	0.7
297.08771	0.9
300.10910	3.9
304.16516	0.8
311.70578	0.5
315.09689	3.2
315.12997	0.4
343.09116	0.6
375.11728	8.1
375.19934	0.5
376.12173	0.6
384.23373	0.3
385.19846	0.5
385.25143	0.3
392.73257	3.1
393.14941	3.0
393.20969	8.0
393.72787	0.9
394.20538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
56.05031	1.2
57.03425	0.4
58.06587	0.7
60.04522	0.5
67.05493	1.4
69.03405	0.7
69.07063	7.3
70.06581	10.0
70.36884	1.8
71.06902	0.4
72.08147	2.8
74.06065	0.4
77.14479	0.4
78.80547	0.3
79.05484	1.4
81.07048	2.1
82.06551	0.4
83.06087	0.4
84.04491	1.7
84.08137	3.6
85.02890	0.9
86.09694	100.0
87.10030	1.5
88.03955	0.7
91.05457	1.3
93.07026	1.4
94.06561	0.8
95.08592	1.0
96.08071	0.8
97.02896	0.4
98.06092	0.4
98.20719	0.4
103.05432	0.9
104.05310	0.4
105.07027	1.0
105.80454	0.4
107.04950	0.7
107.07298	0.6
107.08564	0.6
108.08115	1.4
109.02838	0.6
109.06465	0.4
109.10155	0.7
110.07150	1.3
116.07104	0.4
117.03385	0.7
119.04919	0.5
119.08550	0.7
120.08089	28.1
121.08428	0.6
122.09655	0.7
124.11219	0.4
127.03919	0.6
129.10228	1.8
130.04918	0.6
132.08076	0.5
132.10202	0.7
136.07550	1.0
136.11226	0.5
137.06032	0.4
144.08061	0.4
145.02818	1.8
145.10078	0.5
146.05884	0.4
147.04419	1.3
148.07634	0.4
149.02361	1.2
150.02676	0.4
153.05496	0.5
166.08577	2.6
177.05415	3.6
185.16458	0.7
186.09073	0.4
199.18034	24.5
200.18413	0.5
202.15891	0.4
218.15433	0.4
220.16960	3.9
221.17200	0.5
222.18524	1.2
227.17505	14.6
233.16464	8.7
234.16751	0.4
236.16461	0.6
238.17998	4.9
239.18663	0.7
240.19592	4.0
248.16434	0.4
256.19168	0.8
257.17010	1.1
261.15936	4.6
276.16022	0.4
279.17010	8.4
380.75851	0.4
383.22488	0.6
391.70456	0.7
391.90829	1.7
392.16708	0.5
392.24490	1.5
392.57932	0.9
392.76187	0.7
393.19904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05497	0.7
56.05039	0.4
56.46832	0.3
58.06590	0.6
67.05490	1.2
69.03418	0.8
69.07050	1.3
70.06585	5.1
70.31893	1.6
72.08147	1.0
75.84425	0.3
79.05473	0.9
81.07039	1.4
82.06564	0.5
84.04493	1.0
84.08131	1.3
86.09691	67.3
87.10022	1.0
91.05466	1.4
93.07044	1.8
94.06560	0.6
95.04921	0.5
95.08614	0.8
96.08113	0.8
97.02871	0.4
103.05449	2.6
105.07018	0.6
105.68037	0.3
107.04932	0.4
107.08552	0.7
108.08120	1.1
110.07127	0.6
115.34767	0.3
116.07104	0.4
119.08562	0.6
120.08084	100.0
121.08392	2.3
121.10113	0.5
123.85614	0.4
129.10237	0.6
132.10153	1.3
145.02870	0.4
149.02298	0.9
150.02693	0.4
163.03870	0.3
166.08640	0.8
177.05461	0.8
199.10793	0.4
199.18018	5.0
220.17050	1.6
222.18526	0.8
227.17557	2.4
233.16446	43.3
234.16693	1.8
236.16325	0.5
238.18031	2.6
239.18315	0.4
240.19519	2.6
245.18561	4.9
261.15942	19.7
262.16370	1.2
279.16956	0.6
360.71811	0.4
383.75235	0.6
386.24146	0.6
391.58093	0.6
391.91309	0.8
392.16696	1.3
392.24945	0.5
392.70862	0.5
392.75711	1.2
393.19348	0.8
393.25360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2173
Annotation	Leu-Pro-Tyr
Peak:m/z	Relative Intensity
53.03932	0.5
55.01863	0.9
55.05502	1.5
56.05022	3.5
57.03437	0.5
57.05790	0.4
57.07093	0.3
60.04517	1.8
61.01137	1.6
66.38766	0.4
67.05501	1.1
68.05024	0.8
69.03410	0.8
69.07057	2.9
70.02937	0.9
70.06581	100.0
71.04977	1.0
71.06912	2.6
71.76453	0.4
72.08147	10.1
72.93775	0.8
74.02419	0.6
74.06082	1.6
79.05483	1.2
81.03414	0.7
81.07072	1.5
82.06572	0.5
83.06104	1.3
84.04493	9.4
84.08131	13.9
85.02872	1.6
85.06535	0.5
85.08462	0.9
86.06065	0.3
86.09693	36.8
87.05595	1.2
87.10042	1.2
88.03486	0.4
88.03955	2.1
89.03896	1.2
90.94839	0.6
91.05460	2.4
93.04537	0.3
93.07021	1.0
94.06549	1.1
95.04970	0.8
95.06081	0.3
95.08569	0.4
96.04467	0.4
96.08132	0.5
97.02872	0.6
97.06477	0.5
98.06043	1.6
100.02168	0.6
101.07162	0.8
102.05530	3.0
103.05447	0.5
104.05315	2.8
105.01830	0.3
105.05656	0.4
105.07050	0.6
107.04958	1.0
107.08587	0.8
107.76638	0.3
108.08091	0.7
109.02821	0.5
109.06496	0.8
109.07659	0.5
109.10173	0.3
110.07155	4.1
111.04419	0.5
112.08725	1.1
113.07131	0.6
114.09186	0.3
115.08698	0.8
116.07069	3.9
117.03373	1.5
118.08662	0.3
119.04936	1.2
119.08567	0.5
120.08094	9.1
120.08922	0.7
121.02844	0.3
121.08426	0.7
121.10200	0.5
122.02667	0.7
122.06019	1.7
123.04448	0.3
124.07612	0.5
125.09628	0.8
126.05524	1.1
126.09105	0.4
126.09981	0.5
127.03918	0.8
127.08656	0.8
129.05560	0.5
129.06653	0.7
129.10222	8.8
130.04991	2.2
130.08630	0.6
130.10594	0.9
132.07968	0.4
133.03175	1.0
133.06088	1.6
133.10106	0.5
135.04387	3.1
135.08046	0.4
136.04750	0.4
136.07562	8.4
137.05949	3.7
138.05481	0.3
141.10220	0.4
143.11833	0.6
144.06551	0.9
145.02802	2.5
145.04993	0.4
146.02687	0.4
146.06093	1.2
147.04381	0.6
147.07690	1.6
147.28352	0.4
148.06064	0.6
148.07576	1.3
149.02336	1.5
150.02684	0.8
150.05832	3.1
152.10817	0.4
156.07732	1.0
162.07582	0.7
163.03893	15.1
164.04256	0.4
165.05457	0.8
166.08641	0.7
167.08052	0.7
169.13347	0.9
171.11404	0.4
173.09219	0.5
173.12849	0.5
178.03235	0.9
180.11339	0.5
181.09811	0.5
182.08194	1.1
183.14908	23.3
188.07135	0.4
189.08771	0.4
195.06474	0.6
195.11511	0.4
197.12894	1.5
199.08691	0.8
200.09453	0.4
201.12407	0.7
208.10742	0.4
208.98921	0.5
209.09142	0.4
211.14378	15.2
212.14735	0.6
213.08626	0.5
213.11119	1.2
215.08073	0.5
215.13873	3.7
215.15761	0.5
217.13496	0.5
223.08647	0.5
224.98442	0.6
226.15529	0.7
227.00026	0.4
227.08122	1.8
227.12000	0.5
229.13428	0.5
230.08060	0.5
233.16440	1.7
234.96877	3.1
235.13324	0.5
241.09761	1.3
243.13049	2.2
243.15511	0.6
243.67319	0.8
244.17197	0.4
245.09161	0.6
245.11055	2.0
247.14410	0.9
248.94962	0.9
249.16011	1.9
252.97922	8.1
253.00339	0.6
253.16618	0.6
253.98204	0.7
255.07689	1.5
257.12823	2.5
260.98438	1.0
261.09073	1.0
261.15933	0.6
269.09119	1.7
269.12552	0.3
270.13712	1.0
271.11618	0.5
271.14328	2.5
273.15973	0.5
275.99628	0.4
278.99557	1.0
279.10333	0.5
279.13446	1.0
287.10251	0.5
288.97989	0.9
294.00574	1.1
295.16388	2.3
297.00702	0.4
297.08707	1.3
303.11731	1.5
306.98935	2.3
309.15771	0.6
315.09671	2.8
338.98096	1.1
343.09247	0.8
348.01794	0.6
361.11029	0.4
369.25754	0.4
373.25684	0.9
374.12552	0.6
374.19073	0.7
375.11816	8.5
375.16669	0.4
392.16949	1.3
392.21881	4.7
393.13068	1.9
393.21719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15689	0.7
55.01860	1.5
55.05492	2.5
55.93515	0.7
56.05025	29.6
60.04513	4.5
60.05625	1.0
61.01137	25.5
68.05022	1.4
69.03403	1.7
69.07056	6.6
70.02950	1.2
70.06581	41.8
71.04948	0.9
71.06908	1.9
71.08620	9.8
71.64218	1.2
72.08142	17.8
72.93771	2.9
73.04015	0.7
73.08465	0.7
74.06059	5.4
75.02695	1.4
77.11037	0.6
77.57017	0.7
79.05473	1.1
81.03394	1.7
81.07026	1.0
82.06560	1.6
83.06087	1.3
84.04491	13.1
84.07630	1.2
84.08128	22.1
85.02884	2.4
85.08452	1.9
86.06042	1.5
86.09692	74.3
87.05570	2.4
87.10007	2.1
88.03965	1.6
89.03821	3.2
90.05535	0.9
90.94797	1.6
91.05470	2.7
95.04935	0.8
95.08578	0.8
96.04460	1.4
96.08109	2.6
97.02873	1.0
97.06547	0.7
98.06036	1.1
98.09662	3.1
99.05591	0.7
101.05983	0.8
101.07124	1.6
101.10770	1.1
102.05523	4.9
103.05470	0.8
104.05314	45.3
107.04926	2.0
107.08578	1.0
108.95854	0.7
109.02886	0.7
109.56542	0.8
110.07167	6.5
110.26301	0.6
111.07562	0.7
112.03993	0.8
112.08726	1.2
115.08674	1.3
116.07071	4.5
117.03371	4.5
119.04916	1.5
120.07259	0.9
120.08084	15.5
121.02827	0.7
121.08363	0.9
124.07555	1.0
124.11205	12.0
129.06595	1.0
129.10226	12.6
130.04973	8.4
130.06499	1.0
130.08601	2.1
130.10579	1.3
131.11797	1.7
132.04710	1.5
135.04402	9.5
136.07547	3.9
137.05981	3.5
138.06464	0.7
139.03871	0.7
141.06558	1.8
141.10265	3.1
142.08633	0.8
143.08130	1.4
143.11801	2.6
145.02817	7.0
145.06093	0.7
145.08562	0.7
146.16476	0.7
147.04372	1.8
147.07626	4.7
147.11243	1.4
148.06015	15.3
149.02328	4.0
150.02643	2.0
152.07016	1.4
153.05397	0.9
154.08621	0.9
157.05954	0.7
159.07634	1.3
163.03879	43.2
164.04227	2.3
164.07048	0.8
167.03389	0.7
167.06970	1.7
167.08183	0.9
169.13354	13.2
172.11525	51.7
173.11781	2.5
175.10605	0.7
177.05547	0.7
182.08069	1.7
183.14816	0.9
186.09190	0.7
186.96889	0.7
188.08311	1.2
191.08379	0.7
194.97386	2.1
197.12791	0.9
199.10780	1.3
200.10991	1.1
206.97325	1.5
208.98853	1.1
212.98360	0.7
213.07527	1.4
216.95760	0.9
217.13660	100.0
218.14023	4.1
219.07939	1.2
219.14883	1.2
220.95151	0.8
224.98375	2.1
229.99167	0.8
230.08014	0.9
231.08727	2.6
231.12151	1.7
232.00601	1.2
232.07137	1.3
234.14517	1.3
234.96849	9.2
235.10815	0.8
235.97400	1.0
236.97849	1.0
242.14890	1.3
245.09309	1.8
245.13162	45.7
246.13426	2.1
248.94792	1.5
252.97906	23.7
253.98250	1.4
257.98380	1.2
259.08069	1.6
260.98419	2.0
261.14413	11.4
262.14700	0.9
266.95969	0.9
269.09161	0.9
275.99487	2.3
278.99438	2.8
279.09976	3.1
279.99673	0.8
288.97876	1.9
294.00516	4.2
294.14471	1.1
297.00589	1.1
306.98877	6.7
307.04553	1.1
338.97946	4.1
342.92477	0.9
348.01691	1.0
350.97919	1.7
375.11731	2.6
391.70999	0.9
392.19092	3.6
392.23126	1.5
393.13535	4.9
393.17905	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	391.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.7
57.07061	6.5
65.18289	1.7
67.05492	12.0
69.07046	10.7
71.08609	5.2
71.54353	3.0
72.92036	1.5
79.05468	6.5
81.07053	18.2
83.08599	6.6
85.10161	2.9
89.06008	15.1
91.05444	10.7
93.07027	21.8
95.08595	23.2
97.10234	2.2
105.07011	22.3
107.08582	25.1
109.10138	27.9
109.99589	1.7
110.10445	2.5
114.21104	1.7
117.07014	4.4
119.08554	20.2
121.10123	14.5
123.11681	6.7
129.06946	2.1
131.07748	1.8
131.08545	11.3
133.08563	7.3
133.10121	10.6
135.11678	7.5
137.13229	2.5
143.08557	5.8
145.10092	12.8
147.11682	8.8
149.02304	19.9
149.13206	9.4
155.08528	2.3
156.09346	2.0
156.44566	2.0
157.10062	10.5
158.10864	2.6
159.11700	18.7
161.13242	15.6
163.14809	6.0
169.10115	2.8
171.11716	8.4
173.13222	23.4
175.14792	7.4
177.16338	3.4
183.11673	3.3
185.13249	6.1
187.14815	15.6
189.16357	5.4
195.12224	11.0
197.13280	3.0
199.14781	7.5
201.16339	9.1
203.17949	6.3
211.14632	2.2
213.16351	5.6
215.17885	5.6
217.19484	5.3
225.16370	4.8
227.17880	4.3
229.19521	5.3
231.21101	4.7
237.16380	1.8
239.17986	4.4
241.19492	5.8
253.19461	4.5
254.13252	2.1
255.21185	3.4
267.20969	2.4
269.22787	2.0
281.22681	5.9
281.49649	1.9
335.27347	6.9
391.33533	100.0
392.33969	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	392.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01862	3.9
55.05500	3.5
56.05025	7.5
57.03430	1.5
58.99578	0.6
59.72142	0.6
60.04513	5.2
60.05643	1.0
61.01139	2.1
65.03922	1.2
67.05479	3.3
68.05016	0.7
69.03409	3.5
69.07064	5.2
70.02939	1.9
70.06580	100.0
71.04996	1.6
71.06898	4.0
71.58517	0.9
72.07749	1.3
72.08140	19.2
72.93787	1.1
73.02921	0.8
73.08495	1.3
74.00640	0.7
74.02438	1.1
74.06065	4.5
75.02671	0.6
76.03986	1.1
77.03934	0.6
79.05469	3.3
81.03413	3.8
81.07044	1.7
82.06561	1.1
83.04967	1.6
83.06088	2.7
84.04489	21.2
84.04973	1.3
84.08128	36.1
85.02887	3.4
85.04058	0.6
85.04820	1.4
85.06522	1.4
85.08446	3.2
86.03211	0.7
86.06054	0.8
86.09692	56.3
87.00813	0.9
87.04498	0.7
87.05598	3.3
87.10032	3.9
88.03977	5.6
89.03902	1.7
91.05460	5.6
93.03386	0.7
93.04517	1.0
93.07042	2.7
94.04208	0.5
94.06554	0.7
95.04952	4.9
95.06074	1.2
95.08581	1.1
96.04478	0.9
96.08128	0.8
97.02887	1.7
97.06509	2.3
97.07612	0.7
98.02414	0.8
98.06048	2.1
99.04414	1.7
101.07133	1.9
101.10744	0.8
102.05522	7.8
103.05452	1.7
104.05338	5.0
105.01859	1.0
105.03384	2.3
105.07012	3.6
106.04990	1.0
107.04926	4.3
107.08565	1.1
109.02856	4.2
109.06516	1.6
109.07639	0.6
109.10144	2.0
110.06017	0.9
110.07154	19.0
110.09695	0.9
111.04414	1.5
111.07506	1.2
112.08723	3.4
113.07123	1.6
115.05099	0.6
115.08676	3.0
116.07074	12.5
117.03392	2.3
117.06994	0.7
118.06613	0.9
119.04913	3.3
119.08584	0.7
120.08085	30.9
121.02847	0.6
121.06529	3.1
121.08440	2.0
121.10065	0.6
122.02667	0.8
122.06023	2.4
123.04424	6.1
123.08005	0.7
124.05170	1.1
124.07556	0.9
125.05987	1.5
125.07093	1.3
125.09628	1.9
126.05530	1.0
126.09999	1.8
127.03923	3.0
127.05013	0.9
127.07549	11.2
127.08659	2.7
127.11200	1.4
129.06573	2.8
129.09256	0.9
129.10219	18.0
129.11125	1.2
130.04961	5.2
130.06517	1.4
130.08620	1.8
130.10588	1.3
132.08055	0.9
133.03062	1.5
133.06502	9.8
134.04483	1.1
134.05954	2.8
135.04398	7.5
135.06752	7.3
135.07834	0.8
136.07559	15.9
137.05962	8.4
137.09616	0.7
137.10646	0.6
138.06731	6.9
139.07542	6.4
139.08566	0.9
140.04651	1.3
140.07056	0.8
141.06555	0.8
141.10202	3.0
143.10706	1.0
143.11819	1.7
144.06551	1.6
144.08089	1.0
144.59926	0.7
145.02795	3.5
145.12231	1.0
146.06094	1.1
147.04378	3.4
147.07704	1.9
147.11205	0.9
148.06049	0.7
149.02315	3.6
149.06000	2.6
150.05807	5.7
151.03902	2.4
151.06357	1.0
151.07526	6.2
153.05487	2.5
155.07022	4.8
155.08191	1.9
156.07605	3.8
157.09755	1.0
158.09325	0.8
159.07750	1.2
159.09181	1.7
159.11339	0.7
160.09512	1.3
161.09238	1.0
163.03883	18.9
164.04323	1.6
164.07027	1.5
165.05457	8.2
165.07582	0.7
166.08621	1.3
167.07007	1.1
169.09744	1.2
169.13390	2.1
171.07726	0.9
171.11415	0.9
173.13011	1.1
175.03870	1.2
175.11938	2.0
178.06184	6.5
179.03452	1.6
179.07001	11.2
181.04881	1.1
181.09793	0.9
182.08168	1.2
183.06534	2.2
183.11345	1.4
183.14954	2.5
185.09222	1.0
186.09146	0.9
187.11082	0.6
187.13034	1.0
188.06993	1.3
194.97406	1.2
195.06369	0.9
195.11450	0.8
197.08051	4.4
197.12909	3.0
199.07109	0.7
199.10710	0.6
201.08711	0.8
201.12387	2.0
203.10310	0.8
205.09735	1.1
207.06476	1.5
208.98856	0.7
209.09196	0.7
211.05978	3.1
212.98500	0.7
215.13777	1.3
217.13611	1.5
224.98503	1.1
225.09158	0.7
226.15562	1.5
227.10208	1.0
228.13489	0.9
230.08003	0.7
231.04562	1.1
233.16499	2.0
234.96837	4.0
243.13509	1.1
244.12932	1.2
245.10918	2.8
245.13458	1.5
248.94804	1.0
249.10088	0.6
249.12231	3.2
249.16064	0.9
251.10258	0.9
252.97910	8.2
259.08163	1.3
259.16348	2.3
260.98434	1.3
261.16003	1.0
269.09308	0.8
271.09683	1.5
277.11853	2.7
278.16669	0.8
278.99460	1.4
279.09949	1.4
279.13437	0.8
288.20270	0.8
291.53406	0.8
294.00549	1.8
297.08777	0.9
297.15759	0.9
300.15353	0.7
306.98874	3.0
315.09723	1.8
329.06204	1.3
329.10141	27.0
330.10550	1.4
333.09674	3.0
334.22983	1.1
338.98053	1.5
343.09256	0.8
346.12787	19.6
346.17133	0.6
347.13278	1.7
348.01651	0.7
358.75586	0.7
359.20221	0.9
359.26154	0.8
359.75977	1.3
374.12729	0.7
374.69412	0.7
375.10892	12.0
376.11111	0.7
391.54059	0.9
391.71600	1.2
391.88004	3.3
392.13254	6.3
392.18436	1.0
392.20627	2.0
392.24747	2.4
392.55249	0.6
393.13693	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	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01858	2.2
55.05507	9.4
57.07066	10.8
57.40105	1.8
59.04992	2.5
65.03912	2.3
66.05989	1.6
67.05500	14.8
69.03413	2.1
69.07038	7.8
69.96478	5.6
69.96899	6.9
70.06586	3.1
71.08606	8.0
79.05483	16.8
81.07055	28.9
83.04973	4.3
83.08568	2.3
85.06509	3.0
91.05484	21.7
93.07038	27.4
95.04963	31.4
95.08595	19.2
95.62853	1.8
95.71202	1.7
97.06519	5.0
103.05447	2.7
105.07020	46.0
107.08581	20.5
109.06499	8.2
109.10128	6.7
114.34066	2.0
115.05433	3.4
116.06228	2.5
117.06996	12.7
119.08566	39.5
121.02899	3.2
121.06493	11.0
121.10138	16.4
123.08031	5.4
123.11704	2.3
128.06213	7.1
129.06979	10.2
130.07744	7.3
131.08531	17.4
133.10124	9.3
135.08034	4.3
135.11722	2.8
141.06944	4.9
142.07739	15.1
143.08527	23.5
144.09273	4.6
145.10123	33.1
147.08081	4.1
147.11679	11.8
149.02338	57.3
149.09639	3.9
150.02658	2.1
153.06920	3.4
154.07796	3.2
155.08536	10.0
156.09341	9.3
157.10104	30.2
158.10909	2.0
159.08020	5.3
159.11667	14.0
161.09596	6.7
161.13200	3.1
163.11047	2.0
165.06998	7.1
166.07724	1.8
167.03391	7.5
167.08505	6.6
167.10593	2.8
168.09306	5.5
169.10115	15.0
170.10904	4.2
171.11658	13.7
173.09592	4.9
173.13217	10.4
175.11205	4.7
179.08519	7.5
180.09274	5.0
181.10118	11.2
182.10910	4.2
183.11653	17.4
184.12474	2.3
185.09660	2.9
185.13228	6.6
187.11057	3.6
191.14302	4.3
192.09232	4.3
193.10127	13.1
194.10886	6.7
195.11667	14.6
196.12495	3.5
197.13257	12.0
199.11209	5.1
199.14824	5.1
205.10066	2.9
206.10901	7.6
207.11732	12.2
208.12427	5.8
209.13246	14.0
210.13925	3.9
211.11240	3.0
211.14809	5.9
215.14267	3.5
217.10071	2.0
217.15865	1.9
219.11658	6.9
220.12457	4.2
221.13332	10.3
222.13948	3.4
223.14821	8.6
225.12814	3.1
225.16399	3.0
227.14317	4.1
231.11665	3.4
232.12389	3.9
233.13194	6.3
233.15395	4.6
234.13994	4.4
235.14719	9.8
237.12741	2.8
237.16382	5.2
239.18028	2.4
245.13339	4.1
246.14046	2.9
247.14839	5.2
248.15602	2.2
249.16423	10.7
251.14281	3.5
251.17880	2.4
257.13101	2.4
259.14838	3.6
261.16360	4.5
263.17920	5.2
264.18808	2.2
265.19452	2.1
267.17371	2.4
269.18848	3.8
273.16245	2.3
275.17856	5.7
277.15720	2.1
277.19427	2.8
279.17468	3.3
282.19849	8.7
286.88361	2.1
289.19382	2.4
293.18942	4.3
295.20490	4.5
297.18564	4.6
299.17783	3.8
299.64053	1.9
307.20441	2.0
317.18970	4.1
329.32486	4.9
332.21225	1.9
335.20084	5.0
373.25143	18.2
391.15341	3.0
391.26233	100.0
391.35724	11.1
392.26398	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	391.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.6
55.05255	1.1
55.05502	18.0
57.03428	6.8
57.07068	10.8
59.07818	0.6
67.05498	12.2
69.07056	23.3
69.71149	0.6
71.04976	0.7
71.08334	0.6
71.08623	7.2
71.52108	1.5
74.10586	0.7
79.05491	7.6
81.07043	13.9
83.04966	0.8
83.08604	23.2
85.10165	1.9
91.05461	1.7
93.07026	8.5
95.04935	0.9
95.08600	9.8
97.06499	5.8
97.10156	17.1
98.98451	76.0
105.07012	1.6
107.08590	6.1
109.10136	5.2
111.08082	3.9
111.11701	5.3
115.11211	0.9
116.99460	3.1
121.02856	0.7
121.10123	16.9
123.11671	4.8
125.09615	1.0
125.13255	1.8
127.11194	0.8
135.11679	9.2
137.13208	3.2
139.11168	0.8
140.01085	1.4
145.10109	0.9
148.00665	0.7
149.02330	20.2
149.13274	4.0
153.16380	0.8
155.01018	100.0
163.14891	1.6
167.03299	2.3
176.18962	0.7
187.24002	0.7
192.91988	0.7
196.03641	1.5
212.99120	0.7
219.21048	10.2
237.22098	24.8
238.02786	0.7
391.26282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01860	6.0
55.05500	5.3
56.05025	19.9
57.03421	2.5
57.07059	1.4
57.66902	0.4
58.06590	0.6
60.04522	2.4
60.05650	0.6
60.08155	0.7
61.00840	1.0
61.01137	14.4
61.02906	1.2
65.03926	0.6
67.05491	5.5
68.05006	1.1
68.99754	0.6
69.03417	7.0
69.07055	3.5
70.02938	1.3
70.06579	100.0
71.04982	5.9
71.06915	2.6
71.08628	0.8
71.58364	0.7
72.08141	9.9
72.93764	0.6
73.02905	5.5
73.08475	0.4
74.06071	2.7
76.03980	0.6
79.05481	2.9
81.03398	6.8
81.04536	0.9
81.07053	2.9
82.05318	0.5
82.06560	0.9
82.28643	0.4
83.04968	3.4
83.06098	3.7
83.08603	1.6
84.04487	11.8
84.08128	37.9
85.02887	12.8
85.03991	0.6
85.06529	3.0
85.08466	1.5
86.06046	0.8
86.09691	33.7
87.00813	5.2
87.05576	0.6
87.10026	0.8
88.03972	4.7
90.05552	0.6
91.03924	0.7
91.05454	3.9
93.04523	1.2
93.07035	2.8
95.04962	2.0
95.06076	0.8
95.08599	1.2
97.02875	5.0
97.06536	1.1
97.07655	0.6
97.10178	2.6
98.06039	7.8
99.04423	3.7
101.07130	2.1
101.10789	0.9
102.05507	3.6
103.05441	1.0
104.05311	28.9
105.01855	3.8
105.07020	1.5
107.04917	2.6
107.08580	3.8
109.02857	5.6
109.06495	1.4
109.10143	5.9
110.07146	17.4
110.09689	0.6
111.07471	0.7
111.09195	0.6
112.07546	1.1
112.08720	4.2
113.07102	1.4
114.05511	0.4
115.08687	2.1
116.07085	3.6
117.01853	1.0
117.03345	0.5
119.04932	1.9
119.08565	1.0
120.06709	0.7
120.08083	16.4
120.08950	0.9
121.02863	0.5
121.06500	1.0
121.08398	0.5
121.10139	1.0
123.04436	0.9
123.05559	2.1
123.08006	0.6
124.07565	0.7
125.06038	3.3
125.07008	2.5
125.09611	25.2
126.05503	0.9
126.10010	0.5
127.03907	8.8
127.04840	0.9
127.07661	0.7
127.08670	3.1
127.11171	10.1
129.01796	0.6
129.06548	2.6
129.10219	17.3
130.04979	3.5
130.06537	1.9
130.07753	0.6
130.08611	3.1
130.10587	0.9
131.04951	0.8
131.08527	1.2
132.04446	1.1
132.08089	1.3
132.10176	0.5
133.03123	0.9
133.06407	0.7
134.06000	0.4
135.04382	2.2
135.06754	0.4
135.08083	0.6
136.07562	12.2
137.05945	2.1
137.08012	0.8
137.09604	1.9
138.06648	0.9
138.09122	0.6
140.08179	1.7
141.06609	1.0
141.09261	0.5
141.10239	2.0
143.10658	9.1
143.11705	1.0
144.06580	1.4
144.08138	0.8
145.02852	1.4
145.04926	3.2
145.05963	0.6
145.10156	0.7
145.12239	0.9
146.06314	14.1
147.02852	0.7
147.04407	2.3
147.07652	4.1
147.11284	1.1
148.06117	0.5
149.02315	10.5
149.09590	4.5
150.05800	5.1
151.07452	0.7
155.08165	1.2
155.09326	0.6
155.11752	0.6
156.07686	1.0
157.13390	1.7
158.09235	0.6
159.02856	3.7
159.07874	0.7
159.09180	3.3
161.09326	0.9
163.03880	8.1
163.07439	0.5
165.05513	0.5
167.03386	1.0
167.06961	0.9
167.08238	0.8
167.10620	7.3
167.11790	0.6
169.09764	1.4
169.13351	1.5
170.05998	1.5
171.07726	0.8
171.11273	0.5
173.09305	0.8
173.12785	0.6
174.05829	4.9
175.07556	0.5
175.09033	0.6
175.11899	1.1
177.05339	0.7
177.10245	0.6
179.07178	0.6
183.14949	1.0
185.09105	2.1
185.11623	0.8
185.12981	1.1
186.12801	1.0
187.08803	0.8
187.10797	0.9
188.07082	1.4
195.11322	0.7
196.06036	1.1
196.14400	2.3
197.08041	0.6
197.12862	1.5
201.12433	0.6
203.08533	0.8
203.10287	2.0
203.12035	0.6
205.09744	0.6
207.08020	3.1
209.11603	0.7
213.08749	1.7
214.15549	1.3
215.10683	0.6
215.13921	0.7
217.13417	1.8
217.15791	1.0
224.13982	1.1
227.10271	1.0
227.12746	0.8
231.04982	1.6
231.12411	2.9
233.12958	1.5
234.96880	1.4
235.11772	1.0
235.97601	0.8
240.13356	0.6
241.13229	0.6
242.15047	1.5
244.10765	2.4
244.12984	6.0
245.13080	1.3
248.63472	0.6
251.12639	0.9
251.98415	0.8
252.97897	4.6
255.14311	0.5
258.16052	2.8
260.10449	0.5
261.12341	1.0
276.16913	0.6
277.14029	1.8
278.11841	0.5
286.15543	0.8
288.97815	0.5
290.86469	1.2
292.16528	1.0
294.00632	0.8
294.16858	1.0
295.49728	1.3
295.83182	0.5
306.99054	1.9
307.53802	1.2
312.68097	0.9
313.18069	0.6
313.21338	1.9
313.54355	0.7
322.98611	0.6
327.88974	0.6
333.56369	1.9
333.89801	1.7
338.97839	0.6
346.13092	0.6
358.75784	2.0
359.20279	0.9
359.25842	1.3
373.19000	1.6
376.15176	0.9
390.90045	0.6
391.10013	1.6
391.14948	2.0
391.19861	5.1
391.24429	5.6
394.21274	1.3
399.21268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51563	0.3
55.05491	0.6
56.05016	0.6
56.05815	0.3
57.03413	0.3
57.07070	0.4
60.04509	0.5
65.03595	0.5
65.03925	6.8
67.05484	0.8
69.03408	0.6
69.07037	0.8
69.82170	0.7
69.82685	1.2
69.83096	0.3
70.06581	6.4
71.05007	0.3
71.08604	0.4
72.08144	2.0
74.06046	0.4
77.03946	0.3
77.17947	0.2
79.05467	1.2
81.03406	0.8
81.07029	0.5
82.06554	0.7
84.04485	1.1
84.08125	4.0
85.02886	0.8
85.06516	0.4
86.06036	0.5
86.09693	8.8
87.10013	0.6
88.03954	0.4
89.03894	0.5
91.05453	1.9
92.04989	3.4
93.05768	0.5
93.07035	1.6
94.06553	2.1
94.91119	0.3
95.04953	0.4
95.07332	0.9
95.08562	0.3
96.08110	3.4
97.02824	0.3
97.06496	0.8
99.04382	0.3
102.05490	0.4
103.05446	0.3
104.05372	0.3
105.06995	0.6
106.06517	0.5
107.04941	0.4
107.08557	1.0
108.08096	9.6
110.06020	0.4
110.07131	1.3
110.09663	5.0
112.08678	0.3
116.04945	1.6
117.05770	0.4
118.06513	0.7
119.04916	0.3
119.08534	0.4
120.04447	9.0
120.08079	4.3
121.02855	0.5
122.06018	3.0
124.07565	2.0
125.09580	0.4
127.03922	0.5
129.10225	2.5
130.06511	2.0
132.08162	0.3
134.05992	1.6
135.08035	0.8
136.07555	5.2
137.05951	0.4
137.07893	0.3
138.05473	0.8
138.09116	6.0
144.04430	4.7
145.04933	0.3
146.05978	1.6
147.04445	0.5
147.11375	0.3
148.03905	100.0
149.02325	3.8
149.04216	2.3
151.77029	0.3
152.07037	23.6
153.07413	0.4
157.07593	3.5
158.05847	0.4
162.04131	0.3
162.05490	6.4
163.03836	0.3
164.07048	7.1
166.04976	40.8
167.05325	0.9
172.03899	19.2
173.12874	0.7
174.05515	0.4
182.08102	18.5
185.07097	0.9
186.09021	0.4
189.06558	0.4
189.09004	0.4
190.04961	15.3
191.05261	0.3
194.08089	0.8
197.10774	0.6
197.12865	0.3
199.12234	0.8
200.13919	0.5
204.06529	29.8
205.06894	1.1
205.09781	0.3
211.16890	0.3
212.09357	0.3
214.09727	0.8
220.16971	0.8
221.17262	0.4
222.07562	3.0
225.10170	1.1
226.10756	0.4
227.11737	2.6
228.10318	0.3
238.17978	2.1
238.68195	0.3
240.08965	0.6
242.09297	0.8
243.07645	0.3
243.11208	1.1
245.12843	0.9
245.15175	0.3
253.09680	4.1
254.10237	0.4
255.11250	24.0
256.11557	1.0
271.10803	1.5
273.12296	16.9
274.12680	0.8
281.09161	21.0
282.09454	1.1
287.08899	0.4
289.11801	2.5
291.13272	0.5
295.10809	0.3
297.12271	0.4
299.10220	21.9
300.10452	1.1
313.11804	0.4
317.11264	93.8
318.11649	5.0
335.12320	11.4
336.12601	0.5
341.11298	5.5
345.14413	0.5
355.12875	1.3
356.11496	0.5
359.12305	30.7
360.12555	1.7
373.09747	0.4
373.13846	2.4
373.18610	2.0
374.13333	0.5
391.15219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.9
56.05023	4.8
57.03401	0.7
57.05815	0.9
58.06580	1.1
60.04515	5.6
60.07051	0.5
61.01138	0.8
61.16477	0.5
67.05495	0.9
68.05013	0.6
69.03418	0.9
69.04539	0.5
69.07066	2.6
70.02943	1.6
70.06583	25.9
71.06923	1.4
71.76836	0.6
72.08144	75.6
73.08460	0.9
74.06059	5.4
76.04006	0.8
79.05480	0.9
81.03419	0.5
81.07040	0.9
82.06551	0.7
83.06077	0.9
84.04493	14.4
84.08134	16.1
85.02895	2.0
85.04020	1.0
85.08441	0.6
86.00646	0.5
86.06069	0.6
86.09692	100.0
87.05575	7.1
87.10028	1.9
88.03989	2.7
88.04463	0.4
90.05540	0.9
91.05457	2.5
93.07015	0.8
95.04956	0.8
95.06120	0.6
96.08111	1.9
97.06531	0.9
98.02406	1.5
98.06007	0.7
99.05518	0.7
101.07144	2.5
102.05534	3.6
103.03850	0.5
104.05302	1.6
105.07018	1.1
107.04948	0.6
108.08151	0.5
110.02348	0.9
110.07153	8.3
110.09647	1.1
112.08712	1.3
113.07147	0.6
113.10737	0.6
114.09158	0.7
115.08663	1.4
116.07053	1.7
120.06555	2.0
120.08107	6.2
121.08440	0.9
121.10122	0.8
122.02666	0.5
124.03931	0.7
124.07566	5.0
127.08649	1.0
128.10695	5.5
129.06570	0.9
129.10220	19.2
130.04987	5.4
130.08606	1.1
130.10530	0.8
131.04890	0.9
132.08076	1.0
132.10217	0.7
133.10107	0.6
134.08101	1.4
136.03912	0.5
136.07573	2.5
137.05974	0.7
138.09085	0.8
141.06569	0.6
141.10178	2.3
143.11774	6.7
144.06514	1.6
147.04356	0.8
147.07628	0.7
147.11206	1.1
148.05946	0.9
150.05711	0.8
154.04964	0.7
155.08092	0.7
155.11781	3.1
156.07643	1.7
156.10100	0.7
157.06059	0.6
157.09695	4.5
158.09346	0.6
159.07652	1.0
159.09128	0.7
159.11267	1.9
162.07558	3.1
163.03860	1.8
164.39899	0.5
165.10173	0.6
169.09671	0.8
171.11272	3.5
173.12842	22.7
175.10757	1.4
183.11255	2.4
183.14806	0.8
185.16360	1.4
187.10748	2.1
187.14314	1.6
189.12317	14.1
197.16435	0.6
200.13922	10.5
201.12334	17.3
203.13817	3.4
205.11804	0.7
209.15338	0.6
213.16039	0.5
215.13858	4.5
216.09717	2.7
217.08156	1.1
219.13354	3.8
225.15927	3.2
226.15428	0.9
227.11717	1.1
228.13506	2.7
233.15016	7.0
234.10512	1.2
240.13342	1.0
242.18408	0.6
244.10516	0.6
250.97981	0.7
255.17030	1.3
256.16495	0.8
266.07916	0.6
270.18082	5.4
272.15945	1.3
282.17993	1.7
290.16800	1.0
300.19064	3.1
354.68494	1.5
366.34042	0.5
371.18597	0.7
371.23135	3.4
389.13547	2.9
389.24063	3.9
390.24698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
55.05503	2.8
56.05017	2.4
57.05808	0.4
60.04518	6.2
61.01137	0.5
67.10858	0.3
68.04996	0.6
69.07049	2.9
70.02967	0.5
70.06582	17.1
70.90202	1.1
71.04990	0.5
71.06910	1.1
72.08144	30.4
73.08489	0.8
74.06073	2.4
79.05484	0.6
81.07015	0.5
81.45412	0.3
82.46606	0.4
83.06088	0.8
84.04491	23.4
84.08133	10.7
85.02902	0.9
85.08460	0.5
85.14259	0.3
86.09692	100.0
87.05577	1.2
87.09997	1.8
88.03981	1.7
89.06016	1.9
90.06329	0.4
91.05497	0.7
95.04950	0.6
96.04497	0.6
96.08120	0.5
97.02869	0.7
98.05999	0.5
99.05569	0.9
101.07127	4.1
101.64859	0.4
102.05527	5.9
104.05303	1.3
104.07092	0.5
105.07014	0.4
107.04929	0.7
108.37417	0.4
110.07138	3.5
110.09695	0.5
112.03983	2.0
112.08717	1.6
113.07178	0.4
113.10729	0.4
115.08679	1.2
116.07068	1.4
119.04975	0.5
120.08095	2.2
124.07558	1.0
127.08642	0.4
129.06619	1.2
129.10234	4.5
130.04985	28.4
130.06404	2.3
130.08655	1.1
131.11777	0.8
132.10210	1.1
133.06026	0.5
135.04445	0.4
136.07533	2.0
141.06563	1.4
141.10217	1.3
143.11772	3.2
144.06554	0.5
144.10196	1.5
145.09688	0.7
147.07623	44.3
148.06052	0.6
148.07980	0.9
151.09637	1.0
152.09979	0.4
155.08142	1.1
155.11771	0.7
157.13336	3.9
158.06039	0.6
159.07611	2.0
161.12820	2.2
162.07597	1.1
163.03920	1.3
163.07153	1.5
169.13345	0.9
170.09631	1.6
171.07695	0.4
171.11256	3.0
173.09232	0.7
173.12889	1.2
175.11990	0.5
177.08739	0.5
179.11819	1.0
183.11324	0.6
185.12839	3.8
185.16490	1.0
187.07129	2.8
187.10742	0.8
187.12325	0.7
197.12770	2.5
198.09100	3.3
199.18025	5.0
201.12288	2.5
203.13887	2.0
205.11803	3.6
207.11356	0.4
209.13744	2.2
209.15575	0.5
210.14142	2.6
213.16060	0.4
215.13933	0.9
217.15445	0.9
219.13373	4.0
225.12331	5.0
227.17503	2.7
239.13921	0.4
239.17558	0.9
240.13310	0.6
242.15015	0.5
243.13353	2.2
254.15056	1.0
258.10800	0.8
260.16037	13.4
260.18698	0.8
261.14124	0.4
261.16617	0.5
274.21246	0.9
284.19611	1.9
353.18079	2.8
361.18387	0.4
371.18561	0.5
371.22687	1.2
388.88077	0.4
389.17877	0.5
389.24628	5.5
390.24966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
56.05019	6.9
58.48381	0.7
60.04492	3.2
60.05620	2.7
69.07045	2.1
70.06583	39.2
71.06900	1.1
71.70644	0.9
72.08150	17.9
74.06070	4.9
74.48605	0.8
75.51209	0.6
82.06541	0.8
83.06089	1.4
84.04494	77.5
84.08133	38.0
85.02873	3.4
85.04796	1.3
85.08454	2.0
86.09694	68.7
87.04441	2.2
87.05566	0.9
87.10033	1.8
88.03967	1.0
89.94769	0.8
91.05455	3.1
96.04483	1.3
97.02817	0.9
101.07135	11.1
101.10799	1.1
102.05530	22.4
104.07082	1.3
108.08085	1.6
110.07165	4.8
112.07584	6.2
112.08723	3.7
113.07121	2.0
115.08669	2.2
116.07085	2.4
124.11237	1.0
129.06572	7.2
129.10226	19.1
130.04985	62.3
130.08609	3.3
130.09659	0.8
130.10637	0.9
131.05330	1.4
132.10217	1.8
133.06087	1.5
135.04366	1.1
140.07039	4.1
140.08127	1.6
141.06615	4.6
143.11798	0.9
145.02858	0.9
147.07629	100.0
147.11308	3.1
148.06029	1.5
148.07993	1.7
152.10689	2.5
155.08182	1.1
156.07751	1.0
157.09683	2.5
158.09224	1.1
161.12868	0.8
163.03906	5.0
167.08147	1.0
168.13861	1.2
168.36185	0.8
169.13376	2.2
170.11807	3.2
171.11298	1.2
173.09213	1.6
173.12926	1.5
175.11832	3.6
185.09218	2.4
187.10776	1.0
187.14383	2.0
189.12326	2.5
197.12836	16.9
200.14021	0.7
201.08722	1.8
201.12346	1.3
202.01709	0.9
203.10265	2.6
205.11703	1.0
215.13910	15.4
225.12340	6.9
225.17245	1.1
228.16028	2.8
240.13385	0.8
242.15070	1.7
243.13329	4.9
250.98468	1.7
259.14044	1.4
260.16040	4.3
276.16837	2.1
284.16144	1.5
286.13940	2.9
301.13138	1.0
353.18301	1.3
371.19077	5.3
371.23230	4.0
372.22818	1.1
389.20322	1.2
389.24915	29.7
390.21149	6.2
390.24780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01381	0.8
55.01859	0.9
55.05505	4.5
56.05026	3.8
57.03426	0.9
57.07050	0.9
59.04985	0.7
60.04525	4.0
61.02916	0.9
62.88321	0.7
65.03905	1.1
67.05504	6.7
69.03409	3.2
69.07059	7.2
69.74418	1.1
69.74823	4.1
70.02946	0.8
70.06583	33.4
71.04983	1.0
71.06926	1.5
72.08146	14.1
73.02930	0.9
73.06535	2.2
74.06068	3.1
76.12875	0.6
79.05485	3.8
81.03399	1.2
81.06629	0.6
81.07024	3.9
82.06573	0.8
83.06103	1.2
83.08609	1.6
84.04498	7.8
84.08134	18.0
85.02895	5.5
85.08470	1.5
86.09694	48.6
87.04448	4.3
87.05572	1.7
87.10038	2.5
88.03986	2.1
89.06020	100.0
90.06342	1.1
91.05466	7.2
93.07058	4.3
94.06555	5.4
95.04967	2.1
95.08596	4.2
97.02878	1.4
97.06550	0.9
98.06029	1.3
98.21464	1.5
99.04421	1.8
101.07161	1.7
102.05527	2.6
103.05446	4.4
104.05354	0.7
105.07028	12.0
106.05011	1.4
107.04956	2.4
107.07051	3.4
107.08586	6.4
108.08092	1.0
109.06544	1.0
109.10150	2.8
110.07169	6.6
112.08704	2.1
113.07157	1.1
115.08675	2.2
116.06280	0.8
116.07101	1.2
117.07031	2.0
117.09160	0.8
119.08566	22.8
120.08098	9.0
120.08897	1.4
121.06516	1.0
121.10116	5.5
122.02720	2.5
122.06011	25.5
122.09674	1.0
123.06396	1.2
123.08110	1.0
125.09619	1.9
127.03931	1.4
127.05013	1.5
128.06177	0.7
128.10661	0.8
129.06892	1.3
129.10214	10.1
130.04980	1.5
130.07765	1.0
130.08636	2.2
130.10533	0.8
131.04890	6.2
131.07019	1.9
131.08560	8.8
132.08110	1.0
132.10202	0.9
133.08589	61.7
133.10091	17.8
134.10570	0.7
135.04321	0.8
135.08058	2.8
135.11679	1.2
136.07552	3.6
137.09615	1.8
143.08568	6.2
143.11772	2.1
144.06578	1.3
144.09288	1.1
145.04996	0.9
145.06055	0.9
145.10085	7.1
146.11739	1.3
147.11710	4.4
149.09610	1.2
149.13245	3.5
153.05463	2.6
156.07637	0.7
157.10007	1.5
158.10880	4.8
161.09277	1.4
163.07527	3.1
165.12688	0.9
167.10654	1.9
170.05992	2.0
171.07982	1.2
171.11301	0.9
172.07202	1.5
173.13083	11.5
175.14809	42.5
176.15154	2.1
177.11198	27.2
179.10583	0.9
183.14944	0.8
184.13425	0.9
185.09450	2.1
189.09007	0.9
189.12340	5.6
190.13348	0.8
191.14287	35.9
192.14711	1.1
193.15959	1.1
201.12372	3.2
203.10724	0.9
208.17012	1.4
209.15347	2.1
213.12529	0.8
219.13393	1.0
220.17017	1.8
221.13800	4.2
226.14291	0.8
238.18007	1.6
239.14822	1.1
240.19525	0.8
249.11267	1.3
258.14508	1.1
267.12210	1.6
283.17383	3.8
284.19598	0.9
307.19318	2.5
317.18900	1.9
327.20154	5.6
371.22733	40.3
372.23203	2.1
379.22681	0.7
387.71414	1.3
388.22922	1.6
388.71808	0.9
389.23840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38139	0.4
53.03937	0.6
55.01853	1.1
55.05497	1.5
56.05016	2.2
58.06596	1.1
60.04513	0.9
62.27917	0.6
67.05493	2.9
69.03433	0.8
69.07066	4.1
69.54218	0.8
69.54615	3.7
70.06583	14.5
71.06920	1.0
72.08141	2.3
79.05489	2.5
81.07033	4.7
82.06580	1.4
84.04494	22.9
84.08138	2.7
85.02901	1.8
85.04836	0.7
85.08435	0.5
86.09692	100.0
87.04462	0.8
87.10031	1.9
91.05464	3.0
93.07039	1.7
95.04953	1.3
95.08580	2.7
96.08109	1.7
102.05526	11.1
105.07034	1.7
107.04977	1.2
107.08588	2.2
108.08103	1.6
109.10133	0.8
110.07130	0.8
110.09717	0.6
113.07153	1.6
119.04897	2.4
119.08608	0.9
120.08095	4.6
121.10143	0.8
122.09658	1.4
123.04436	2.0
123.08106	0.5
129.06563	4.1
129.10231	1.1
130.05026	0.6
132.07961	0.7
133.10120	4.8
135.04390	0.6
135.08046	0.8
136.07567	3.5
137.06001	0.7
137.09593	3.7
141.06535	3.8
145.10098	0.8
146.11739	50.1
147.04385	8.8
147.11835	0.7
148.04788	1.1
149.13229	0.6
152.10707	2.3
163.03934	1.3
170.11780	4.3
173.13319	0.7
191.14305	3.2
197.12823	14.1
209.15359	1.0
215.13878	25.8
216.14394	0.8
220.16927	3.8
221.17149	1.1
222.18510	4.8
223.18819	1.4
225.12334	5.3
238.17964	6.3
238.68169	2.3
239.18549	4.4
239.20958	0.8
239.68954	1.4
240.19553	12.1
240.21806	1.0
241.19919	3.2
243.13365	11.7
256.19119	1.7
257.19513	0.6
259.20187	3.0
306.68921	0.6
307.19577	1.2
310.21344	0.7
320.70480	1.0
345.09189	0.8
370.23541	0.9
381.58209	1.0
381.91547	0.8
387.58313	5.4
387.71576	4.8
387.91812	1.8
388.21860	4.4
388.72379	1.3
388.77371	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	388.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
56.05019	4.2
56.05423	0.6
56.24289	0.6
57.03404	1.0
59.04983	5.6
60.04511	6.9
60.05631	1.4
61.01134	1.0
68.05009	0.8
69.03411	2.6
69.07042	2.4
70.02934	0.9
70.06580	56.1
71.04972	1.1
71.06921	6.8
71.14266	1.4
72.08142	25.7
73.02899	0.7
73.08464	0.6
74.06066	5.0
74.51024	0.7
76.02196	0.7
78.02493	0.7
81.03384	1.5
83.04947	1.1
83.06071	1.8
84.04486	21.8
84.07635	1.0
84.08130	18.8
85.02891	9.9
85.04803	0.8
85.08455	0.7
86.06038	0.7
86.09690	57.4
87.04434	0.8
87.05561	2.7
87.10007	1.9
88.03970	3.0
89.06013	60.4
90.05523	0.8
90.06320	0.8
91.05457	1.7
95.04943	2.8
95.06081	1.1
95.08475	0.6
96.05283	1.1
96.08091	0.6
97.02876	2.1
98.06022	1.6
99.04415	1.1
99.05530	1.3
101.07124	3.3
102.05533	6.0
103.07541	3.6
104.05280	1.3
104.07034	0.8
105.07036	0.8
105.11811	0.7
106.04995	2.0
107.04911	1.2
107.07056	4.5
110.07152	9.3
110.09645	0.7
111.09155	0.7
112.07636	0.7
112.08686	3.6
113.07108	0.9
115.05447	1.4
115.08653	3.1
116.03496	0.8
116.07056	2.2
119.04879	1.3
120.06554	3.0
120.08054	4.1
122.02709	0.9
122.06006	2.2
126.05419	0.9
127.03854	1.2
127.08652	3.6
128.09010	2.0
129.06566	1.4
129.10211	10.2
130.04985	15.1
130.06500	3.0
130.08620	1.7
131.04977	0.7
132.08060	6.1
132.10141	1.0
133.06049	1.5
133.08578	11.2
133.10100	0.7
135.04364	1.2
136.04735	0.8
136.07538	2.6
136.08507	0.8
138.05461	1.2
138.09007	0.7
140.07063	0.8
141.06554	1.8
142.06543	0.7
143.11838	1.5
144.10236	0.9
145.02843	0.9
145.04921	1.6
147.04358	3.5
147.07616	20.7
148.06007	1.2
150.05524	0.7
151.09628	45.8
153.05415	3.3
154.09422	1.1
155.08086	3.8
155.11734	0.7
156.08580	1.0
157.09633	0.8
157.13324	0.9
158.09183	1.1
159.07654	1.8
159.09160	5.1
161.12860	1.0
163.03905	4.1
164.04190	2.3
170.05978	10.3
170.09650	1.1
171.06308	1.8
171.11255	1.5
173.12816	1.7
175.11896	1.0
182.07979	0.7
185.09271	1.0
185.12816	1.8
186.08696	1.3
187.10732	1.0
188.10890	0.8
192.07855	1.0
195.06473	1.0
195.11166	1.7
197.12787	1.2
198.09093	1.8
199.07228	1.0
199.18080	0.8
200.13860	0.9
201.12291	1.4
203.10393	0.8
203.13901	1.4
205.11810	1.6
209.13803	100.0
210.14157	2.1
215.03256	0.8
215.13893	1.1
216.09805	1.2
217.08133	1.1
219.13406	0.9
220.16954	0.9
225.12289	2.5
226.11981	1.4
226.15263	0.8
234.10732	0.7
243.13475	0.8
260.16086	5.2
267.12387	1.0
269.16818	1.0
285.15390	0.9
314.13528	1.1
331.15991	1.9
351.20584	0.7
370.21606	1.2
379.17892	3.9
388.14499	1.0
388.22736	6.3
388.27298	7.8
388.70013	0.7
389.17828	1.5
389.24347	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	388.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05499	4.2
55.80637	0.7
56.05031	10.2
57.00652	0.5
57.03430	0.7
58.06580	1.5
58.99567	0.9
60.04515	5.9
60.05638	1.1
61.01135	2.0
66.96423	0.6
67.05491	3.4
68.05019	1.3
69.03416	2.3
69.04547	0.8
69.07059	10.3
70.02940	1.8
70.06583	53.6
71.04969	1.4
71.06910	3.4
71.69312	0.8
72.08148	23.7
73.08474	2.9
74.06071	15.5
75.05576	0.6
75.06375	0.6
76.02209	1.8
76.03996	1.2
79.05481	2.6
81.03402	1.3
81.04521	0.7
81.07056	2.1
82.06575	1.2
83.04978	1.9
83.06096	2.7
84.04494	20.2
84.07627	1.5
84.08133	29.7
84.85685	0.6
85.02894	3.9
85.04009	1.3
85.04798	1.1
85.08459	1.4
86.03212	1.1
86.06076	2.6
86.09693	100.0
87.05584	2.9
87.10019	6.4
88.03990	5.8
90.05519	1.1
91.05473	7.9
92.05821	0.7
93.04527	1.5
93.07028	2.3
94.06553	2.6
95.04955	2.6
95.06083	2.0
95.08596	1.9
96.04469	2.3
96.08112	1.8
97.02869	1.8
97.06517	1.5
97.07601	0.6
98.02411	0.7
98.06042	1.5
99.04432	1.1
99.05537	0.6
101.07124	2.4
101.10772	0.7
102.05526	9.3
102.06167	0.7
103.05444	1.3
104.05302	1.8
104.07089	0.8
105.07012	3.7
106.05021	1.8
107.04938	6.1
107.08565	2.3
109.02856	0.7
109.06492	1.7
109.10155	1.2
110.07156	23.0
111.04409	1.1
111.07469	1.2
112.07581	0.6
112.08723	2.9
113.05930	0.9
113.07098	3.1
115.05015	0.6
115.08673	3.9
116.07071	3.9
119.04943	2.6
119.08569	2.1
120.06587	7.9
120.08086	11.2
120.08906	1.4
121.06496	1.0
121.10153	1.8
122.02707	8.0
122.06030	6.6
122.07133	3.3
122.10471	0.7
123.08065	1.7
125.05918	1.1
127.03905	2.1
127.05046	1.8
127.08654	1.8
128.10622	0.6
129.06622	1.1
129.10228	17.6
130.04991	4.0
130.06531	2.1
130.08623	2.0
130.10602	1.0
131.04926	1.4
131.08264	3.0
132.08047	1.1
133.10139	2.2
134.04524	0.7
134.08116	1.7
135.04410	1.5
135.08044	0.8
136.07565	5.0
136.08504	0.9
137.05952	1.2
137.07991	0.7
137.09671	0.7
138.06531	0.7
138.09117	1.1
139.07516	0.7
139.08635	1.0
140.07065	0.8
140.08076	0.7
141.06657	1.3
141.10210	2.2
143.08406	2.4
143.11752	2.9
144.06534	1.3
145.05029	0.7
145.10124	1.7
146.11751	1.2
147.04384	6.0
147.07794	1.5
147.11406	1.1
148.06033	1.7
149.09654	0.7
150.06689	0.9
151.07507	1.5
151.08589	0.8
152.14371	2.0
153.05438	2.7
155.07021	1.5
155.08121	0.7
155.11789	1.1
157.09979	1.4
157.13367	0.7
158.09215	0.7
159.07698	3.2
159.09146	1.4
161.09543	1.1
162.07753	0.7
163.03882	1.2
163.07330	1.5
163.11171	2.4
164.11588	2.2
166.06133	0.6
167.08073	0.7
167.09268	2.4
167.10573	0.7
169.06024	1.5
169.09741	0.7
169.13406	1.7
171.07896	1.1
171.11401	1.5
171.15005	0.8
172.07271	1.0
173.09251	1.4
173.12854	3.5
178.06108	1.8
179.10684	1.5
181.04898	1.1
183.11209	0.9
183.15027	0.9
185.09531	1.9
186.12381	1.0
186.17032	0.9
187.14363	3.3
189.09041	2.2
189.12286	3.0
190.13029	1.2
194.12845	0.7
195.08896	3.3
195.11302	1.2
197.12878	1.2
199.14360	0.9
200.13940	2.5
200.18344	1.1
201.12364	2.3
203.10629	2.7
207.13803	1.3
208.14145	2.8
209.13940	0.9
211.14368	0.9
213.09058	0.9
215.13966	2.1
226.15329	2.4
227.09079	2.0
228.13484	1.5
228.17867	0.8
229.15500	1.1
231.10091	1.8
238.18004	1.3
249.11226	2.1
249.14893	0.8
254.14865	1.1
256.16595	1.0
256.19000	1.2
267.12265	5.4
270.18185	0.6
308.17383	1.0
371.22937	1.1
388.14694	1.1
388.22821	3.3
388.27725	0.9
389.13477	1.3
389.18045	2.2
389.23804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3254
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03919	2.2
55.01860	2.1
55.05510	4.7
57.07058	6.4
59.04995	4.6
64.68266	2.0
67.05494	17.7
69.07065	13.3
69.07378	2.1
70.09459	5.6
70.09850	4.1
71.04983	6.3
75.39531	1.7
77.03923	1.9
79.05474	15.0
81.07050	58.4
83.04995	2.6
83.08603	7.0
85.06525	4.6
91.05471	19.0
93.07034	50.0
95.08599	45.5
97.06532	6.8
97.10139	2.1
98.21342	2.9
99.08115	2.5
105.07022	28.3
107.08582	100.0
109.06509	3.8
109.10142	45.7
110.10475	2.2
111.08078	10.9
113.09673	3.1
115.08643	2.4
117.06973	3.9
119.08569	28.8
121.10130	62.4
121.10999	3.6
123.08060	3.0
123.11694	79.4
125.09618	4.2
131.08565	8.5
133.10106	22.2
135.11678	19.7
137.09579	2.1
137.13235	7.6
145.10101	9.7
147.11676	15.4
149.13254	40.9
151.11270	1.9
153.12703	7.3
159.11685	9.6
161.13245	18.1
163.11198	2.0
163.14810	11.2
165.12816	2.4
167.14302	35.9
173.11876	2.1
173.13144	9.2
175.14816	10.2
177.12607	3.0
177.16386	4.1
179.14290	6.0
181.15884	3.7
185.99979	1.9
187.14812	6.6
189.16357	13.5
191.14389	3.3
191.17831	2.7
193.15886	2.5
201.16357	14.7
203.17984	12.4
207.17462	3.1
213.16499	2.4
215.17982	8.7
217.19518	3.5
219.17366	15.2
221.19154	2.7
229.19447	2.1
233.18918	3.3
241.19847	2.1
243.21074	2.4
276.09546	1.8
351.30450	3.7
369.31442	30.8
387.32538	57.1
388.32797	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17195	1.0
53.03929	4.5
55.01859	8.4
55.05494	4.4
56.05035	2.1
56.87069	1.0
57.03428	6.8
57.91929	1.0
58.02095	1.0
58.06586	2.4
60.04509	1.9
61.02915	6.8
67.05476	4.6
68.99773	2.5
69.03418	36.2
69.07059	5.6
70.06586	31.2
71.04983	5.6
71.75873	1.6
72.08133	4.5
73.02895	8.0
79.05488	6.4
80.04978	1.2
81.02964	1.8
81.03409	23.8
81.07037	6.3
82.06555	3.1
83.06049	1.5
83.08610	1.3
84.04488	5.1
84.08122	7.7
85.02890	100.0
86.09692	32.0
87.00288	2.3
87.00816	39.6
87.10022	4.8
91.03917	2.3
91.05466	6.9
93.07025	3.5
94.06567	1.4
95.04955	2.9
95.08598	5.3
96.08070	2.7
97.02876	31.4
97.27930	1.1
98.09570	1.2
99.04436	12.4
103.03922	1.3
103.05418	2.2
105.01847	67.7
105.07014	81.6
106.07345	3.3
107.04913	2.0
107.07304	1.4
107.08552	2.5
108.04443	3.3
108.08115	1.9
109.02863	29.0
110.07156	2.5
110.09662	2.4
115.03932	1.0
117.01828	2.9
119.04905	4.0
119.08534	3.9
120.08120	5.0
121.10122	2.3
122.09618	2.3
123.04385	3.9
126.05486	2.0
127.03899	75.5
129.01849	2.4
129.06935	1.1
129.10191	2.7
130.08600	1.1
131.08539	1.5
133.06398	1.2
133.10112	1.3
136.07545	2.5
139.03911	1.7
145.04930	35.0
146.11708	3.2
147.02852	3.5
147.04378	18.6
147.08043	2.0
148.04703	2.0
159.02861	13.3
163.03854	3.7
164.04153	2.4
165.05475	2.6
188.03398	1.9
189.03906	3.9
194.55980	1.0
195.08066	1.7
213.03835	3.3
213.09032	3.0
220.16916	6.6
221.17325	1.2
222.18549	10.3
223.18770	1.5
226.10834	4.2
231.04980	31.2
231.10072	1.9
237.19508	1.3
238.17923	11.7
238.68083	2.0
239.18610	12.1
239.68913	2.3
240.19565	27.0
241.19908	7.3
244.18201	1.6
248.07590	2.5
249.06068	12.2
256.19116	2.5
307.19513	1.5
320.70288	1.8
357.10892	1.4
370.10544	1.8
378.71249	2.1
387.58139	3.1
387.71442	7.8
387.91806	1.7
388.15735	5.9
388.21899	11.1
388.26672	2.1
388.72855	2.4
388.77432	4.8
389.12543	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	387.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05420	0.5
55.01855	0.9
55.05502	3.1
56.05017	2.1
57.03423	1.5
58.06582	0.5
60.04519	2.4
60.05640	9.0
61.02913	0.6
61.04036	0.4
65.03925	0.8
67.05496	6.1
68.05012	1.2
69.03420	2.1
69.07065	1.7
70.02954	0.8
70.06582	100.0
71.04971	5.8
71.06898	1.1
71.68555	0.9
72.08144	15.3
74.02416	1.0
74.06069	1.6
79.05486	4.3
80.04999	3.1
81.03416	1.5
81.07042	3.8
82.06572	2.1
83.04990	0.9
83.06104	0.6
84.04485	4.2
84.08125	7.4
85.02898	4.3
86.06049	2.6
86.09695	12.2
87.05595	0.5
88.03975	3.7
88.07603	3.1
89.03897	1.2
89.06002	0.9
90.05515	1.1
91.05457	3.8
93.05795	1.1
93.07009	2.5
94.06554	2.1
95.04951	5.0
95.08592	2.3
96.08110	1.1
96.65597	0.6
97.02893	1.1
97.06513	0.6
97.07675	0.7
98.06039	3.2
99.04466	1.2
101.07104	0.7
102.03264	0.4
102.05553	0.8
105.07057	3.1
106.06522	2.4
107.04949	1.0
107.07323	3.9
107.08534	2.7
108.08105	1.7
109.06496	1.3
109.10117	0.9
110.06042	0.9
110.07168	1.5
110.09685	0.9
112.08707	18.5
112.09486	1.0
113.08302	0.5
115.08674	3.5
116.03472	1.3
116.07114	1.7
117.03394	1.1
117.06997	1.1
119.08576	3.1
120.08076	3.2
121.06529	0.6
121.10154	1.9
122.06017	0.6
123.08059	1.8
124.07606	0.7
124.11216	4.8
125.09646	0.5
127.03888	1.6
127.08675	2.2
129.10216	3.5
130.05022	1.1
131.08595	1.0
132.08163	0.5
132.10208	0.5
133.06468	1.1
133.10159	1.5
134.04446	2.8
134.09641	1.3
135.04416	2.6
135.08139	0.8
135.11682	1.2
136.07587	1.3
137.05956	0.5
137.09673	0.7
138.09145	0.7
140.08160	4.4
141.06668	0.6
141.10225	1.0
143.11720	0.5
145.02864	1.8
145.10072	1.5
147.04396	1.4
147.07808	0.7
147.11678	1.5
151.09703	1.1
152.10725	0.9
153.09135	0.9
155.08151	2.7
157.09665	0.7
157.10823	4.4
158.09254	0.9
159.11740	0.6
161.09641	1.0
161.13225	0.8
163.03888	8.5
163.11195	2.2
164.04289	0.5
165.12714	0.7
168.14999	1.5
169.09801	0.6
169.13341	8.2
170.11772	1.9
171.11572	0.7
173.13191	0.7
175.11900	3.0
177.05493	1.1
180.17484	0.8
181.12242	0.9
183.14958	1.4
185.09215	0.6
185.16600	0.5
187.10800	1.4
189.12717	1.3
190.15868	2.7
191.08562	1.6
192.13847	0.7
194.12915	1.6
195.08083	1.1
196.14461	2.5
197.12920	1.9
199.10960	0.5
200.14366	1.1
203.10231	2.3
206.15390	2.6
207.13768	22.4
208.14131	1.5
208.16998	3.9
209.13881	1.7
211.15541	17.3
212.15927	0.7
214.15504	0.7
215.13988	1.2
218.15372	12.8
219.08066	2.4
219.15617	0.7
224.16541	0.7
225.14879	1.8
225.16972	1.1
226.18048	1.1
228.18207	2.7
231.16911	0.8
236.10785	2.4
236.16403	13.6
237.16922	0.6
238.12228	1.7
239.15115	0.6
240.10223	1.5
240.16974	0.6
253.13307	5.9
253.19177	1.0
254.11775	1.0
254.17465	12.8
255.17920	0.5
256.17621	3.0
257.16025	5.7
263.74081	0.6
268.16553	0.7
269.08090	0.6
271.20242	1.3
272.18542	10.6
274.13879	1.0
274.18698	8.7
281.68878	0.6
282.11240	3.0
295.14407	1.2
299.13928	4.9
307.49054	0.5
324.12238	0.6
328.11829	0.8
341.14896	7.4
342.15317	1.1
345.14496	1.4
351.19168	0.6
368.99780	0.5
369.20300	3.0
370.24478	4.5
387.21338	92.7
387.27164	91.2
388.01138	0.6
388.21674	6.8
388.27457	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	387.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05496	1.3
56.05025	2.3
57.03424	0.3
60.04520	4.8
60.05642	1.5
61.02912	0.3
67.05497	0.7
68.04999	0.4
69.03423	1.1
69.07048	1.7
70.02938	0.6
70.06581	100.0
71.04987	0.9
71.06916	2.3
71.19685	0.6
72.08144	9.4
74.02425	0.5
74.06062	3.2
76.03986	0.4
79.05479	0.8
81.03422	0.7
81.07061	0.7
82.06563	0.6
83.04986	0.7
83.06081	1.0
84.04493	6.4
84.08131	8.7
85.02882	1.9
85.04816	0.5
85.08477	0.4
86.06079	0.3
86.09694	32.8
87.05585	1.4
87.10033	1.0
88.03983	1.7
90.05534	0.5
91.05481	1.2
93.07019	0.9
95.04945	2.4
95.06026	0.5
95.08597	0.8
97.02882	0.6
97.06555	0.4
98.06067	0.8
98.65350	0.3
99.04464	0.6
99.05537	0.3
99.67723	0.3
101.07109	0.6
102.05516	2.1
104.05293	0.6
105.07056	0.6
106.05005	0.7
107.04925	0.8
107.08557	0.6
108.76368	0.3
109.02860	0.4
109.06499	0.6
110.07162	4.2
112.07598	0.8
112.08707	2.8
113.07109	0.8
114.09373	0.3
115.08690	2.1
116.07076	2.2
117.03295	0.4
119.08569	0.7
120.06569	1.3
120.08083	2.5
121.06474	0.4
121.10114	0.6
122.02756	0.4
122.06041	0.4
126.05512	0.5
127.03917	0.4
127.08659	32.5
128.07112	0.5
129.06586	0.4
129.10226	4.8
130.04997	1.7
130.08578	0.5
132.08093	0.4
133.06102	1.0
133.10114	0.4
135.04439	0.7
136.07561	1.6
137.09558	0.4
138.05444	0.7
139.08636	0.6
140.07085	0.7
140.08170	0.6
141.10216	0.7
142.39709	0.3
143.11806	0.9
144.06580	0.4
145.02872	0.7
145.10078	0.4
147.04419	2.8
147.07712	0.8
148.06042	0.7
149.09587	0.5
151.07507	0.7
152.10739	0.4
153.05443	2.2
155.08128	26.8
155.11725	0.6
157.09691	6.1
157.10829	0.8
158.09180	0.5
159.07732	1.0
159.09140	0.5
161.09425	0.4
161.13240	0.4
163.03918	3.0
163.11163	0.4
167.08238	0.4
169.08575	0.7
169.09819	0.5
169.13426	0.9
170.06044	0.5
171.11342	0.9
173.09254	1.3
173.12849	1.8
175.11880	1.7
177.05556	0.7
177.07037	0.3
181.09729	0.5
183.14908	4.5
185.09175	5.0
185.16521	0.4
186.12349	0.4
187.07269	0.3
187.10767	8.1
187.12343	0.6
189.12294	1.7
191.08508	0.9
193.09981	0.4
195.06538	1.0
195.11349	0.3
197.10342	0.3
197.12831	0.6
199.10864	1.1
201.12311	1.1
203.10338	1.0
203.13893	2.3
207.13748	1.7
209.13800	0.4
211.14371	1.0
211.15976	0.4
215.13884	1.7
217.08328	0.4
217.11887	1.2
219.08040	1.5
220.17065	0.5
223.07655	0.5
225.14867	1.9
225.16899	0.5
226.15390	0.5
231.09927	0.5
233.14954	1.0
236.10727	1.3
238.12183	0.8
238.17952	0.5
240.10234	0.6
240.17015	5.0
253.13347	3.9
254.11667	0.5
254.15074	0.4
256.12900	0.7
257.15863	0.5
258.19720	0.3
265.08548	0.7
268.16525	10.7
272.16327	0.4
274.13931	1.4
274.18762	0.6
282.11316	1.3
286.17749	0.7
295.14398	0.9
298.14505	0.6
298.17487	2.4
299.13882	2.3
300.19217	0.9
302.15781	0.8
312.19162	0.8
328.11707	0.4
330.20206	0.9
340.03674	0.3
341.14923	4.3
345.14352	0.7
351.20285	0.6
369.21237	4.4
372.47635	0.3
387.14551	1.1
387.22430	11.9
387.27194	8.1
388.15222	0.8
388.22763	1.4
395.74774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2006
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
52.37151	1.4
55.05498	8.3
56.05027	3.0
57.07055	4.4
57.84915	1.3
58.18510	1.4
59.04976	1.8
60.04511	2.8
62.90203	1.3
67.05493	21.6
69.03407	5.7
69.07046	6.7
69.65556	4.7
69.65990	7.0
70.06583	37.8
71.04971	3.3
72.08154	16.0
74.06056	3.0
74.13006	1.3
79.05464	3.2
81.07044	5.5
82.06568	1.8
83.04953	1.9
84.04491	12.6
84.08128	41.4
85.02881	6.2
85.06536	12.8
85.08451	1.4
86.09692	100.0
87.10004	2.3
88.03938	2.0
91.05461	12.4
92.31866	1.8
93.07028	6.4
94.06546	2.3
95.04970	2.9
95.08594	84.7
97.02855	2.6
98.21407	2.2
101.07161	1.7
101.10775	2.0
102.05581	1.5
104.05300	2.0
105.07007	6.2
107.08586	7.5
108.08102	2.3
109.06483	2.9
109.10175	2.1
110.07151	6.9
112.08698	3.9
113.05978	11.1
115.08766	1.5
116.07037	3.5
117.06943	1.7
119.08566	12.8
120.08092	12.4
121.06532	2.5
121.10126	6.5
123.08054	31.5
123.11684	2.5
129.10226	25.4
133.10141	2.2
135.07988	1.6
135.11690	17.4
136.07573	6.3
137.09570	3.1
139.03825	1.5
139.07526	1.9
144.06569	12.4
147.07776	1.8
147.11623	5.4
148.06018	1.5
149.09589	22.8
151.07468	3.5
151.14830	3.3
155.08089	1.8
157.13373	8.9
161.09204	16.6
161.13249	13.1
163.11211	8.0
165.12762	7.4
171.11382	1.8
179.14288	4.7
185.12790	9.5
189.12682	15.8
197.16495	1.7
199.18027	3.6
203.13905	12.6
207.13773	66.5
220.16890	3.5
222.18393	1.6
225.14836	2.0
226.10867	11.7
238.18039	6.6
242.18578	2.5
274.17569	3.3
298.21185	3.3
306.18799	25.4
306.69049	5.1
386.71121	2.4
387.21710	5.4
387.26111	1.8
387.29538	5.7
387.71613	1.8
388.15912	4.0
388.20377	8.2
395.52567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32101	0.5
55.01849	0.5
55.05500	2.0
56.05029	2.5
57.03446	0.7
60.04521	3.3
60.05638	2.2
65.03927	0.7
66.91697	0.5
67.05484	1.0
67.84258	0.5
68.05008	1.1
69.03416	1.1
69.07063	0.8
69.95971	1.2
69.96378	2.1
70.02940	1.4
70.06584	100.0
71.04980	1.1
71.06918	2.2
72.08145	16.6
74.02431	7.6
74.06072	2.6
74.86806	0.5
79.05491	0.8
80.05003	0.6
81.03415	1.3
82.06537	0.6
83.06102	1.8
84.04504	8.8
84.08134	13.1
85.02897	4.5
85.06519	0.6
85.08485	0.9
86.06044	1.1
86.09698	26.9
87.05595	1.3
88.03979	3.3
90.01776	1.2
91.05482	3.4
92.04997	1.8
94.06532	0.6
95.04967	0.6
95.06094	0.8
96.04526	0.6
97.02892	2.1
97.07616	0.7
98.06028	1.1
101.07132	1.4
102.05556	2.2
105.07040	0.8
106.04996	0.5
107.08562	0.8
108.04491	0.7
108.08102	1.4
109.02889	0.7
110.02417	0.8
110.06030	45.2
110.07116	3.9
111.04475	0.8
111.06356	0.7
112.07595	13.0
112.08721	2.7
114.06628	0.5
114.10287	0.7
115.08698	2.5
116.03452	1.5
116.07086	4.5
117.03403	0.9
119.04898	0.7
120.06499	0.5
120.08125	1.4
121.06513	0.8
123.04435	0.6
124.03968	0.7
126.06715	0.5
127.03914	0.9
127.08698	2.2
129.06642	0.6
129.10222	6.6
130.05025	3.1
130.10619	0.7
133.02847	0.7
133.06096	0.7
134.05984	3.0
135.03044	0.8
135.04413	1.4
136.02296	1.5
136.03932	1.0
136.06163	3.5
136.07584	1.3
140.07068	9.8
140.08128	0.9
141.06566	0.6
141.10185	2.8
142.09738	0.6
143.11859	1.1
145.02869	1.2
145.04968	0.8
147.04413	1.1
147.07692	2.3
148.05977	0.7
152.07071	0.9
153.10266	0.6
155.08139	1.9
156.07700	0.8
157.09711	2.5
157.13412	1.7
158.09317	1.5
159.07718	0.9
161.07108	3.8
163.03871	5.0
167.08264	0.6
169.09683	2.8
169.13371	0.7
171.11288	0.9
173.09253	2.5
173.12833	1.0
175.11894	3.5
177.03366	0.5
177.05444	0.7
178.08543	0.6
179.08142	6.9
181.09851	0.6
183.14874	1.1
183.56151	0.6
185.09221	1.1
185.12885	1.9
185.16472	0.9
187.10753	6.4
190.04985	0.8
191.05374	0.6
194.45956	0.6
199.12074	0.7
203.10251	35.1
207.07581	7.2
207.13802	2.1
209.09099	0.7
211.12161	0.5
211.14241	1.0
217.11926	2.3
219.07954	0.8
219.15691	0.6
223.04256	2.7
225.08675	30.3
226.08917	0.7
231.09827	0.8
236.10738	1.3
240.10027	0.6
240.13371	1.1
253.13399	2.1
254.15173	0.7
254.17632	0.7
260.97369	0.7
267.09885	1.0
268.13016	1.6
268.64648	0.5
272.17200	0.7
274.14011	2.2
286.70584	0.8
295.14426	0.7
299.13998	1.7
341.14972	2.9
369.13016	1.1
369.17725	3.0
369.21863	0.9
370.20334	1.9
386.72766	0.9
387.08740	1.0
387.14182	1.1
387.22882	11.4
387.27277	5.5
387.71536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
55.57693	0.6
56.05023	1.6
60.04512	2.3
60.05622	0.8
67.05514	0.7
69.07045	1.7
70.02917	0.8
70.06582	28.9
71.60477	1.4
71.60803	0.6
72.08143	11.2
74.06049	1.4
81.07019	1.2
84.04495	4.7
84.08130	13.6
85.02880	2.3
86.09694	24.0
87.05566	0.9
87.10017	0.7
88.04015	0.8
91.05481	1.4
93.07002	0.8
95.04926	1.1
101.07092	0.9
102.05524	1.5
107.04939	0.8
107.08576	1.5
110.07124	2.5
112.08699	1.6
116.07076	2.0
119.04893	0.8
120.08093	2.5
124.56087	0.6
129.10213	6.6
136.07509	1.8
141.06828	0.7
143.11800	2.0
147.04404	2.2
150.09131	2.8
151.08623	1.6
153.05481	4.4
153.06639	1.1
157.09703	1.4
163.03928	1.7
165.06934	3.2
165.10213	2.1
167.08533	10.3
171.11246	0.9
173.12857	1.5
175.11911	1.0
177.05568	1.0
177.06985	3.5
178.07742	4.1
179.08545	2.2
181.06488	0.9
181.10004	2.1
186.12314	1.0
187.10767	1.7
187.92918	0.8
189.12387	1.5
190.07790	1.6
191.08524	25.3
192.08972	0.8
193.06375	0.9
193.10081	5.5
194.07329	1.6
194.09457	0.6
195.06435	2.3
195.07996	9.2
199.10785	0.6
200.13921	0.8
201.06975	1.0
201.12325	1.9
202.07710	2.9
202.29755	0.7
203.08534	5.3
203.58195	0.6
205.06453	1.7
207.08067	3.2
207.13792	2.5
208.08794	2.7
208.11104	1.4
209.09639	4.1
210.09068	1.2
212.10640	3.2
217.11713	3.5
218.07465	1.4
218.09665	1.9
219.08022	29.7
220.08276	0.7
221.06126	0.7
221.09621	7.0
222.09183	0.9
223.07481	6.6
224.10684	2.7
225.09084	2.0
225.11298	1.2
225.14969	0.7
227.06880	1.6
229.15430	2.5
236.10678	30.2
237.09042	2.3
237.11131	2.0
238.12253	16.8
240.10162	21.2
240.12689	1.0
241.08534	1.1
247.07536	2.5
251.06972	1.2
253.13329	79.5
254.11610	14.4
254.13734	2.2
264.10071	3.4
265.08536	10.2
266.08899	0.7
267.09811	1.0
269.08038	4.2
278.11642	1.1
282.11191	39.9
283.11517	2.1
286.10751	2.2
295.14371	20.2
299.13861	57.6
300.11639	4.0
311.09280	2.2
323.13837	1.9
324.12228	5.4
327.13455	1.4
328.11722	9.7
341.14911	100.0
342.15085	4.1
345.14413	22.8
346.14786	1.1
369.12979	2.0
370.12753	2.7
387.15436	22.9
387.23492	2.8
387.27100	2.2
388.15225	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	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.5
57.03417	24.3
57.07044	8.9
67.05219	7.5
67.05498	80.1
68.79665	6.3
69.07068	32.3
69.93552	44.2
70.06573	18.4
79.05484	81.2
81.07049	100.0
83.08602	19.7
84.04461	7.4
86.09682	7.6
89.13596	6.8
91.05463	69.6
93.07040	87.4
95.04965	8.0
95.08598	61.3
97.06528	8.4
97.10107	12.2
105.07019	57.4
107.08564	64.4
108.08121	6.7
109.06495	8.3
109.10145	28.1
117.06985	23.7
119.08555	50.0
121.10145	42.9
131.08554	34.9
133.10085	57.3
135.11705	38.4
138.92494	6.8
143.08575	7.3
145.10107	32.0
147.11641	35.6
149.13243	20.9
157.10118	9.5
159.11647	23.3
161.13220	26.8
163.03854	10.0
163.14735	7.5
171.11658	16.6
173.13208	10.0
175.14812	19.6
177.12711	15.5
185.13281	18.1
199.14841	11.2
201.16354	8.2
219.17302	7.8
220.17072	10.0
221.18927	7.7
231.21152	9.5
236.40202	7.1
238.17924	12.6
239.18269	7.7
240.19511	17.7
241.19469	15.7
251.91637	7.0
259.20572	65.4
277.21600	38.5
305.86475	8.4
351.25192	61.0
373.03329	8.1
386.24445	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	386.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37425	4.4
55.01847	4.5
55.05508	36.3
57.03419	8.7
59.11141	4.6
59.42812	4.5
65.31070	5.0
67.05168	6.8
67.05501	100.0
69.07056	22.4
70.06587	34.2
71.04975	7.8
71.75446	8.8
71.75824	5.8
75.97546	5.1
79.05476	60.6
81.07047	77.6
83.04956	5.2
83.08614	15.8
85.06560	6.7
91.05455	35.1
93.07033	49.5
93.79334	5.0
95.04959	8.3
95.08608	40.5
97.06525	8.6
97.10162	19.7
105.07008	30.2
107.08581	61.2
109.10155	54.1
115.08618	4.8
117.07000	11.0
119.08547	23.7
121.10133	23.2
123.11695	9.9
125.09631	16.7
127.08666	8.0
131.08545	15.4
133.10080	31.3
135.11711	26.7
145.10081	12.5
147.11690	17.2
149.13225	15.9
151.11194	7.6
155.08119	6.3
157.09973	5.0
159.11671	10.6
161.13264	11.2
165.12744	18.5
173.11777	8.3
175.14870	8.4
189.11198	7.0
193.16095	5.6
220.16985	6.5
227.12604	7.9
229.14374	6.1
238.18037	11.6
240.19496	10.0
241.19574	10.6
245.13913	7.2
259.20566	29.6
277.21579	60.6
283.17758	5.8
328.92178	6.0
351.25217	97.6
369.26508	5.9
386.20416	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	386.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
56.05027	2.0
65.03923	0.6
67.05497	6.5
68.04996	0.9
68.25957	0.5
69.07054	0.6
70.02938	2.0
70.06584	8.6
70.86218	0.4
70.88422	0.4
71.04980	0.7
71.44315	1.0
72.04496	0.8
72.08147	1.2
74.02412	1.2
74.06059	0.7
74.09680	0.6
79.05479	3.4
80.04999	3.0
81.07051	3.1
82.06562	2.7
83.08617	0.6
84.04482	1.1
84.08144	4.0
84.08584	0.7
86.06068	2.4
86.09689	1.3
87.05580	5.6
88.03976	1.2
91.05473	1.3
93.07040	2.2
94.06560	1.8
95.04975	0.6
95.08591	2.1
96.04444	0.5
96.08108	1.2
97.10177	0.7
101.07138	0.8
105.07009	1.2
106.05943	0.5
106.06515	2.6
107.07333	4.0
107.08577	1.3
108.08108	2.9
109.06496	0.9
109.08926	0.4
110.06042	0.5
110.07142	0.8
110.09694	0.7
112.07565	1.4
116.03445	0.6
117.06995	0.8
119.08548	0.5
120.08108	3.3
121.06503	0.4
121.08937	0.5
122.09643	1.1
123.05515	0.5
124.07605	0.7
124.11212	3.8
129.06635	0.5
129.10182	0.7
131.08582	0.7
133.06078	5.1
134.02748	0.5
134.09637	1.7
136.06139	0.7
136.07550	0.8
138.09090	2.3
138.12778	0.7
140.07027	0.6
146.09613	0.6
148.11208	0.6
162.12807	0.5
163.03923	0.8
170.11714	2.7
174.12837	0.7
180.13887	0.6
188.14316	0.8
190.15865	3.5
192.13808	0.8
200.14276	1.2
201.12514	0.5
206.15346	2.6
207.13815	0.5
208.13632	0.4
208.16927	5.4
217.16986	1.8
218.15376	13.2
219.13797	0.5
219.15717	0.5
220.82492	0.4
224.16463	0.7
226.18007	1.7
235.18037	2.6
236.16425	15.2
237.16713	0.8
238.17967	2.7
253.19046	6.1
254.17476	18.9
255.10965	0.4
255.17789	1.1
271.20209	5.9
272.18494	10.0
273.18988	0.7
279.20859	0.7
281.22223	2.2
297.21689	6.2
325.21320	0.7
351.19168	1.5
368.21664	0.6
369.20166	42.9
370.20477	2.7
386.22803	100.0
387.23117	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	386.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.3
55.01851	1.3
55.05502	6.9
56.05027	3.1
56.05827	0.4
57.03422	0.8
57.07070	0.3
58.06359	0.4
58.06588	4.7
58.82859	0.3
59.05000	1.5
60.04505	0.8
62.69669	0.3
63.02356	0.4
65.03921	0.8
67.05491	6.7
68.05019	1.8
69.03411	1.0
69.07055	9.1
69.70792	0.8
69.71305	1.1
70.02944	0.3
70.06579	33.5
71.01332	0.5
71.04964	1.2
71.06896	1.2
72.08143	4.4
74.06067	4.4
79.05478	9.3
80.04989	1.7
80.05791	0.5
81.05769	0.9
81.07047	6.2
82.06558	4.7
83.04956	0.8
83.06907	0.4
83.08604	2.1
84.04482	3.0
84.08134	5.7
84.92516	0.3
85.02877	1.2
85.06530	0.8
86.06053	1.4
86.09691	9.1
87.04446	1.3
87.05573	0.7
87.10011	0.3
88.03964	0.9
89.02380	0.4
89.03899	5.6
89.06005	0.7
90.04205	0.4
91.05464	5.2
93.03368	0.7
93.05773	0.7
93.07023	5.1
94.06548	7.5
95.04953	1.4
95.06822	0.3
95.07339	0.6
95.08588	3.3
96.08113	9.1
97.06503	0.6
97.08381	0.4
97.10149	1.7
98.09655	1.2
101.06021	0.3
102.05487	0.5
103.03910	0.9
103.05442	1.0
105.03338	0.5
105.07008	3.4
106.06514	0.8
106.07287	0.3
107.04947	2.9
107.07324	4.2
107.08556	3.5
108.08104	13.1
108.08859	0.6
109.06508	0.7
109.08928	2.5
109.10118	1.2
110.03609	0.4
110.05994	0.4
110.07138	1.3
110.09682	4.3
111.04427	3.3
111.08060	0.3
111.10028	0.4
112.08678	0.7
115.05435	0.6
117.03361	6.1
117.06991	1.2
119.04935	2.3
119.08560	2.5
120.08089	4.4
121.06482	0.7
121.08922	0.8
121.10129	1.1
121.25758	0.3
122.09651	7.6
123.04414	5.6
123.10410	1.4
123.11664	0.3
124.04823	0.3
124.11235	2.8
125.09539	0.3
128.06165	0.7
129.06993	0.8
129.10226	2.9
130.04993	1.0
130.06537	0.3
130.40009	0.4
131.04909	0.7
131.08559	1.9
132.08083	0.5
133.06154	0.3
133.08592	0.6
133.10054	1.5
134.09615	1.8
135.04391	16.4
135.10478	0.4
135.11653	0.4
136.03836	0.4
136.04730	0.8
136.07545	1.0
136.11192	1.5
137.02313	0.8
137.05930	1.4
138.09087	0.5
138.10933	0.6
139.03888	5.3
140.04277	0.5
140.07028	0.3
141.06955	2.5
143.04883	0.7
143.08542	1.1
143.11794	0.4
144.06512	0.7
144.08099	0.3
145.02817	11.1
145.03975	0.5
145.06474	1.0
145.10056	1.6
146.09572	0.6
147.04381	11.2
147.07701	0.7
147.11510	1.4
148.04739	0.5
148.11125	0.7
149.02327	0.5
149.05957	0.7
150.12810	0.8
151.03949	0.3
153.06966	0.9
154.07710	0.4
155.08411	1.4
157.06425	0.6
157.10043	0.4
159.07919	0.5
159.11656	0.6
160.05092	0.3
160.11153	0.4
161.05911	2.2
161.13173	0.4
162.07600	0.6
163.03871	100.0
163.11131	0.8
164.04202	5.5
164.07048	0.4
164.14290	0.4
165.06926	0.6
166.07629	0.5
167.08519	1.1
169.06436	2.5
169.10037	0.6
170.11728	1.4
171.07962	0.6
171.11551	0.5
172.11073	0.4
173.05946	4.0
173.12964	0.3
174.06477	0.6
175.07452	0.9
176.14287	0.9
178.15862	0.4
181.04881	0.5
181.06412	0.8
181.10139	0.7
182.07233	0.3
183.08037	1.0
185.05933	0.6
185.13199	0.6
186.06784	0.3
187.07491	3.7
187.57964	0.4
189.09145	0.4
189.12611	0.4
190.15848	1.1
192.13774	0.5
192.17456	2.2
195.08086	1.7
197.05960	1.0
197.09641	0.5
197.12877	0.5
199.07526	1.7
201.05498	0.7
201.08995	1.5
201.12302	0.6
202.15872	2.5
203.07036	0.5
204.13750	1.7
207.08032	0.7
207.13925	0.6
209.09538	1.2
210.14914	0.4
211.07475	1.3
212.08382	0.5
213.05476	0.4
213.09079	2.1
215.06943	1.0
215.10696	0.5
218.15358	2.9
219.15817	0.4
220.16920	41.3
221.17233	4.4
222.14862	3.5
222.18430	3.8
223.07686	0.4
223.11192	0.3
223.15140	0.5
223.18896	0.4
225.09019	0.9
225.14709	0.3
226.15529	0.4
227.10577	1.0
229.10899	0.3
236.16377	3.0
237.09171	0.5
237.16980	1.0
237.19371	0.4
237.67798	0.7
238.17973	63.8
238.68140	2.1
239.10623	0.5
239.18385	7.3
239.69020	0.3
240.07724	1.2
240.19540	10.4
241.08528	0.5
241.17569	0.4
241.19940	0.9
241.66690	0.7
244.18013	0.3
250.18176	0.5
253.08519	0.4
253.12762	0.6
253.66576	0.3
254.17456	1.1
254.65608	0.6
255.04837	1.5
256.19022	5.2
257.19254	0.6
263.66129	4.3
264.16125	0.4
264.17810	0.3
267.66400	1.1
268.16632	0.3
269.66193	1.0
272.16125	0.5
273.68457	0.4
275.21152	0.4
275.66382	0.5
276.67010	6.7
277.17212	2.1
279.13724	0.4
281.66153	1.1
282.15955	0.4
282.66620	0.4
283.65695	0.7
287.67960	1.8
288.18170	0.6
289.67740	0.9
290.66644	10.2
291.16718	2.6
292.66611	0.4
293.22150	0.5
296.19257	0.6
296.68518	5.9
297.06024	2.0
297.14789	1.4
297.18665	2.9
297.69144	1.0
301.18488	0.6
301.67679	1.5
302.17599	0.5
305.19800	9.0
305.23126	0.5
305.69965	3.3
306.19653	0.6
309.15009	0.4
310.18988	8.6
310.68304	16.6
311.18420	6.1
315.15912	2.7
318.69058	0.6
319.19553	20.6
319.69672	7.2
320.19232	0.7
325.14304	0.5
327.15704	0.6
328.20050	24.1
328.70218	8.0
329.20493	0.7
337.17807	0.5
354.20511	0.4
355.19260	0.6
357.67654	1.2
358.18018	0.7
366.26340	1.6
368.19952	0.5
369.21066	0.4
372.21530	2.1
373.21924	0.4
377.20355	1.0
377.69440	0.9
379.90253	0.5
380.27951	0.7
380.56894	0.6
382.20108	0.6
385.56772	0.8
385.69943	2.4
385.90973	1.3
386.20569	33.5
386.26556	1.7
386.57797	3.7
386.70724	13.0
386.91101	1.7
387.14151	0.4
387.20801	1.2
400.21036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01862	2.4
55.05493	3.7
56.05024	9.0
57.03432	32.1
58.06585	2.7
59.04985	1.9
60.04514	4.8
60.05645	1.2
61.01144	2.3
61.02917	15.0
62.28726	0.8
67.05489	2.3
68.05019	1.4
69.03421	30.8
69.07047	3.5
70.02951	1.7
70.06585	77.1
70.21430	4.3
71.01335	2.5
71.04984	2.1
71.06908	7.7
72.08146	28.1
73.02911	66.8
73.08469	3.1
74.02418	0.9
74.06079	11.3
76.03981	1.1
79.05486	2.5
80.04978	1.2
81.03397	5.9
81.07056	3.4
82.06566	1.9
83.04942	2.0
83.06096	1.2
84.04490	14.8
84.08135	28.6
85.02895	100.0
85.06541	1.1
85.08451	2.1
86.09698	35.3
87.04465	5.8
87.05569	3.0
87.10033	2.0
87.39500	0.9
88.03965	3.4
90.05536	2.0
91.03955	6.1
91.05470	5.4
93.07024	4.1
94.06561	1.9
95.04943	1.3
95.06042	1.1
95.08584	2.9
96.04474	1.2
97.02884	47.4
98.06012	1.5
99.04427	5.0
101.02386	0.9
101.07100	3.8
102.05521	3.3
103.03914	1.3
103.05444	2.8
103.11690	1.0
104.05299	3.3
104.15775	1.0
105.07008	3.7
105.97830	2.2
107.04946	2.7
107.08578	1.8
109.02856	7.7
109.06508	1.4
110.07147	9.1
110.09642	1.0
110.93941	2.2
111.09163	0.9
112.07542	1.2
112.08715	3.4
113.07090	1.8
115.03915	34.9
115.08665	2.0
116.03459	0.8
116.07066	2.6
117.03274	1.0
119.04907	3.6
119.08524	2.0
120.06647	1.1
120.08083	7.7
121.06498	1.2
121.10114	1.9
122.02744	1.3
123.08065	1.5
126.05488	1.7
127.03905	32.3
127.08679	4.7
129.06572	1.0
129.10228	16.3
130.04947	2.6
130.08669	4.2
131.04938	5.5
132.06596	2.2
132.10190	1.2
133.04947	9.2
133.06084	3.0
133.10129	1.1
135.04384	1.5
135.06741	1.6
136.07559	16.1
136.08542	1.5
137.07880	1.2
138.05460	1.0
138.09090	1.4
139.11162	1.6
140.10782	0.9
141.10129	1.2
144.06552	1.3
145.04942	66.6
145.10065	2.0
147.04410	1.2
147.11241	5.1
149.09663	1.0
149.27042	0.8
150.07594	4.1
150.08992	0.8
151.07561	1.9
155.08177	3.2
157.09720	2.4
158.09222	1.2
161.09576	1.5
162.92656	0.8
163.03856	3.0
163.06004	35.7
163.07391	2.0
163.11148	6.5
165.99049	0.9
166.08560	0.9
167.06978	2.3
169.13321	2.7
170.13675	1.5
173.09247	1.8
173.12904	1.1
174.09166	2.1
175.10677	1.9
175.12006	2.1
177.05421	1.7
181.12228	1.4
183.11382	1.0
183.14903	2.2
185.09171	1.8
185.16495	2.4
187.10876	1.1
188.07243	1.5
189.12640	1.7
192.10039	1.4
198.13107	1.1
206.15414	2.4
207.12146	1.0
207.13808	4.4
213.15956	2.6
215.13936	4.4
219.11369	2.2
220.16983	1.0
223.05965	3.7
225.14786	1.9
226.15515	1.4
228.17061	1.2
229.15442	1.5
233.09662	1.6
236.16434	2.9
237.12625	11.6
238.12340	1.5
238.18176	1.0
241.07027	4.7
246.18138	4.3
254.17444	2.8
256.12854	2.2
259.08127	4.8
261.09052	1.9
267.11697	1.8
273.17444	1.6
283.14203	1.4
287.17990	2.1
295.10336	4.9
368.21591	1.4
369.19339	4.2
386.22781	8.2
386.26422	3.6
387.15820	1.2
387.22797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01852	2.6
55.05501	3.8
56.05030	4.9
57.03429	33.0
58.06579	2.0
59.04985	1.1
60.04505	3.9
61.02919	14.0
67.05492	1.6
69.03421	30.4
69.07042	3.4
69.90263	5.6
70.06583	66.5
71.01324	3.2
71.04984	2.8
71.06914	6.2
72.04495	1.2
72.07790	1.5
72.08147	21.4
73.02907	65.6
73.08478	2.2
74.06064	8.0
79.05468	1.8
81.03413	6.0
81.07038	1.5
82.06544	2.1
83.06095	1.5
84.04491	12.3
84.07677	1.5
84.08133	19.7
85.02893	100.0
85.08444	1.0
86.03251	1.1
86.09695	27.2
87.04444	3.2
87.05577	2.5
87.09996	2.0
88.03977	1.9
91.03952	5.7
91.05454	4.4
93.07022	2.3
94.06547	1.9
95.04905	1.1
95.08598	1.4
97.02878	46.7
98.06029	1.5
98.20744	2.2
99.04436	4.8
101.07086	2.3
102.05534	2.6
103.03900	1.0
103.05405	1.3
104.05295	1.2
105.07001	2.0
106.04914	1.0
107.04948	2.7
107.08569	1.0
109.02888	7.5
110.07160	7.0
111.04377	1.1
112.07555	1.2
112.08691	2.5
113.07117	1.5
115.03917	35.0
116.07043	3.2
119.04941	2.1
119.08530	1.2
120.08075	8.8
121.06448	1.5
127.03903	32.1
127.08650	5.7
127.09837	0.9
129.10213	10.2
130.08601	2.2
132.06575	2.3
132.10143	1.2
132.30063	0.9
133.04974	10.8
133.05972	1.9
134.38838	0.8
136.07564	13.0
138.09193	1.2
139.08675	1.5
141.10217	0.9
144.06508	1.5
145.04941	64.3
147.11264	1.7
150.07561	3.7
151.07486	1.6
154.08476	1.1
155.08113	2.7
161.09483	1.5
163.03899	2.0
163.05994	38.7
163.11131	2.8
167.06978	1.9
169.09694	1.2
169.13356	1.9
171.11296	1.8
173.09357	1.3
174.09129	1.8
175.10674	1.3
183.11258	1.4
183.14825	2.2
185.16426	3.0
188.07271	1.6
189.12669	1.5
197.12785	1.6
198.12968	1.0
206.15341	1.4
207.13776	2.7
213.15924	1.3
215.13828	2.6
219.11342	1.2
220.16985	1.1
223.05936	3.7
225.10229	1.3
225.14880	1.4
236.16420	1.6
237.13428	7.9
238.11862	1.1
238.17931	1.1
241.07123	7.1
256.12833	2.2
259.08109	4.6
272.18381	1.0
283.14389	1.9
287.17749	2.2
295.10168	4.9
351.19296	1.1
369.20029	2.9
386.21912	7.6
386.26132	1.6
388.58990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
55.05481	0.6
56.05008	1.4
57.03411	1.6
60.04501	1.6
60.05616	1.0
61.02923	1.8
67.05479	0.5
68.05009	0.4
69.03100	0.5
69.03423	5.6
69.07020	0.5
69.24503	4.0
70.06580	41.8
71.01333	0.4
71.04977	2.2
71.06909	2.0
72.07766	0.5
72.08147	7.7
73.02903	2.2
74.06046	1.6
81.03381	1.7
82.06581	0.6
83.04956	0.5
83.06080	1.5
84.04491	4.9
84.07639	0.8
84.08128	12.6
85.02898	7.2
85.14634	0.3
86.06013	0.5
86.09699	4.2
87.04477	2.0
87.05545	1.5
88.02200	6.5
88.03960	1.2
89.02520	1.1
90.01746	0.5
90.05531	1.1
91.03931	0.7
91.05469	8.6
93.07024	0.4
95.04945	0.5
95.06062	1.0
95.08565	0.4
96.08108	0.6
97.02868	3.9
98.06026	0.6
99.04415	1.0
101.02346	0.6
101.07121	1.0
101.10764	0.3
102.05508	1.0
104.07082	1.3
107.04914	0.6
108.08112	3.3
108.31617	0.4
108.75276	0.3
109.02830	0.9
110.06043	0.6
110.06319	0.4
110.07146	6.0
111.05552	0.4
112.07565	1.1
112.08706	2.2
113.07085	0.5
115.08652	1.3
116.07081	3.6
117.03326	0.6
117.07435	0.5
119.03506	0.5
120.08079	1.6
123.05486	0.4
123.38570	0.3
124.95779	0.8
127.03912	2.4
127.08652	3.5
129.06537	0.7
129.10217	8.1
130.04982	0.8
130.08597	1.0
130.09619	0.4
133.06085	0.6
134.02690	7.3
134.05942	0.6
135.03099	2.8
135.04395	0.9
136.02231	1.1
136.06163	61.9
137.04771	0.8
137.06607	5.5
138.09111	0.9
139.08662	0.3
140.07053	0.4
140.08130	0.4
141.06618	0.4
141.10205	1.4
143.01935	0.5
143.08197	0.4
145.04904	0.9
146.86160	0.4
147.04378	0.5
147.11343	0.4
148.06180	2.0
150.05464	0.5
155.08136	3.0
156.07651	1.4
158.09239	1.0
161.09210	0.6
162.03021	0.5
162.07741	0.8
163.03839	3.3
166.07179	0.7
169.09682	1.5
169.10977	0.4
169.13313	0.5
173.09186	1.1
173.98456	0.4
175.11893	2.2
176.12225	0.6
181.03415	0.4
182.03676	0.5
182.96295	0.7
183.11238	0.6
187.10712	4.4
188.09273	0.8
190.10794	0.9
195.11128	0.4
198.98586	0.5
199.98633	0.7
200.10309	0.7
201.12292	0.6
206.10321	7.8
206.12102	0.6
207.13817	0.4
217.99741	0.5
218.15260	0.7
221.17352	0.4
224.11383	100.0
225.11678	3.4
226.11777	0.5
226.15459	1.8
230.11250	1.9
236.16284	0.7
239.18385	0.5
244.12967	0.8
244.16472	0.6
250.07384	0.6
251.07703	1.1
253.13318	0.7
254.15053	0.6
254.17458	1.0
258.14438	1.0
266.12524	0.8
271.14291	0.4
272.18393	0.4
308.06781	1.4
309.06332	0.6
341.14963	0.9
344.08945	0.7
368.19492	0.6
369.20273	1.9
385.71799	0.5
386.16724	47.5
386.22131	8.9
387.08524	0.4
387.17285	2.6
387.21738	0.7
387.27402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
55.36016	0.3
56.05018	1.4
58.06588	0.7
60.04504	0.6
60.05644	0.3
66.16711	0.3
67.05498	1.8
68.05003	0.7
69.03419	0.5
69.07054	2.1
70.06582	13.9
70.18309	0.8
70.18707	0.7
71.06887	0.5
72.08147	2.4
74.06047	0.5
79.05486	2.5
80.04990	0.4
81.07055	1.6
82.06572	1.1
83.08598	0.4
84.04019	0.5
84.04490	6.5
84.08129	3.2
85.02878	0.7
85.06487	0.3
86.06042	1.0
86.09695	2.8
87.04436	0.5
87.10028	0.4
89.47021	0.3
91.05465	2.1
93.07035	2.2
94.06548	3.3
95.04958	0.6
95.08579	1.0
96.08121	2.7
102.05530	3.2
105.07005	1.2
107.07320	3.0
107.08580	1.5
108.08094	4.0
109.08896	0.5
110.06006	0.3
110.07133	1.2
110.09663	1.2
115.08608	0.3
116.07062	1.2
117.07011	0.4
119.08598	1.5
120.08090	2.6
121.08787	0.3
122.09653	3.4
123.10394	0.3
124.11200	0.8
127.08698	0.3
129.10220	1.4
130.04985	2.6
131.04878	0.5
133.10077	0.3
134.09619	0.9
135.04306	0.3
136.06137	0.7
136.07556	1.0
136.11208	0.7
138.09108	0.4
138.99440	0.3
143.08546	0.3
145.10123	0.7
146.02374	0.3
148.06065	2.0
159.11743	0.3
165.73492	0.3
167.06950	0.5
168.74355	0.3
170.11775	0.5
173.09187	1.0
174.12759	0.3
175.11964	0.3
176.14441	0.4
177.05466	0.6
183.14935	0.4
185.13156	0.4
188.07021	0.5
190.15775	0.4
192.13881	0.4
192.17422	0.8
202.15877	1.0
205.12347	0.5
218.15422	0.7
219.18541	1.6
219.97115	0.3
220.16936	26.5
221.17271	1.3
237.19516	3.3
238.17973	32.3
239.18402	1.8
250.03951	0.3
255.20699	0.9
256.19049	23.0
257.19406	1.3
313.76730	0.4
323.23288	0.4
339.22537	1.1
349.21442	0.3
349.80811	0.3
367.22165	4.7
385.23254	100.0
386.23599	8.1
394.37720	0.3
395.19678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
54.13295	0.4
56.05008	0.5
60.04514	0.6
60.05626	1.3
61.01117	0.7
69.03393	0.7
69.07051	0.3
70.06583	17.8
71.04978	0.4
71.67545	0.6
72.08128	1.4
74.06062	0.6
79.95594	0.3
80.04967	0.4
84.04478	1.0
84.08129	2.9
85.02869	0.8
86.09692	4.3
87.10023	0.5
88.02202	46.9
95.06089	0.5
96.02202	0.3
97.02879	4.3
97.07621	0.3
98.51704	0.3
99.04441	1.1
102.05529	0.7
110.07137	4.0
111.00259	0.3
111.07482	0.8
112.08705	1.0
113.07082	0.4
115.08649	0.7
116.07079	1.5
119.01891	0.4
119.03535	0.7
119.73613	0.3
123.05530	4.1
129.10243	1.2
130.04980	0.4
130.09735	0.8
131.01901	0.4
132.10187	0.6
134.02695	65.2
135.03111	0.7
136.06163	100.0
137.04572	1.1
137.06522	1.3
146.05931	2.3
153.01424	0.4
156.07693	1.2
156.11337	0.5
157.10834	0.5
158.09206	0.7
163.03914	1.7
164.07082	1.0
173.02997	0.5
175.11900	3.6
177.10233	0.3
183.14952	2.1
186.05888	0.4
205.09756	0.5
211.14363	0.5
223.10762	0.5
225.67964	0.4
232.06400	1.4
250.07419	10.4
250.09799	0.7
256.19025	0.4
294.93250	0.6
318.93347	0.6
326.12119	1.6
367.24893	0.4
368.23013	0.6
383.33810	0.4
384.70773	0.4
385.08176	0.7
385.13083	3.1
385.25815	11.3
394.95889	0.3
403.18097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16668	0.2
57.36723	0.2
71.11706	0.4
71.12088	0.4
98.97536	0.3
101.00845	0.6
116.98555	0.4
119.01161	0.3
119.01912	5.0
134.99738	0.5
137.02946	2.0
158.99858	0.4
163.27217	0.2
177.00934	13.0
178.01041	1.0
182.99907	0.6
193.04012	0.3
195.01959	0.4
195.33603	0.2
200.02571	0.3
201.00914	0.8
217.04079	3.1
218.04062	0.3
219.01991	23.1
220.02075	2.4
225.00800	3.0
226.00865	0.3
234.99925	0.6
242.03609	0.4
243.01945	5.9
243.04247	0.4
244.02142	0.7
258.99957	0.9
260.00195	0.3
261.03036	100.0
262.03152	9.3
263.03372	0.6
266.03751	0.4
275.04660	0.3
277.01031	1.5
278.01105	0.5
279.00714	0.9
283.00031	2.2
283.99997	0.5
284.04648	2.9
284.99811	0.8
285.04694	0.4
301.01047	3.9
302.01242	1.4
303.00870	1.5
304.01221	0.4
316.66492	0.3
319.02072	0.3
325.01172	0.3
343.02075	1.7
344.02304	0.5
360.99564	0.5
361.03595	0.5
367.02054	2.4
385.03165	15.4
386.03229	1.7
403.04480	20.1
404.04602	2.8
408.04959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01855	5.2
55.05496	2.3
56.05010	3.7
56.83266	1.0
57.03415	1.9
58.06602	1.0
60.04515	2.6
60.05627	3.6
61.02911	2.5
65.03949	1.0
67.05492	2.6
69.03413	2.5
69.07066	1.2
69.65878	3.9
69.66309	2.9
70.06580	97.2
71.01341	0.9
71.04985	1.1
72.08144	13.1
72.93739	1.1
73.02866	1.1
73.06535	0.9
74.06061	3.0
78.44087	0.8
79.05478	6.6
81.07031	1.5
83.01353	1.4
83.06071	1.0
84.04491	9.5
84.08131	17.8
85.02892	10.0
85.08472	1.0
86.06039	1.3
86.09694	12.5
87.05591	1.0
88.02200	34.4
88.02750	1.7
88.03971	2.7
89.03895	1.3
90.05537	1.3
91.05466	7.0
95.01345	1.4
95.04934	5.0
95.06071	1.3
97.02899	4.5
97.07651	1.0
98.06042	3.2
99.04456	1.8
102.05516	2.6
103.05436	5.4
105.07014	51.3
107.04954	2.2
109.02853	1.0
110.07140	11.7
112.08701	9.8
115.03905	2.1
115.05452	12.4
115.08658	2.4
116.07069	5.4
117.06990	2.6
118.04141	3.8
119.03508	1.1
119.04929	1.6
120.08075	4.1
121.06460	1.1
123.04394	6.3
126.05505	1.4
127.03919	2.5
127.08675	1.6
129.10201	8.9
130.04967	2.4
130.08672	1.0
131.04893	5.8
131.08545	1.1
132.05716	1.7
133.06477	52.1
134.02689	55.3
134.06775	1.6
135.04401	1.8
136.06161	80.0
136.07445	2.4
137.06552	3.5
138.09109	1.6
140.04648	2.2
140.08183	2.2
141.10188	1.7
143.03358	1.5
143.04968	1.7
143.06030	3.4
144.05661	1.3
145.02890	1.0
145.04868	1.3
145.06483	6.1
147.04434	5.6
147.08060	1.4
148.06076	2.9
151.03882	3.5
155.07005	4.0
155.08141	2.0
156.07680	1.4
157.04903	1.2
157.06419	1.9
157.10817	3.9
158.09145	2.1
159.04440	1.5
159.07983	1.2
160.05185	1.6
161.05951	100.0
162.06332	2.7
162.07744	7.3
163.03906	5.5
163.08153	6.0
164.04497	1.3
167.06996	27.6
167.11641	1.3
169.04950	1.2
169.09723	2.0
169.13374	1.8
171.11180	1.2
173.05945	3.0
173.09241	1.6
175.03833	2.3
175.06073	2.3
175.07512	2.4
175.11870	5.5
177.05432	2.4
179.07002	1.1
181.04893	2.4
183.06503	3.8
183.14859	2.0
186.03088	1.3
187.10748	3.0
188.05675	2.2
189.05577	3.9
190.06213	3.1
191.06998	2.8
192.05103	3.0
192.07732	2.7
193.05409	3.2
193.08568	70.4
194.09019	2.3
195.11258	3.2
199.10777	1.8
201.05379	2.4
201.12308	1.3
203.06929	2.7
205.08514	5.7
206.06609	1.2
206.09067	1.3
207.06546	8.9
209.13815	1.3
215.06911	2.1
217.04892	2.7
218.05832	1.4
218.15532	1.1
219.06563	5.3
220.07288	2.0
220.16910	4.8
221.08052	3.9
227.06889	1.5
229.04990	2.9
229.15448	4.6
231.06372	6.6
233.04439	6.3
233.08063	5.0
234.06409	1.5
234.08801	1.2
235.06349	3.6
235.09576	2.3
237.13620	1.1
238.17981	7.3
244.16505	1.0
245.08090	2.3
247.05960	2.4
249.07619	3.1
250.07449	7.2
251.09103	23.8
252.07234	13.8
252.09544	1.8
253.07532	29.2
254.07719	1.2
254.16031	3.2
255.14497	2.9
256.19067	4.6
259.05954	1.7
260.06915	1.1
261.07547	11.0
262.07932	1.2
263.09152	3.4
270.14352	1.3
272.17038	1.9
273.07455	2.1
275.09094	6.4
277.07004	3.0
279.08484	2.8
285.70197	2.8
287.09183	2.0
288.20135	1.1
289.07092	2.4
293.10168	3.6
303.08539	1.6
305.10147	2.7
307.07993	8.6
319.08060	2.1
340.65042	1.2
367.09940	3.4
367.24512	1.4
368.22757	1.6
369.19974	3.7
376.76016	0.9
385.02051	1.7
385.11707	16.7
385.26038	39.3
385.72427	1.3
386.22745	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	384.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63280	0.3
55.05506	1.5
56.05013	0.9
57.03448	0.3
58.03442	0.3
58.06579	0.9
60.04484	0.3
67.05486	1.3
69.07053	2.2
69.88379	0.6
69.88783	1.7
70.06208	0.6
70.06580	9.5
72.08135	1.1
73.55286	0.3
74.06049	0.4
79.05476	1.6
80.04999	0.5
81.07047	1.4
82.06556	0.7
82.76363	0.3
83.06061	1.0
84.03983	0.6
84.04488	11.7
84.08118	1.8
85.02888	0.5
86.06046	1.4
86.09708	1.4
91.05453	2.9
92.05801	0.5
93.05786	0.3
93.07017	1.2
94.06556	2.6
95.08572	1.1
97.02876	0.4
101.07127	2.5
102.05511	1.2
105.07001	1.0
107.07343	2.0
107.08561	0.7
108.08102	2.8
108.29830	0.3
109.08862	0.6
110.07156	2.3
110.09645	1.3
112.07586	0.4
119.08566	0.5
120.08077	2.9
121.10111	0.6
122.09663	2.8
123.10431	0.5
124.07599	0.3
124.11200	0.5
127.08701	0.5
129.06593	1.2
129.10236	0.8
130.04977	11.4
134.09537	0.4
135.11679	0.4
136.07565	0.5
145.10074	0.9
147.04285	0.4
147.07608	4.6
148.11238	0.3
155.08035	0.6
166.07216	1.2
174.96904	0.4
185.13301	0.3
191.11778	0.4
192.13820	0.4
192.17476	1.0
196.97275	0.3
202.15887	1.0
208.00563	0.4
218.15361	0.5
219.18495	3.2
220.16920	22.6
221.15271	0.5
221.17264	0.8
223.98140	0.7
234.98959	0.7
237.19559	7.4
237.21835	0.6
238.17972	30.4
239.18396	1.2
239.21068	0.3
239.97835	0.6
240.98535	0.4
249.39848	0.3
255.20697	1.0
256.19034	16.7
257.19406	0.8
279.24368	0.5
281.98795	0.3
321.21783	0.7
323.23212	0.5
338.24133	0.5
339.22772	3.0
349.21072	0.8
366.23941	3.3
367.22144	6.3
384.02106	1.7
384.24854	100.0
385.25244	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	384.1143
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
52.65270	0.2
55.01850	1.1
56.05011	0.6
56.43658	0.3
57.03430	2.1
60.04494	0.7
60.05658	0.3
61.02912	0.5
69.03404	1.3
70.02918	0.3
70.06580	4.8
70.66946	0.8
71.01326	0.8
72.08143	1.3
72.93764	0.3
73.02879	1.1
74.06051	0.3
75.05579	0.3
83.06099	0.5
84.04506	2.3
84.08119	3.2
85.02899	2.0
86.09680	1.4
87.04438	0.3
87.05564	0.4
88.02205	1.4
88.03992	0.4
91.05466	1.2
93.04532	0.3
94.04025	0.3
97.02847	0.8
98.06026	0.4
99.00793	0.4
99.73913	0.2
102.05501	0.6
104.07081	0.4
105.07005	0.8
106.58112	0.2
110.07146	4.0
112.08706	0.5
115.03917	0.7
118.59386	0.2
119.03550	0.9
119.04909	0.5
119.91430	0.3
120.08070	0.8
121.05070	1.1
123.04400	0.4
127.03955	0.4
129.10231	1.6
130.04982	0.5
130.08633	0.4
133.06470	0.6
134.02684	2.1
135.06645	1.0
136.06157	22.0
136.07442	0.7
137.04558	0.9
145.02921	0.2
147.04330	1.6
147.07643	0.3
148.06152	6.7
151.03882	0.3
155.05591	0.3
156.07681	0.5
160.06114	0.7
161.05968	1.1
162.07721	33.8
163.03865	1.1
163.08063	0.6
164.05745	0.4
164.11795	0.6
166.07246	0.5
167.06987	0.7
179.03400	0.3
181.09515	0.4
188.05638	14.0
188.38335	0.3
189.05946	0.3
192.05124	18.0
193.05458	0.5
193.08545	0.9
206.06705	7.8
209.13878	0.6
216.05136	0.7
220.17014	0.5
222.04094	0.3
222.07460	0.3
234.06181	11.0
234.08546	0.5
234.99005	0.7
235.06430	0.5
237.13281	0.6
238.17880	0.6
250.07535	0.5
251.09039	0.3
252.07228	100.0
253.07581	3.0
266.96130	0.3
268.16672	0.3
353.64844	0.4
356.23700	0.4
362.65384	0.3
384.01590	0.9
384.11438	31.2
384.24619	1.8
385.02350	0.4
385.11823	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03926	6.3
55.05500	17.9
56.96548	5.7
57.03423	5.2
57.07057	18.3
58.79159	5.2
59.04996	6.9
65.03941	4.9
65.93442	4.7
67.05486	31.4
69.03425	17.2
69.07057	9.0
69.81144	42.3
70.06599	6.7
70.98081	5.3
71.04974	5.2
79.05493	31.0
79.76653	4.9
81.07052	49.1
81.35351	5.8
83.04979	5.5
85.06560	9.3
91.05466	42.3
93.07035	100.0
95.04951	35.9
95.08595	41.0
97.06534	12.3
98.20760	10.8
105.07015	82.7
107.08575	51.4
109.06489	26.1
109.10153	27.9
110.54004	4.9
117.06988	8.9
119.08575	55.7
119.83293	5.2
121.06494	15.8
121.10129	55.9
123.08051	27.0
129.07030	7.9
131.08517	26.2
133.06493	7.5
133.10141	30.0
135.08026	23.3
135.11655	11.2
137.09573	6.3
142.07771	19.3
143.08548	21.8
144.09306	8.5
145.10109	33.6
147.08034	20.8
147.11671	16.3
148.08800	10.9
149.09604	25.1
151.07539	56.9
156.09366	11.4
157.10109	36.0
159.11671	16.0
161.09622	22.2
161.13217	11.3
165.09138	41.1
170.10963	7.7
171.11679	12.9
173.09523	14.1
173.13300	8.8
175.11179	20.1
175.14824	10.6
177.09047	8.6
179.08420	5.4
183.11726	7.9
185.13210	20.7
187.11066	8.1
187.15047	6.0
189.12746	9.3
191.14247	7.0
197.13315	6.1
199.11049	5.1
203.14334	26.3
207.13776	9.2
209.13403	7.3
209.15355	6.6
213.12590	8.0
219.13655	6.6
221.15317	91.9
227.14226	5.9
234.16153	18.1
287.19864	7.3
299.20099	6.5
365.24637	19.7
383.11606	7.4
383.25528	97.7
384.26358	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22403	0.5
53.03937	0.5
55.01858	4.5
55.05504	4.0
57.03437	3.0
57.03651	0.5
57.07070	0.6
67.05498	7.0
69.07064	6.0
70.06574	2.0
71.04971	0.8
71.75188	0.7
79.05492	5.9
81.07046	27.1
83.04976	3.1
83.08599	1.9
84.08096	1.1
84.52891	0.5
86.09716	0.6
89.12254	0.6
91.05460	4.1
93.07034	6.1
93.64259	0.6
95.04914	0.9
95.08590	6.6
97.06506	1.1
105.07011	4.2
107.08587	5.3
109.06500	10.9
109.10143	4.0
110.07143	0.7
111.04424	16.6
111.08039	1.3
112.04780	0.6
113.06000	0.6
117.06969	1.0
119.08575	5.3
121.06476	0.7
121.10116	6.2
121.41955	0.6
123.08057	2.5
123.11682	1.9
125.05985	6.8
125.09605	0.8
129.06970	0.7
131.08546	2.3
133.10117	5.0
135.08032	3.0
135.11661	4.8
136.75662	0.6
137.05959	100.0
137.13219	1.8
137.37408	0.6
138.06319	1.9
139.07503	0.7
143.08554	1.3
145.10098	2.1
147.08015	2.0
147.11671	7.6
149.09552	4.0
149.13240	1.5
151.07542	3.2
151.11198	1.2
152.48578	0.5
157.10112	2.5
159.11688	1.4
161.09608	7.6
161.13243	2.7
163.11195	3.8
163.14771	0.9
165.09117	2.8
165.12675	0.9
167.10660	1.2
171.11676	1.1
175.11148	6.4
175.14696	0.9
177.09108	0.5
177.12866	0.9
179.10649	2.1
185.13263	0.8
187.14841	0.8
189.12712	1.0
193.12239	1.7
203.17917	6.9
213.16338	2.5
221.18988	2.2
223.14851	0.7
231.17406	7.9
238.17773	0.7
241.15846	1.2
249.18449	10.3
277.17950	69.5
278.18240	3.4
295.19006	31.6
296.19272	1.9
351.21603	5.6
382.77139	0.7
383.24188	15.3
383.29102	1.3
384.24637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.44702	2.7
50.70406	2.9
53.03915	3.4
55.01846	3.6
55.05503	24.9
57.07039	13.6
59.04964	9.4
60.54429	3.1
61.67175	2.9
61.96724	3.1
67.05495	28.4
69.03411	17.8
69.07061	16.8
69.97515	6.0
69.97919	16.7
70.06575	4.5
71.04962	6.7
71.08586	9.9
79.05486	39.5
80.82432	3.1
81.07050	49.7
83.04941	12.4
83.08603	15.3
85.06512	9.7
91.05470	48.4
93.07029	98.4
95.04962	36.9
95.08032	4.2
95.08595	52.4
97.06005	2.4
97.06504	22.8
99.08029	3.7
103.05441	3.5
105.07017	88.5
107.08578	59.1
109.06509	25.7
109.10143	29.6
111.08084	19.7
115.05386	4.1
117.07008	21.3
119.07778	4.7
119.08564	67.8
121.06499	15.5
121.10123	50.5
122.38013	2.9
123.08051	33.3
123.11636	5.3
125.09554	4.1
128.06154	9.5
129.07014	15.4
130.07770	7.0
131.08559	40.6
133.06442	8.8
133.09206	4.7
133.10101	44.8
135.08051	31.1
135.11646	10.1
137.09563	9.5
137.13145	3.1
139.11139	4.3
141.06918	5.2
142.07790	20.7
143.08553	29.7
144.09216	9.2
145.10100	55.2
147.08020	28.4
147.11667	20.6
148.08710	4.0
149.09596	28.1
149.13167	6.3
151.07504	48.2
155.08488	8.3
155.10579	4.4
156.09293	10.1
157.10114	41.8
159.07985	11.2
159.11670	24.3
160.08827	4.0
161.09564	19.6
161.13176	9.7
163.11098	9.0
165.07018	4.4
165.09082	29.0
167.08476	4.7
167.14223	3.9
169.10101	9.1
170.10902	4.6
171.11607	10.7
173.09592	8.9
173.13229	14.2
175.11128	20.7
175.14706	7.9
177.09065	9.7
177.12711	3.2
178.09689	3.1
179.08545	4.9
179.10622	4.5
179.14255	3.2
181.10014	4.3
181.12225	5.5
183.11551	8.7
185.13202	20.2
187.11121	5.0
187.14734	8.2
189.12672	9.4
191.10620	6.0
191.14264	5.3
195.11539	6.5
197.13156	13.2
199.11089	5.4
199.14763	3.5
201.12633	8.8
203.14297	29.9
207.11914	3.9
207.13739	13.2
209.13176	8.4
209.15291	6.7
211.14742	4.2
213.12553	6.1
215.14400	16.3
219.13728	5.9
221.15327	71.3
223.14632	5.5
227.14165	13.7
227.17767	3.7
229.12244	3.2
229.15733	4.6
231.15742	4.5
233.15195	9.8
234.16107	14.7
237.14630	4.9
243.13759	4.7
263.17896	3.7
267.79971	3.2
271.16779	4.7
281.19046	4.8
283.20511	3.9
286.19287	4.4
287.19977	12.0
303.19452	9.9
327.19525	3.8
365.24597	20.3
365.28610	5.5
382.77127	4.3
383.25552	100.0
383.36844	3.9
384.25842	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79421	1.1
55.01849	2.2
55.05495	7.0
57.07075	1.9
58.06552	1.5
67.05489	6.4
69.03426	6.3
69.07068	4.5
70.06579	23.8
71.04972	7.5
71.75515	2.1
72.08138	4.5
79.05483	6.7
81.03416	1.5
81.07053	8.1
82.06608	1.3
83.04977	2.2
83.08598	1.7
84.04489	3.1
84.08140	7.0
85.02869	1.3
86.09688	10.2
91.05466	14.5
91.46751	1.3
93.07027	16.7
94.06535	1.8
95.01311	2.8
95.04950	5.3
95.08589	10.1
96.08106	2.2
97.10151	2.1
98.06062	1.7
99.04434	15.3
100.11243	3.6
103.05453	2.2
105.07014	100.0
106.07316	2.7
107.04936	3.0
107.08564	8.4
108.08106	3.1
109.06490	3.9
109.10173	3.0
110.07137	4.5
117.07042	2.9
119.04919	4.8
119.08552	8.3
120.08095	4.7
121.06528	3.5
121.10135	3.3
122.09641	2.1
123.08064	9.1
123.11658	3.3
127.39935	1.3
128.06195	3.9
129.10208	3.6
130.07808	1.6
131.04944	1.6
131.08553	4.0
133.06471	9.7
133.10115	70.6
134.10416	1.9
135.08052	3.0
135.11647	3.4
136.07567	1.9
137.05962	2.9
141.01762	2.8
143.08546	6.2
145.06538	1.5
145.10085	8.5
146.07233	3.2
147.08006	1.7
149.09656	1.7
151.07510	3.8
151.11186	3.2
156.13870	3.0
157.10155	1.8
159.11710	2.0
161.09598	67.0
162.09938	1.9
163.11163	51.9
179.10648	48.9
180.10965	1.8
182.15356	3.1
183.20163	1.5
184.13268	2.7
185.13344	1.8
189.09070	33.3
193.04874	2.2
194.05302	4.2
207.10188	8.0
215.70609	1.4
220.16930	5.4
222.18509	2.1
238.17975	10.3
240.19597	10.4
241.19749	2.1
250.08014	1.3
256.19119	1.6
285.26181	1.4
309.21658	1.6
328.68753	1.4
337.12778	3.3
365.12372	4.1
382.71527	1.7
383.25995	1.9
383.30664	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	383.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.00040	0.7
55.01873	1.2
55.05503	4.9
56.05013	1.0
57.03420	2.0
59.04991	0.9
60.04509	0.8
61.42707	0.6
67.05499	5.6
67.05820	0.9
68.05028	0.8
69.03410	5.9
69.07066	3.8
70.06205	1.0
70.06577	16.6
70.62656	0.7
70.72043	2.4
71.04991	5.1
72.08138	3.5
79.05471	5.8
81.03409	0.9
81.07042	7.9
82.06530	0.8
83.04959	0.7
83.08595	1.1
83.73832	0.7
84.04494	1.5
84.08123	3.6
85.02890	2.5
86.09695	7.0
89.06019	1.9
91.05466	15.4
91.35771	0.7
92.05817	0.6
93.07019	8.7
94.06527	1.1
95.01318	4.0
95.04946	2.8
95.08582	6.4
96.08102	1.3
97.02868	1.5
97.06515	0.9
99.03830	1.3
99.04436	11.3
103.05448	1.9
105.03384	5.0
105.07008	71.9
106.07318	1.7
107.04939	2.3
107.08575	3.8
108.08096	2.2
109.06474	2.9
109.10118	2.6
110.07116	2.2
110.09644	1.4
113.02345	1.1
115.05450	1.3
117.05266	0.6
117.06995	2.0
119.04912	2.0
119.08559	11.8
120.08077	2.7
121.06490	3.5
121.10139	2.5
122.02642	0.8
122.09650	1.5
123.08028	3.9
123.11639	1.8
128.06186	3.3
129.06984	0.7
129.10225	2.0
131.08533	4.8
133.06474	15.8
133.10103	95.0
134.05974	0.8
134.10429	2.7
135.08012	1.3
135.11668	1.0
137.05959	1.0
141.01811	4.6
143.08531	9.2
145.06422	0.8
145.10139	3.5
146.07222	4.0
147.08038	3.8
147.11607	1.3
151.07512	3.0
151.11143	1.1
155.08411	0.9
159.11623	0.8
161.09587	100.0
162.09955	3.8
163.03790	0.8
163.11151	18.0
165.09081	2.0
170.05891	0.8
171.08008	6.0
171.11603	1.0
176.07004	1.3
177.03885	1.3
179.10646	16.0
187.11089	1.0
189.09081	32.3
190.09427	1.6
191.10623	0.8
205.14096	0.9
207.10152	12.8
220.16876	3.3
222.18469	3.8
236.16443	1.1
238.18066	5.7
239.18488	1.1
240.19554	11.3
241.19826	1.8
253.10010	2.1
257.06546	1.2
296.54388	0.8
319.11856	1.1
333.23593	2.4
337.12744	36.9
338.13040	2.7
338.56979	1.0
339.23856	3.6
347.11081	2.9
365.12201	53.6
366.12473	2.9
376.44971	0.7
382.72614	3.7
382.77344	1.7
383.13336	0.9
383.22009	1.4
383.75217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
55.05511	0.4
56.05023	2.0
57.03426	0.9
58.99578	0.3
60.04512	4.2
60.05640	0.3
64.09169	0.3
65.21619	0.3
66.94222	0.2
67.05488	0.6
68.05025	0.8
69.03415	0.9
69.07047	1.7
69.72139	2.3
70.02948	0.5
70.06580	14.3
71.04978	0.6
71.06915	0.6
72.08147	3.0
74.06063	1.0
76.03989	0.3
81.04550	0.6
81.07048	0.7
82.05314	0.6
82.06592	0.4
83.06088	6.6
84.04486	2.4
84.08132	7.1
85.02881	2.0
85.06532	0.4
85.08450	0.5
86.00636	0.6
86.06040	1.7
86.09689	19.8
87.00848	0.3
87.05572	1.6
87.10010	0.9
88.03966	0.9
91.05471	0.9
92.05782	0.2
93.04515	5.3
93.07016	0.6
95.04983	0.6
95.06068	5.0
95.08604	0.6
96.04468	0.3
97.02864	0.8
97.06474	0.3
98.06054	0.6
99.04466	0.3
99.08083	2.8
100.02187	1.9
101.07115	0.4
102.05509	1.2
103.05442	0.6
104.05319	0.5
105.01816	0.3
106.04997	0.6
107.04966	0.4
107.22011	0.2
109.02850	0.4
109.06463	0.4
109.10155	0.3
110.07145	100.0
111.06824	0.6
111.07497	1.6
112.08722	0.9
115.08697	0.5
116.07086	0.8
117.09100	1.2
119.04935	0.4
120.08087	7.1
121.03970	0.5
121.08424	0.4
122.07169	0.5
123.05529	0.4
127.03889	0.7
127.07550	0.3
127.08620	0.7
128.10674	0.5
129.10226	3.2
130.04961	0.4
130.08623	0.5
130.10617	0.3
131.57195	0.2
132.01117	0.3
132.10165	0.4
136.07561	3.2
137.05954	0.3
137.07874	0.4
138.06595	4.8
141.10252	0.3
143.11734	0.3
145.02873	0.4
146.02634	1.3
147.07707	0.3
152.06989	0.3
155.08136	0.5
156.04761	0.8
156.07649	5.4
159.07738	0.5
163.03862	0.5
165.05542	0.4
166.06119	0.8
166.08591	1.3
169.13235	0.3
171.07571	0.3
171.11362	0.4
173.09238	0.4
173.12799	3.1
177.05426	0.7
178.13362	20.2
179.13634	0.4
182.08093	1.0
183.14828	0.3
185.11710	0.7
196.09744	0.3
199.18045	0.4
201.12326	1.7
202.05273	0.8
206.12851	2.1
213.12357	0.4
220.06337	3.5
223.15504	26.7
224.15742	0.8
227.40871	0.3
235.11839	0.4
240.13356	0.4
245.18568	2.1
251.14987	29.4
252.15359	1.2
256.97382	0.3
269.15994	1.6
270.14407	0.4
285.16092	0.4
285.66165	0.4
346.22174	1.1
363.04034	0.3
364.23083	0.8
372.33893	0.3
382.24310	18.5
382.28033	1.5
383.24496	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	382.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05498	2.6
56.05026	6.6
57.03428	4.1
58.06563	0.5
58.99589	0.6
60.04513	14.3
60.05645	0.7
61.01134	1.3
61.02915	1.3
67.05491	1.2
68.05013	1.3
69.03422	2.8
69.04527	0.4
69.07060	3.0
70.02931	1.7
70.06584	48.6
71.04971	1.6
71.06908	1.8
71.64809	0.6
72.04498	0.6
72.08150	10.5
72.87019	0.4
73.02892	0.6
73.08470	0.5
74.00636	0.4
74.06068	9.9
76.03993	0.6
79.05477	1.3
80.05020	0.4
81.03410	1.4
81.04548	1.2
81.07048	1.7
82.05318	0.8
82.06573	0.9
83.06092	7.6
83.08585	0.5
84.04490	8.1
84.08132	19.5
85.02895	6.6
85.04020	0.7
85.06539	0.6
85.08479	1.2
86.00647	1.3
86.06062	1.6
86.09694	62.2
86.99049	0.5
87.00810	1.0
87.05573	9.7
87.10027	1.8
88.03973	2.2
89.03883	0.6
89.06030	0.6
90.05519	0.5
91.05470	3.3
91.47781	0.5
93.04516	5.9
93.07045	1.0
95.04964	1.1
95.06075	4.3
95.08624	0.7
96.05325	0.4
96.08121	0.5
97.02875	2.8
97.06474	0.5
98.06022	1.2
99.04440	0.8
99.08082	1.8
100.02187	4.8
101.07174	0.9
101.10739	0.5
102.05543	2.2
103.05444	1.5
104.05327	1.4
105.00096	0.8
105.01830	2.5
106.04982	0.7
107.08595	0.8
109.02879	1.9
109.06508	0.9
109.10130	0.5
110.07150	100.0
111.07484	1.0
111.08120	0.5
112.04024	0.5
112.08706	2.0
113.03496	0.5
113.07134	0.5
114.05524	0.5
115.08669	1.6
116.07085	1.7
117.03381	0.8
117.09127	3.9
119.04944	2.2
120.08089	14.1
121.03984	0.5
121.08420	1.2
121.10121	0.8
122.06010	0.4
122.07181	0.7
123.04408	2.9
123.08040	0.6
125.07127	0.5
126.05539	0.8
126.09141	0.6
127.03912	3.6
127.08659	2.2
128.05276	1.0
128.10693	3.8
129.06555	2.5
129.10226	10.1
129.11133	0.9
130.04988	1.2
130.06548	1.0
130.08612	2.0
131.08536	0.5
132.01106	1.7
132.06572	0.6
132.10229	0.7
133.10138	0.5
133.97307	0.4
135.04417	0.5
135.08089	0.6
136.07561	14.6
138.06601	4.3
139.11125	0.9
140.08154	0.8
141.10207	1.1
143.11809	1.4
144.07985	0.7
145.02840	2.3
145.04965	1.4
146.02679	3.6
147.04388	1.6
147.07816	0.7
147.11293	2.3
148.06032	0.7
149.09598	0.8
150.05653	0.5
153.06680	0.5
155.08188	1.7
155.11696	0.7
156.04849	2.7
156.07681	10.2
157.06152	0.5
162.05508	0.5
162.09175	0.5
163.03906	1.1
165.05437	4.2
166.06065	1.5
166.08556	0.7
167.10660	0.9
169.09769	0.6
169.13342	0.6
170.09341	0.6
171.07710	0.7
172.07382	0.8
173.12839	49.0
174.05710	0.8
174.13214	1.2
175.08665	0.5
175.11784	0.5
177.05457	4.4
178.13371	14.5
181.06114	0.6
182.08095	9.1
183.14864	0.5
185.11671	1.1
186.12463	1.3
190.05345	0.4
198.08835	0.6
199.07138	0.6
199.18082	0.6
201.12317	18.0
202.05296	3.4
202.12469	0.7
203.12375	0.4
204.13463	1.6
205.11688	0.6
206.12903	1.3
207.07632	2.7
207.11223	2.6
213.12274	0.5
216.09734	2.0
219.14937	0.6
220.06367	16.9
223.15509	20.1
225.12749	0.4
229.15436	2.0
231.05066	0.7
231.11630	0.5
234.12416	1.3
235.12146	0.5
240.13556	0.7
241.13104	0.9
244.12979	0.6
245.18625	2.7
251.14999	28.8
252.15266	0.5
269.16037	2.4
277.03055	0.4
295.16498	1.2
301.18637	6.3
302.18887	0.8
320.19757	0.4
323.12466	1.3
346.22296	1.4
364.23438	1.1
366.12857	4.5
382.20041	1.1
382.24445	22.1
382.71466	0.5
383.24524	0.6
400.25439	0.5
401.24756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01861	1.6
55.05502	2.1
56.05027	5.5
57.03420	1.7
60.04517	16.7
60.05645	0.9
61.01138	2.2
61.02913	0.7
67.05490	1.4
68.05013	0.6
69.03423	6.0
69.07054	2.7
69.62411	0.5
70.02949	2.7
70.06580	42.2
70.93706	1.8
71.04980	7.8
71.06911	1.3
72.08143	13.1
72.14529	0.5
73.02901	1.7
74.02456	0.6
74.06073	2.1
79.05493	1.0
81.03407	4.4
81.04532	0.8
81.07039	1.3
82.06576	0.8
83.06086	3.7
84.04493	8.2
84.08131	17.1
85.02892	14.3
85.08463	0.8
85.82692	0.5
86.02246	0.5
86.06045	0.9
86.09692	32.7
87.00808	5.4
87.04474	0.7
87.05579	16.3
87.10017	2.0
88.03975	2.7
91.05462	9.6
93.04511	1.8
93.07031	1.9
94.06546	0.8
95.04950	1.2
95.06078	3.6
95.08573	0.8
96.08146	0.9
97.02867	5.3
97.06519	2.0
98.09639	0.6
99.04436	2.2
99.08076	7.5
101.07111	0.9
102.05536	1.7
103.05436	1.7
104.05312	2.5
105.01841	7.7
105.07030	0.9
106.04985	1.7
106.06481	0.6
107.04932	1.6
107.08586	1.4
109.02869	4.3
109.06484	1.3
110.07148	46.6
112.08720	1.7
115.08703	1.6
116.07085	2.5
117.01852	0.6
117.09112	19.1
118.06518	0.9
118.09410	0.7
119.04918	9.3
119.08546	1.4
120.08080	20.3
121.06479	4.0
121.08395	2.0
121.10130	0.7
122.07074	0.7
123.08020	0.9
123.11684	0.7
124.07520	0.6
125.09585	1.0
127.03896	11.2
127.07539	2.8
127.08656	4.8
129.06609	0.7
129.10229	11.8
130.04974	1.7
130.06517	0.8
130.08630	1.6
131.04919	0.8
131.08151	1.0
132.08031	1.0
132.10161	4.9
133.06439	1.3
134.05957	1.2
135.04376	0.8
135.06784	6.2
136.07556	86.1
137.05910	0.9
137.07899	2.2
138.06587	2.2
139.11134	1.4
141.10153	1.1
143.11731	1.0
145.04922	4.6
145.06029	1.2
147.04396	0.8
147.11299	1.2
148.06049	0.7
148.07518	0.9
149.05972	1.2
151.07579	0.7
153.10208	0.5
155.08130	3.1
156.07687	4.9
159.02863	1.7
160.07552	17.0
161.07954	0.9
162.05460	1.9
162.09068	1.1
164.11812	7.4
164.96188	0.6
165.09166	0.8
166.06010	0.8
166.08626	0.9
167.10646	1.0
169.13348	0.9
171.07747	0.6
172.11363	0.7
173.12920	0.7
176.06956	1.1
177.05399	0.9
178.08609	18.9
178.13351	1.8
179.08908	0.7
181.06366	0.6
183.14893	1.1
185.11664	6.0
188.06979	0.7
193.09584	0.7
195.11403	0.8
199.07138	0.7
199.10767	0.8
205.09703	0.9
207.07600	2.5
207.11401	0.8
208.06049	0.5
209.13924	8.1
213.03935	1.0
217.13429	0.6
219.13321	1.1
220.16916	0.6
223.10735	100.0
224.11130	3.1
226.11694	0.7
229.15405	0.6
231.04945	2.7
234.16832	0.7
236.99956	1.3
237.13409	11.7
238.13626	0.7
238.17979	0.9
245.18590	1.1
251.10248	27.5
251.14673	4.5
252.10519	1.2
268.16498	2.2
269.16006	0.7
283.14511	3.5
295.16483	3.4
301.18277	0.6
311.13934	1.5
323.12262	1.9
345.99899	0.6
354.24149	0.7
366.12744	5.3
382.13425	0.8
382.24594	7.0
383.12799	0.8
394.73718	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	382.1704
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
56.05018	1.2
57.07053	1.9
57.76191	0.6
58.99568	0.6
59.04985	1.7
60.04503	2.1
61.02909	0.7
67.05487	1.3
69.03416	1.1
69.07043	2.2
69.49020	0.5
70.02947	3.3
70.06240	0.7
70.06582	6.2
70.24381	2.6
70.61064	0.6
72.04507	6.1
72.08135	1.8
73.02892	1.9
74.02410	1.2
74.06057	2.3
83.06105	0.8
84.04482	2.2
84.08141	3.1
85.02883	3.6
85.06537	4.4
86.09698	9.1
87.00262	0.5
87.04407	0.7
87.05584	1.1
87.08095	1.1
88.07616	1.4
90.05545	52.9
91.05457	0.8
95.04965	2.7
95.06052	0.9
96.08113	0.8
97.02880	1.2
98.02388	5.9
98.20889	0.9
99.04459	0.6
100.03984	0.7
101.07118	0.7
102.05496	0.8
103.07573	3.1
104.05270	0.8
104.07062	0.8
106.31326	0.5
110.07145	9.5
113.05982	1.8
116.03438	7.4
119.04964	0.9
120.08099	5.7
121.08418	0.7
124.07580	8.0
129.10210	1.2
130.04979	0.7
131.07013	1.0
136.07574	4.8
142.08640	3.1
144.08090	1.2
148.06044	0.9
156.07666	9.3
156.10268	0.6
160.09654	1.1
162.09122	1.1
166.08626	1.8
173.12860	0.7
174.11198	0.8
184.09671	10.3
202.10722	18.7
207.11256	5.1
220.11777	100.0
221.12421	1.9
235.10762	1.3
249.16005	1.9
253.75357	0.6
269.16101	1.2
296.18439	0.6
310.19733	0.6
325.54956	0.7
382.20541	1.0
382.24591	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	381.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05506	16.2
57.03430	3.1
57.07055	4.2
65.03925	2.4
67.05495	85.4
69.07059	13.8
70.06567	2.8
71.04306	3.2
71.04972	2.4
71.08588	1.7
72.08154	1.2
75.04477	1.9
79.05042	2.2
79.05487	37.6
81.07049	94.4
82.07392	1.3
83.04998	1.3
83.08605	11.3
84.08132	2.0
85.06529	1.9
91.05466	18.8
93.07037	53.4
95.04956	3.1
95.08596	84.0
97.06523	3.5
97.10153	4.4
99.08064	1.8
105.07021	16.8
107.08580	32.7
107.25150	1.1
109.10139	44.8
111.11736	1.9
113.09637	1.1
117.07036	5.8
119.08563	13.8
121.10130	35.1
123.11694	21.6
125.09631	1.7
131.08560	16.2
133.10121	14.1
135.11667	30.0
137.13240	9.0
145.10118	14.1
147.11656	8.3
149.09659	1.8
149.13235	15.7
151.11220	1.8
151.14809	3.4
157.10103	1.4
159.11681	11.1
161.13283	3.7
163.14824	7.5
165.12677	1.3
173.13199	10.4
175.14828	5.1
177.16377	5.0
181.29211	1.2
187.14810	8.5
189.16399	4.1
191.17953	3.4
193.15927	1.2
201.16350	3.5
203.17952	1.5
207.17540	2.3
215.17914	2.2
219.17273	1.5
220.17087	1.8
233.19008	2.0
238.17992	1.3
240.19574	3.2
247.20529	1.5
261.25772	4.9
268.29694	1.5
271.24133	14.2
289.25235	100.0
290.25491	2.3
307.26303	3.6
327.16513	1.1
345.27948	2.4
363.28818	11.8
380.57217	3.8
381.24814	1.5
381.29984	34.4
381.58054	1.4
390.89816	1.3
404.11362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.0
57.07061	9.0
62.45033	2.9
66.58369	3.0
67.05497	14.5
69.07058	24.4
69.74361	3.8
69.74769	18.6
71.08629	21.5
79.05489	9.0
81.07051	28.2
83.04942	5.4
83.08604	8.3
85.06534	4.7
89.06023	6.2
91.05470	10.7
93.07046	19.0
95.04968	4.3
95.08603	28.6
97.06519	6.3
97.10135	5.0
99.08088	19.1
105.07033	9.2
107.08585	22.8
107.53085	2.7
109.06506	10.6
109.10152	16.4
111.08078	5.8
119.08566	12.8
121.10121	14.1
123.08059	37.4
123.11677	7.3
125.05976	4.0
131.08600	4.4
133.10132	9.0
135.08089	7.1
135.11684	8.9
137.09546	5.3
137.13225	7.1
145.10072	4.9
147.11694	7.4
149.09546	4.8
149.13269	5.7
151.14749	3.5
153.12733	8.9
155.10588	3.2
159.11664	4.8
159.57890	2.6
165.12836	3.0
168.79547	2.5
179.14302	44.7
189.16327	5.0
191.14351	5.2
195.12196	4.7
196.12546	3.0
233.19000	5.0
251.20033	18.0
293.21124	12.4
293.28433	7.5
303.26865	16.1
321.27811	3.2
331.26242	80.7
332.26572	3.0
349.27322	100.0
363.28897	71.8
381.29962	11.2
381.35501	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	381.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.2
55.05498	12.7
57.03419	2.3
57.07049	3.9
65.03900	1.9
67.05495	71.2
69.07058	12.5
70.06565	1.1
71.01283	0.8
71.04958	1.5
71.08602	1.5
79.05479	29.3
81.07042	78.5
83.08610	7.5
84.08124	1.0
85.06526	1.1
87.74110	1.0
91.05460	14.3
93.07027	40.2
94.06548	4.4
94.07355	1.6
95.04945	3.0
95.08589	60.9
96.08910	1.6
97.06535	2.0
97.10142	3.1
99.08026	1.1
100.07602	1.2
105.06997	12.9
107.08569	28.4
109.06461	1.3
109.10136	38.6
111.08036	1.5
111.11662	1.1
112.07603	0.9
117.07000	6.5
117.35323	0.9
119.08560	11.8
121.10128	24.6
123.08070	1.4
123.11683	18.2
125.09675	0.9
129.06868	1.1
131.08554	12.8
133.10124	10.1
135.10696	1.7
135.11668	19.7
136.11124	1.0
137.13213	9.3
145.10094	9.1
147.11682	6.1
149.13222	15.2
151.11086	1.6
151.14777	2.6
159.11644	9.1
161.13217	4.0
163.14780	5.8
164.71846	0.9
165.16353	1.7
171.19427	1.0
173.13211	10.0
175.14751	2.7
177.12737	0.9
177.16380	3.4
178.43320	0.9
187.14775	4.5
189.16397	2.7
191.17932	3.6
197.51128	0.9
201.16368	2.9
205.15799	1.7
213.10216	1.3
215.17990	1.5
219.17400	1.1
238.18030	1.7
250.08145	0.9
255.14899	1.2
261.25793	4.6
271.24164	8.0
289.25204	100.0
290.25467	4.8
297.19501	1.7
307.26355	2.5
310.17596	1.0
324.84698	1.1
339.24310	2.1
363.21811	1.0
363.28842	11.3
364.31491	1.3
368.49182	1.1
381.29874	36.0
382.30371	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95244	1.4
66.89964	1.4
71.74613	1.5
94.92999	24.4
112.89596	2.6
202.89059	5.1
206.88606	5.1
208.97224	46.2
209.97650	1.8
210.97041	12.9
212.85164	2.8
226.86726	2.0
248.89638	39.8
273.27753	1.6
282.90500	1.8
320.64407	1.7
358.61920	1.7
381.07895	100.0
382.08221	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	380.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05507	2.3
56.05029	2.5
57.03397	0.5
57.05799	0.8
60.04515	5.3
61.01145	0.6
67.05505	1.1
68.05030	0.6
69.03407	1.4
69.07063	8.4
69.87103	2.1
69.87521	1.1
70.02932	0.9
70.06583	33.8
71.04980	0.5
71.06918	1.6
72.08147	11.2
74.02406	0.5
74.06067	3.3
76.04008	0.4
79.05485	0.8
81.03394	0.7
81.07058	0.9
82.06567	1.0
83.04951	0.6
83.06102	1.1
84.04492	6.9
84.08131	10.5
85.02893	1.6
85.06519	0.5
86.09695	96.7
87.05586	1.3
87.10023	2.2
88.03967	3.0
91.05460	2.1
93.07035	2.0
94.06577	0.7
95.04975	0.6
95.06077	1.0
95.08566	0.5
96.04507	0.5
96.08157	0.5
97.02868	0.5
97.06509	0.6
98.06053	0.8
101.06050	0.6
101.07149	0.7
101.10780	0.6
102.05522	2.7
103.05430	2.1
104.05322	1.7
104.07130	0.6
105.07017	1.2
106.04966	0.7
107.08550	0.8
108.08046	0.5
109.02846	0.5
109.10146	0.6
110.05991	0.6
110.07159	5.5
111.07486	0.6
112.08722	1.7
113.07132	0.9
115.08672	1.4
116.07050	1.7
118.06851	0.8
119.04910	0.5
119.08545	1.0
120.06610	3.0
120.08089	100.0
121.08411	4.0
122.09592	0.5
123.08092	0.6
127.03920	1.1
127.08697	0.9
129.06599	0.6
129.10217	6.5
130.05014	3.1
130.08609	1.4
130.09645	0.4
132.10243	0.7
133.06073	0.6
134.04469	0.8
136.07573	3.0
137.09627	0.6
138.09128	0.5
141.06583	1.1
143.11839	0.6
147.07813	0.7
147.11407	0.7
155.08171	0.6
156.07672	1.2
157.09767	0.7
166.08643	1.2
170.09351	0.8
171.11302	0.5
173.12889	0.6
175.11894	0.5
179.85860	0.4
183.10117	0.6
186.08871	0.6
187.10756	0.7
201.12326	1.1
203.12111	1.2
204.22836	0.5
211.08568	0.4
215.13843	0.7
220.16895	2.0
221.09314	0.4
223.52255	0.5
231.11545	0.9
233.16466	38.2
234.16766	1.4
235.14351	0.5
236.16585	0.6
238.17970	1.4
243.13348	0.5
249.12347	7.0
250.12631	0.6
261.15964	16.2
262.16275	1.0
267.13373	7.1
271.11865	0.7
285.08615	0.6
288.20105	0.9
298.69830	1.0
299.19891	0.8
313.12354	0.5
326.23242	1.0
331.09183	0.6
337.20547	0.6
344.24234	1.4
362.20819	5.7
362.25232	1.1
363.11572	1.3
363.82901	0.5
371.20535	0.5
379.72772	0.6
380.21671	1.2
380.26431	1.3
381.12628	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	379.1569
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.16492	0.3
55.01847	0.4
55.05489	0.6
55.93514	0.5
56.05026	1.9
60.04510	2.9
60.05632	0.5
61.01150	0.4
69.03416	0.4
69.07037	0.4
69.64275	2.6
70.02937	0.4
70.06582	13.3
71.04987	0.4
71.06911	0.3
72.08136	3.0
72.93757	0.7
74.06067	2.9
81.07022	0.5
83.06096	0.6
84.04496	3.9
84.08130	7.6
85.02881	0.9
86.09695	5.8
87.05552	0.6
87.10017	0.6
88.03986	1.0
89.03887	0.8
91.05457	0.6
93.04534	0.5
97.02779	0.4
98.06027	0.6
101.07083	0.6
102.05524	1.0
104.05343	0.6
106.04990	1.3
107.04905	0.4
110.07143	6.0
112.07613	0.4
112.08718	1.2
115.08640	0.6
116.07102	2.2
117.03398	1.0
120.08070	4.7
127.04965	0.3
129.06525	0.5
129.10234	4.4
130.04999	0.7
130.06503	2.5
130.08644	0.4
135.04407	2.5
136.07553	2.1
140.07048	0.3
140.08093	0.3
145.02773	2.0
146.06018	0.6
147.04417	0.4
147.07591	0.3
147.11200	0.6
148.06065	0.4
156.07712	0.6
157.07605	0.8
158.09215	0.7
158.97418	0.5
159.07802	0.5
159.09137	0.7
163.03873	10.5
169.13321	0.6
170.06079	0.3
175.08699	0.4
175.11919	1.0
176.98486	0.3
177.10243	0.6
188.07065	1.0
196.98959	0.4
201.12679	0.4
203.08354	0.4
214.04805	0.4
217.10443	8.8
217.12466	0.5
219.14940	0.4
221.02919	10.0
222.03174	1.6
223.97606	0.4
224.98383	0.3
233.14874	1.0
234.96823	3.4
234.99022	2.6
239.04007	2.4
243.07524	0.6
247.04500	2.7
248.04622	0.4
248.94746	0.5
250.66978	0.3
252.97888	9.7
253.00334	0.8
253.98322	0.5
275.03970	1.0
281.05014	0.4
289.03970	0.6
293.05133	0.6
301.01877	0.4
319.02747	2.3
347.15930	0.4
350.99527	0.5
378.69946	0.4
378.99072	7.2
379.15695	100.0
379.73477	0.4
379.99213	1.1
380.15692	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	380.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44281	0.7
53.03935	2.9
55.01854	3.5
55.05507	8.8
56.05025	10.4
56.06525	0.5
57.03430	4.2
58.00245	0.6
58.06596	9.4
59.04990	0.5
61.02914	1.8
65.03927	1.1
67.05495	12.5
68.05016	1.8
68.99772	1.5
69.03419	19.0
69.07059	7.3
69.85313	3.0
69.85725	0.9
70.02923	0.8
70.03738	0.7
70.06581	30.3
70.95511	0.6
71.05003	3.1
71.05347	0.6
71.06902	0.9
72.08142	6.3
73.02911	5.4
74.06068	30.2
79.05486	8.3
80.05000	2.4
81.03407	20.3
81.07047	15.0
82.06586	3.2
83.01352	0.8
83.06099	0.8
83.08601	3.3
84.04494	9.4
84.08137	6.1
85.02892	23.1
85.06528	1.2
86.06051	3.4
86.09692	48.4
87.00811	9.5
87.05561	1.0
87.10018	1.4
88.03951	0.7
91.03947	0.8
91.05454	6.1
93.07033	6.8
94.06557	4.0
95.04946	2.4
95.08596	11.3
96.08119	5.9
97.02873	10.8
97.06524	1.1
97.10145	1.9
98.09681	3.9
99.04441	7.2
100.07604	1.2
101.07124	21.4
102.05491	1.1
103.05472	3.6
105.01830	6.5
105.07020	3.8
106.06557	1.8
107.07369	2.8
107.08572	5.3
108.08094	8.6
109.02870	19.4
109.06499	1.4
109.08955	1.0
109.10170	2.9
110.03215	1.1
110.07169	1.9
110.09665	1.6
117.01843	1.4
118.97777	0.6
119.04926	1.7
119.07312	0.9
119.08566	2.9
120.08089	80.2
121.08422	1.1
121.10142	2.8
122.09640	3.4
123.04411	0.9
123.08027	1.0
123.10385	0.6
123.11689	1.5
124.07606	0.6
124.11195	5.2
125.09581	1.1
126.09134	1.4
126.12782	1.3
127.03903	27.5
128.04196	1.3
129.01823	1.6
129.10196	1.7
130.05023	1.0
130.06508	1.5
130.08640	0.6
131.08569	1.9
132.10167	4.7
134.09650	1.1
136.06201	0.7
136.07582	1.7
136.11118	0.6
140.10660	1.0
140.92908	0.6
142.12247	6.6
143.11784	5.5
145.04947	6.3
145.10115	0.9
147.02802	1.0
147.04378	4.3
147.11684	1.0
148.04727	3.2
149.04953	0.8
152.10640	1.0
158.09637	5.0
159.02872	9.0
159.09137	2.5
159.11697	0.7
160.07474	0.8
160.11194	0.7
163.14819	0.8
166.08612	5.5
169.13342	1.6
170.11783	1.6
172.11156	0.7
176.10666	20.5
177.11073	0.7
183.13780	1.2
185.16479	1.4
186.09099	3.7
187.05934	3.9
187.14394	74.9
188.14740	2.4
190.15878	1.3
194.15332	0.6
194.18950	0.7
197.12799	1.1
201.14784	0.6
202.15860	1.9
206.15382	1.0
208.16931	2.8
213.03906	0.9
215.13882	28.3
216.14127	0.9
218.15369	5.7
220.16939	18.6
221.12820	31.5
221.17250	1.4
222.18497	27.7
223.18875	3.2
224.16446	0.9
226.17952	1.2
231.04951	3.4
231.11197	2.1
233.14938	7.9
236.16403	7.1
237.16685	0.7
238.17976	27.2
239.18512	3.1
240.19550	86.4
241.19881	9.4
243.13416	1.1
247.18478	2.7
249.12306	19.4
251.06789	0.9
254.17488	8.7
255.17880	0.6
256.19040	100.0
256.69199	20.0
256.71912	1.1
257.19345	1.3
272.18524	40.4
273.16031	0.9
273.18860	5.3
279.17004	2.3
289.99063	0.6
299.19315	2.8
299.69077	0.6
313.88718	0.6
341.90060	1.3
344.19412	0.8
362.20535	3.9
370.71347	0.8
373.89691	1.4
374.22906	1.4
374.56931	2.6
374.90271	1.5
375.23380	0.8
379.71597	1.2
379.76666	0.8
379.90292	6.2
380.21997	8.3
380.27838	35.6
380.57404	27.1
380.71704	3.1
380.90997	11.7
402.73752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.8
60.04520	0.6
67.62644	0.3
69.03380	0.4
69.96732	0.7
69.97150	1.9
70.06583	3.3
72.08144	1.6
74.06055	0.7
79.05468	1.2
80.73564	0.3
84.04490	1.3
84.08147	2.6
85.02901	0.5
86.09709	0.9
89.03911	6.9
91.20132	0.3
98.21435	0.5
101.00847	0.4
102.05524	0.5
102.80893	0.3
104.05328	0.6
107.04942	2.5
110.07140	1.5
117.02595	0.7
117.03368	9.0
119.01910	2.4
129.10223	1.3
130.04941	0.4
131.01877	1.5
132.95801	0.4
135.04399	22.0
136.07539	0.5
137.02910	0.8
145.02785	12.2
147.04349	0.5
147.11267	0.4
149.02904	0.6
158.97461	0.5
161.02922	0.6
163.03882	83.5
164.04210	2.0
169.03497	0.4
173.02930	0.7
174.96873	0.7
177.03937	0.4
185.00737	2.2
189.02470	0.8
191.03876	0.4
193.03453	1.7
195.05019	0.6
203.01808	4.4
207.03416	0.6
209.02936	0.6
211.04550	0.4
213.06055	0.5
213.12463	0.3
217.01904	0.8
221.02928	100.0
222.03091	5.0
223.89133	0.5
224.08469	0.3
229.03397	1.2
234.98978	1.5
235.04675	0.4
239.03976	24.8
240.04202	1.4
244.04604	3.0
247.04501	26.1
248.04590	1.3
252.98061	0.8
257.02905	2.6
257.05096	1.1
263.03934	3.4
265.05573	3.3
270.06116	0.4
273.02466	1.6
275.03973	14.4
276.04218	0.8
277.01962	0.9
281.04980	4.9
283.06500	2.1
291.03519	2.2
293.05087	5.6
295.02887	1.2
298.05466	0.7
299.06076	5.9
301.01892	5.8
309.04446	1.8
311.06082	3.1
319.02927	22.5
319.12317	1.5
320.03119	1.0
327.05484	0.7
337.03983	2.0
353.06717	0.5
355.05215	0.5
378.72278	0.5
378.98969	0.5
379.20444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01855	2.3
55.05500	13.5
56.05026	8.0
57.05791	0.6
57.07063	1.0
58.06589	1.0
60.04517	5.2
60.05639	0.6
61.01134	2.5
67.05488	4.1
68.05009	1.8
68.76298	0.5
69.03402	1.9
69.07065	5.7
69.07393	0.9
70.02938	1.1
70.06582	47.8
70.94246	0.5
71.04985	4.2
71.06903	1.9
71.64259	0.8
72.04478	0.9
72.08143	30.7
74.06080	3.7
76.02203	0.5
76.04023	0.6
79.05482	4.0
80.05007	1.4
81.03403	1.6
81.07047	6.6
82.06571	7.4
83.04987	2.8
83.06080	2.2
83.08594	1.3
84.04492	14.0
84.08129	36.0
85.02899	3.3
85.06507	1.4
85.08469	0.7
86.06055	0.9
86.09689	21.6
87.05582	2.3
87.10027	0.7
88.03982	2.5
89.34306	0.6
91.05460	5.5
93.04494	0.7
93.07031	6.3
94.06557	5.3
95.04950	1.7
95.06065	0.8
95.07356	0.5
95.08574	5.6
96.08125	4.8
97.02871	1.4
97.06506	1.4
97.10154	1.1
98.06040	2.3
99.04398	0.6
99.05547	1.4
99.68803	0.6
101.07111	1.5
102.05517	3.9
103.05442	0.8
104.05315	8.1
105.06998	2.1
106.04982	0.7
106.06564	0.7
107.04945	0.9
107.07321	0.8
107.08572	3.2
108.08108	5.7
109.02846	0.9
109.06495	0.9
109.10145	1.6
110.07146	9.0
110.09679	4.7
111.08075	8.8
112.02179	1.8
112.07581	0.8
112.08704	1.5
113.05943	0.6
113.07117	1.4
113.09633	1.5
114.03731	1.5
114.05499	1.2
114.09178	0.6
115.08675	1.7
116.07072	6.0
119.04947	2.7
119.08553	1.7
120.05245	0.6
120.06631	0.6
120.08083	7.7
121.10132	2.9
122.09646	0.9
124.07558	0.7
124.11226	0.8
125.09642	1.0
126.05502	0.9
127.03867	1.5
127.08637	2.4
129.05490	0.7
129.06612	1.2
129.09200	1.3
129.10213	12.7
130.03299	0.8
130.04982	2.5
130.06682	1.4
130.08646	2.0
130.09698	0.6
131.08549	0.9
132.04472	0.6
132.08076	1.7
133.03154	0.7
133.06180	0.6
133.10138	1.0
136.07553	6.0
137.05942	2.7
138.09125	0.9
138.12772	2.8
139.08653	0.7
141.10167	0.7
143.11798	2.1
145.04906	0.6
147.04411	4.1
147.07607	3.4
147.11311	1.6
148.03886	2.0
148.04776	1.9
148.11197	2.0
149.09543	0.8
150.05809	2.2
151.07536	1.5
152.03343	0.6
152.07959	1.1
154.12225	0.9
155.08148	0.9
156.07736	1.1
156.13974	0.6
157.09721	1.1
158.06201	0.7
159.09270	1.0
163.03914	1.4
164.10648	0.9
166.04976	1.2
166.12265	9.5
167.10684	1.1
169.13339	1.2
171.07738	0.6
171.11354	1.2
172.11551	1.6
172.13298	1.1
173.09216	1.9
173.12897	1.0
175.08951	2.5
175.10783	2.4
181.08461	0.8
183.11372	0.7
184.13300	22.2
187.08791	0.9
187.10774	0.7
189.06947	0.9
189.12350	1.3
190.04961	1.2
192.17500	0.8
194.19005	0.6
194.99490	1.5
197.12901	2.0
201.12346	1.8
202.14346	17.0
202.15793	1.1
203.08478	3.3
203.12227	0.8
215.13925	2.1
217.13652	2.6
218.15347	1.6
220.16931	18.6
221.09541	1.4
226.15515	1.0
228.13411	1.3
236.16434	1.1
237.13249	0.6
238.17975	23.9
240.13571	0.9
252.10242	1.4
253.97324	0.7
256.19034	52.7
257.19525	1.2
262.12244	0.8
270.15128	1.2
272.16766	2.0
288.13504	0.9
288.16425	1.4
290.17810	3.0
296.16806	1.0
302.15540	0.9
311.00589	1.8
315.13461	1.2
317.11417	1.5
327.09686	1.3
341.24289	1.9
342.17389	0.9
359.12781	1.1
359.19922	9.7
359.25363	3.7
360.18979	0.9
360.23785	0.8
377.21033	100.0
378.21490	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61382	0.7
51.73667	0.6
55.01863	1.1
55.05489	2.7
55.26707	0.6
56.05029	10.2
60.04516	4.4
60.05637	1.0
61.01150	5.7
67.05498	0.9
68.04999	0.9
69.07074	5.2
69.99628	1.3
70.00019	1.7
70.02939	3.5
70.06584	63.4
71.06918	1.6
72.04478	0.9
72.08147	12.9
73.08483	0.8
74.06065	2.3
79.05485	2.7
81.03416	2.4
81.07057	3.9
83.06097	1.2
84.04501	9.3
84.08131	17.5
85.02907	1.4
85.04013	1.3
85.08457	1.2
86.09694	100.0
87.02663	1.1
87.05579	12.4
87.10030	2.8
88.03983	8.3
91.05465	4.2
93.07059	1.6
95.04954	1.1
95.06133	1.0
95.08601	1.1
96.04495	1.0
96.08130	2.8
98.02403	5.1
98.06051	0.9
99.05567	1.4
101.07125	1.8
102.05511	3.8
103.05460	1.5
104.05312	14.3
107.04960	1.2
109.02924	0.9
109.06492	3.5
110.02379	3.9
110.06057	1.1
110.07166	9.8
110.09686	1.5
112.08745	1.8
112.11229	1.0
113.07118	1.9
113.10758	2.9
115.05054	1.7
115.08674	0.9
116.07085	1.9
119.04897	1.0
119.08553	1.3
120.08089	18.3
121.06483	2.0
125.07101	2.8
127.07534	1.0
127.08687	0.8
129.10234	8.2
130.04999	2.1
130.06546	2.5
130.08603	0.9
130.10603	0.7
131.01625	2.0
133.03178	7.1
133.06075	1.2
135.04442	1.3
135.08043	0.7
136.07565	4.7
137.05943	3.0
138.09120	7.4
141.06801	0.7
141.10205	11.9
141.11180	1.1
143.11743	4.7
145.02873	0.7
146.06015	1.1
147.04436	2.0
148.03896	1.3
148.05994	1.5
149.05925	1.2
150.05801	5.5
150.06877	0.7
151.07533	1.0
153.06671	0.9
155.11780	16.4
157.07611	1.3
158.06035	0.9
159.05858	0.9
159.07828	1.4
159.09158	0.9
159.11499	0.8
161.07417	1.1
166.08626	4.0
167.09120	1.0
170.09290	2.4
171.11256	3.1
173.09200	5.6
174.96835	0.8
176.07059	0.9
177.05353	0.7
177.10216	1.6
178.04935	0.7
182.08099	0.9
182.12967	1.4
183.11275	13.6
183.14870	1.0
184.10857	1.8
185.09370	1.0
188.07008	1.0
189.06931	2.8
189.12329	4.3
190.04979	1.4
195.07730	1.9
200.13914	65.2
201.12399	2.0
201.14285	2.1
205.09712	0.8
206.08098	1.1
207.08041	1.4
209.09312	0.9
212.10326	2.3
216.10236	1.0
217.12213	0.9
218.09618	1.5
225.08716	1.2
227.11829	2.9
228.13416	21.3
228.15596	1.3
229.11832	0.8
231.12379	1.2
234.12398	1.2
234.99075	1.6
245.11630	4.6
246.09132	1.2
246.14563	1.1
254.13165	0.8
255.11252	1.0
257.12900	1.2
263.14014	9.4
273.12677	5.4
296.83344	0.7
301.11847	8.3
302.15353	2.4
303.21411	0.7
317.11380	1.6
343.12891	10.5
343.16620	0.7
359.12772	1.5
359.17438	3.9
360.15607	6.3
372.28043	0.8
376.73517	2.0
377.13293	1.3
377.17789	13.8
377.22498	1.1
378.17856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05502	2.7
56.05027	11.7
60.04510	4.3
60.05634	0.7
61.01143	5.9
67.05495	0.9
68.05025	0.6
69.03407	1.1
69.07060	5.5
70.02940	2.4
70.06583	56.9
70.18111	2.8
71.04991	0.6
71.06915	1.8
72.04504	0.7
72.08144	13.5
72.93761	0.7
74.06070	2.7
75.05587	0.6
79.05463	1.4
80.41879	0.5
81.03423	1.5
81.07044	3.8
82.06574	0.8
83.01292	0.6
83.06097	1.3
84.04491	9.7
84.08131	14.5
85.02891	2.0
85.04010	1.8
85.08469	0.7
86.09693	100.0
87.05580	11.3
87.10027	2.1
88.03973	7.4
91.05454	4.3
93.07038	1.1
93.41047	0.5
95.04927	0.7
95.08573	1.2
96.04501	1.3
96.08105	2.6
97.06541	0.6
98.02407	4.5
98.06039	0.7
99.05573	2.3
101.07108	1.2
102.05526	4.5
103.05427	1.0
104.05312	15.0
107.04937	1.1
107.08570	0.9
109.02856	1.0
109.06518	2.2
110.02373	3.4
110.07147	9.5
110.07858	0.9
110.09660	1.2
111.05577	0.5
112.08743	1.2
112.11255	0.8
113.07112	1.7
113.10719	3.1
115.05063	1.2
115.08678	1.5
116.05356	0.6
116.07095	2.1
119.04941	1.8
119.08532	0.6
120.08086	16.2
121.06496	1.1
121.08415	0.9
124.03912	0.8
125.07110	2.2
127.03934	0.6
129.10211	8.8
130.04961	2.6
130.06471	3.6
130.08638	1.0
130.10564	1.2
131.01642	1.4
131.04958	0.7
131.08585	0.7
133.03178	5.5
135.04424	0.7
136.07568	4.5
137.05984	3.1
137.07805	0.6
138.09099	6.7
139.09512	0.7
141.06616	1.1
141.10202	11.5
143.11787	7.3
144.04846	0.7
144.08066	0.6
146.06015	1.9
147.04388	2.0
147.11522	0.5
148.03877	1.1
148.06039	1.3
150.05804	6.9
151.07454	0.8
152.07008	1.0
152.14107	0.6
154.04993	0.7
155.11772	15.1
155.12971	0.9
156.07701	0.9
157.07655	1.2
159.07889	1.1
159.09256	0.6
161.07416	1.3
164.06979	0.7
166.04968	0.6
166.08629	3.5
167.09125	0.9
169.13387	0.9
170.09273	1.8
171.11296	3.1
172.07578	0.5
173.09200	7.8
177.05505	1.1
177.10281	1.2
178.04939	0.6
179.11986	0.5
182.08232	0.9
182.12941	0.9
183.11272	12.3
183.14954	0.9
184.10834	0.9
186.09106	0.5
187.14436	1.0
188.07077	1.0
188.14754	0.8
189.06900	5.0
189.12338	4.4
190.05057	1.6
194.99631	0.6
195.07561	0.7
198.09221	1.5
200.13913	59.2
201.12421	1.3
201.14262	1.2
203.10567	0.8
204.06541	1.0
205.09775	0.6
206.08124	0.6
207.08002	1.2
211.10800	0.6
212.10332	1.6
215.10675	0.8
216.10229	2.0
217.12140	1.1
225.08783	0.6
227.11856	2.5
228.11087	1.2
228.13403	23.6
229.11705	0.6
229.13754	1.3
231.09720	0.7
231.12314	0.8
234.12329	0.9
234.99101	0.7
245.11510	2.5
246.14510	2.1
255.11311	0.7
256.19144	0.6
257.13031	1.2
263.14056	8.3
273.12650	6.0
281.09238	0.8
301.11819	5.8
302.15329	3.1
311.00885	0.6
317.11423	2.3
327.49615	0.6
339.11862	0.6
342.14514	1.2
343.13013	6.8
350.85504	0.6
359.12228	1.6
359.17389	4.2
360.15512	4.7
376.73792	1.0
377.13388	1.2
377.17789	14.6
377.23010	0.8
378.17511	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	377.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
55.01868	1.1
55.05495	1.9
56.05028	14.7
57.03426	1.7
57.05344	0.5
60.04512	2.4
61.01140	8.8
65.03934	0.5
65.71470	0.5
67.05488	1.0
68.04992	1.3
69.03429	3.9
69.07066	1.7
70.02943	2.0
70.06580	100.0
71.01337	0.7
71.04978	2.0
71.06910	2.5
71.64762	0.9
72.08144	8.1
74.06069	4.0
75.04473	0.8
76.02229	0.8
79.05489	1.0
81.03404	1.3
81.07040	1.2
82.06561	0.8
83.06094	0.8
84.04488	7.3
84.08131	11.6
85.02892	2.8
85.03994	1.0
85.08468	0.9
86.09693	32.5
87.05574	3.7
87.10021	0.8
88.03989	2.0
91.05464	1.5
93.07029	1.3
95.04967	1.1
95.08568	0.6
96.08089	1.0
97.06551	0.9
98.02413	1.7
98.06076	0.9
99.04444	1.7
101.07114	1.2
102.05543	1.8
103.05447	1.0
104.05313	26.7
105.07027	0.8
106.04931	0.6
107.04953	1.1
107.08585	1.2
108.04453	1.0
108.08092	0.8
109.07712	0.6
110.07156	7.5
111.05585	0.9
112.08725	1.1
113.07114	5.5
115.05054	0.5
116.07094	2.5
119.04935	1.0
119.08571	1.1
120.08088	27.5
121.08463	1.2
121.10155	0.7
122.02710	0.5
122.54868	0.6
125.07144	1.8
127.08655	40.3
128.07103	0.8
128.09010	0.8
129.10225	6.4
130.04997	2.8
130.06546	1.8
132.08034	0.9
132.10187	1.2
133.03175	0.9
135.11705	0.6
136.07556	3.4
137.06000	1.4
138.09129	0.8
141.10226	2.2
143.11845	0.7
145.10056	0.9
147.04395	1.2
148.03920	1.4
148.06010	1.3
150.05830	1.7
151.03896	1.1
152.07149	0.8
153.06573	2.8
155.08128	34.5
156.07637	1.1
156.10271	0.6
157.13419	0.7
159.05920	2.3
159.09157	0.8
161.07428	1.0
164.07031	0.9
165.05460	0.6
166.05025	0.9
166.08643	1.1
167.09071	0.9
169.13423	0.6
170.09236	7.0
172.08669	5.9
173.07430	0.5
182.08276	0.7
183.11357	0.9
184.04257	0.7
187.10814	0.8
189.06979	1.7
189.12344	3.5
190.05000	2.1
197.12923	0.7
198.06409	0.6
200.08281	0.7
200.14024	1.0
201.06946	1.8
201.12245	4.0
213.08745	0.6
216.07710	2.5
217.13524	1.8
218.09540	7.3
220.16862	0.7
223.10770	5.0
229.06589	1.1
229.11824	1.6
234.12439	1.5
238.18140	1.0
243.08751	15.1
245.13080	0.8
246.09105	7.8
246.14328	0.8
249.12309	0.6
252.17867	0.8
255.11237	0.6
257.13013	1.9
263.13995	2.9
271.10971	0.9
273.12643	1.0
274.12976	0.8
274.15424	3.6
299.10440	0.7
302.14935	6.8
317.11426	1.5
320.15982	2.9
343.13071	0.9
345.10916	1.6
359.13092	1.2
359.17365	2.0
360.15820	1.2
364.87262	0.6
376.73282	0.7
377.14542	21.3
377.18457	6.0
378.14969	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03931	1.6
55.01853	1.3
55.05490	1.2
56.05030	4.4
57.03180	0.5
57.03435	7.1
59.04980	0.7
60.04497	0.7
61.01150	2.8
61.02926	3.3
67.05499	0.9
68.04993	0.5
69.03081	0.8
69.03429	13.4
69.07058	0.7
70.02964	0.4
70.06586	29.5
71.01349	2.0
71.04115	1.0
71.04482	0.5
71.04987	3.9
71.06909	1.1
72.08147	7.3
73.02911	2.2
74.06065	2.0
75.04461	2.2
81.03416	3.5
81.07062	0.6
82.06572	0.6
83.06095	0.5
84.04497	3.4
84.08138	6.8
85.02899	0.7
85.08442	0.5
86.09698	14.9
87.05569	1.4
87.10038	0.6
88.03968	1.4
91.05482	1.2
94.06565	0.5
98.02383	0.9
99.04445	4.5
100.04010	0.4
101.07128	0.5
102.05512	0.8
103.05460	0.6
104.05326	7.2
110.07185	2.7
112.07662	0.5
113.07120	1.3
115.08675	0.7
116.07076	0.7
117.05468	1.1
120.08095	9.3
121.00592	0.4
121.08434	0.7
121.77506	0.4
125.07077	1.0
127.08667	9.4
129.10223	3.7
130.04979	0.6
130.06490	1.0
130.08643	0.4
130.10562	0.5
132.10155	0.9
136.07562	1.3
137.05911	1.2
138.09122	0.5
141.10216	1.9
145.07616	2.1
147.04497	0.6
148.05966	0.6
149.09479	0.5
150.05775	0.8
151.03841	0.6
153.06558	1.0
155.08127	6.5
156.07716	0.5
159.05830	0.6
159.09129	0.8
164.07352	0.7
166.08615	0.7
169.09738	0.8
170.07184	0.8
170.09236	2.1
171.07655	0.4
172.08684	26.2
173.09158	0.6
174.10243	0.7
175.08653	1.0
186.12367	2.9
189.12340	0.6
190.09706	1.3
198.06651	5.6
200.08176	4.2
201.12318	1.8
214.09698	0.9
214.11902	1.4
216.07669	15.8
218.09491	3.2
220.16956	0.6
223.10843	1.0
229.11635	0.6
234.12471	0.6
238.17976	1.1
239.18559	0.5
242.08298	0.4
243.08762	68.0
244.07086	1.1
244.09174	1.5
246.09079	2.6
257.12704	0.7
263.14304	1.0
302.15033	1.4
345.10971	0.6
359.13278	2.7
377.14499	100.0
378.14630	3.1
400.42593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.5
56.05023	11.1
58.75131	4.4
60.04519	8.9
69.03421	6.9
70.06581	17.1
71.70515	7.6
72.08137	17.0
74.06069	10.6
77.17770	4.0
84.04488	12.3
84.08142	30.0
85.02893	8.4
85.04814	4.2
86.09692	31.9
88.03993	4.1
90.05607	4.2
97.02874	4.3
98.02446	3.9
104.05307	5.0
104.07147	4.9
108.28520	3.6
110.07106	5.7
115.08668	4.7
116.07101	7.2
117.03335	4.2
119.01958	6.3
125.86840	3.6
126.16717	4.0
127.03915	4.2
129.10219	12.5
130.05017	5.7
135.04384	5.6
136.07552	5.6
145.04985	4.5
147.07655	5.8
163.03873	15.7
187.09335	5.0
189.10756	5.5
189.12340	4.8
199.23325	4.0
215.08826	8.4
219.73807	4.7
221.02966	17.4
233.09851	4.5
239.04019	5.4
245.01340	6.0
257.09741	10.4
275.02475	5.7
277.07193	4.4
293.80728	4.0
333.09241	6.2
359.19125	6.6
377.07593	100.0
377.11823	42.4
377.20886	9.3
378.08685	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	375.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58119	0.5
53.03945	0.6
55.05503	6.8
56.05016	3.5
58.06599	0.6
60.04210	0.8
60.04512	14.8
60.05629	1.0
61.01148	0.5
67.05492	0.8
68.05003	0.5
69.03414	0.7
69.07058	6.3
69.96052	2.8
70.02933	1.1
70.06580	18.1
71.06922	0.8
72.08143	94.6
73.08453	0.8
74.06063	2.1
76.03997	0.5
79.05478	0.7
81.03420	0.7
83.06101	1.1
84.04497	5.8
84.08130	16.9
85.02898	1.3
85.03999	0.6
85.06525	0.6
85.08481	0.6
86.09691	100.0
87.05578	8.5
87.10028	2.2
88.03977	2.3
91.05465	1.8
93.07028	0.5
95.08591	0.7
96.08105	0.7
98.06052	0.6
99.05552	1.1
101.07130	1.0
101.10825	0.4
102.03741	0.6
102.05519	1.6
103.05421	1.2
104.05279	0.6
105.06603	1.5
107.04979	0.6
107.08576	0.7
109.10185	0.5
110.06026	0.5
110.07145	8.3
110.09640	0.8
111.09187	0.5
112.08698	1.4
114.09136	3.1
115.08646	1.0
116.07081	1.6
117.86037	0.6
119.04908	2.0
119.08524	1.0
120.06539	0.5
120.08069	3.5
121.06435	0.5
123.04403	0.6
123.08115	0.5
124.07576	0.8
127.08569	1.0
128.10698	6.4
129.06595	0.6
129.10214	7.0
130.04979	1.5
130.06496	0.7
130.08598	2.4
130.10638	0.7
131.04955	1.1
134.08125	1.0
134.98410	0.4
136.07561	2.5
137.05956	1.8
138.09091	1.3
141.06514	0.8
141.10208	0.7
143.08104	0.7
143.11780	6.9
144.06528	2.0
144.10158	0.6
147.04387	5.3
147.07565	0.6
147.11263	2.0
148.06026	1.4
149.05913	0.4
153.54793	0.5
155.11766	1.0
158.09245	0.5
159.07645	2.4
159.11266	14.1
161.09195	2.2
163.07458	1.5
166.08562	1.1
167.06921	0.6
167.11743	0.7
169.09686	0.6
171.11272	4.5
173.12836	52.3
174.13174	1.1
175.10742	35.5
178.06024	0.4
183.11276	1.0
185.16447	0.5
187.07115	0.8
187.10732	8.2
187.14310	0.9
189.12323	10.7
195.10181	0.6
197.12956	0.8
201.12305	29.1
205.11833	4.2
213.10822	0.9
213.12534	0.9
213.15865	0.6
225.15781	1.0
228.13460	0.8
233.14832	0.6
234.46713	0.5
255.16940	1.5
262.13925	1.0
270.17966	1.6
276.15189	0.6
282.18146	2.6
300.19113	5.0
322.98041	0.5
339.22644	1.0
357.20694	0.8
357.23947	1.0
375.12167	2.1
375.23660	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	374.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05344	0.2
55.05500	1.8
56.05026	1.4
58.06581	0.3
60.04512	0.9
60.16285	0.3
61.01144	0.6
67.05476	0.4
69.07045	1.3
70.02967	0.4
70.06583	28.5
70.24177	1.4
71.06285	0.3
71.06919	2.2
72.08145	9.8
73.08470	0.5
74.06061	1.1
76.71929	0.2
80.74947	0.2
81.07093	0.3
82.06526	0.3
83.06103	0.4
84.04488	5.0
84.08134	7.4
85.02907	0.6
85.08466	1.1
86.09693	100.0
87.05563	0.6
87.09502	0.3
87.10010	1.6
88.03953	0.4
90.05553	0.5
91.05464	0.6
93.07027	0.4
95.04936	0.3
95.06083	0.3
98.06050	0.8
98.20760	0.3
99.09204	0.3
101.07130	0.6
102.05527	2.1
104.05273	0.3
106.06541	0.9
109.06487	0.3
110.07140	2.1
112.08696	0.7
112.35043	0.3
115.08688	0.5
116.07063	0.8
118.06881	1.7
119.04946	0.5
119.07251	0.3
119.52095	0.3
120.06534	0.3
120.08110	1.1
122.02763	0.4
126.05531	0.7
127.08678	0.7
129.10213	3.9
130.04990	2.8
130.10597	0.7
133.10077	0.3
136.07559	1.0
137.05896	0.5
143.11754	0.5
144.06494	0.6
145.02878	0.5
147.04390	0.8
147.11258	0.3
148.06026	9.3
150.05698	0.4
155.08092	0.3
156.07669	0.3
159.11278	0.8
161.09244	0.7
171.11287	0.4
173.12877	1.1
175.10762	0.8
176.88431	0.3
177.05463	1.6
189.12337	0.3
194.08176	0.6
195.06447	0.7
195.11351	0.4
197.16464	0.4
199.18031	30.9
200.18443	0.7
201.05655	0.3
201.12383	0.6
202.05753	0.4
203.10275	0.9
213.11351	0.7
217.11836	1.1
220.17030	0.9
227.17513	22.4
228.17821	0.5
238.17970	1.4
243.13339	0.4
256.19061	0.8
261.14435	7.9
270.18103	0.3
271.12350	0.7
272.12320	0.4
287.15341	0.4
300.15372	0.3
331.13467	0.5
351.20108	0.6
364.70020	0.5
374.25494	3.5
374.29108	0.4
375.12286	1.4
397.20831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2285
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
55.05505	0.6
56.05037	1.3
57.05832	0.2
60.04515	0.7
61.01147	0.3
67.05503	0.3
69.03445	0.3
69.07064	4.3
70.02943	0.3
70.06583	9.6
71.06915	0.6
71.66670	0.3
72.08145	4.1
74.06066	0.7
74.30556	0.2
76.03996	0.3
81.07033	0.3
83.06094	0.4
84.04494	5.0
84.08136	7.0
85.02892	1.1
85.04818	0.4
86.09696	100.0
87.05588	0.5
87.09487	0.4
87.10018	2.2
88.03983	0.8
91.05466	0.8
95.06046	0.3
96.08083	0.3
98.06057	0.4
101.07131	0.7
101.10751	0.3
102.05528	2.0
107.04896	0.2
107.70502	0.2
110.07154	2.1
112.08697	0.4
113.07090	0.4
114.09128	0.3
115.08713	0.7
116.07089	0.7
117.03389	0.4
119.04955	0.7
120.08054	1.2
122.02711	0.5
127.03912	1.8
127.04831	0.3
127.08604	0.3
129.10219	3.7
130.04991	3.6
130.08649	0.5
131.05321	0.8
136.07556	1.9
137.05963	0.3
137.52269	0.2
141.06575	0.2
141.10205	0.6
142.09795	0.3
143.11795	0.4
144.06522	0.5
145.02806	1.4
145.04935	0.3
147.04395	0.7
147.07642	4.0
147.11243	0.6
148.06033	5.7
148.07925	1.5
152.07155	0.3
155.11809	0.4
156.07671	0.2
157.09651	0.3
161.09244	0.5
163.04007	0.3
169.09714	0.3
175.11909	0.4
177.05452	3.5
183.11247	0.4
187.14420	0.3
195.06525	2.3
197.12918	0.3
199.18037	31.8
200.13948	0.6
200.18388	1.4
211.11987	0.4
212.03888	0.4
213.11177	0.3
220.17053	0.3
227.17522	18.1
228.17940	0.5
250.08762	0.2
256.19028	0.5
260.16278	0.2
261.14380	5.5
262.14615	0.3
274.18738	0.3
374.12878	0.3
374.23990	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	374.2277
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
51.34153	0.2
55.05506	0.4
56.05016	1.7
60.34177	0.2
67.05507	0.6
67.14283	0.2
68.05006	0.5
69.03428	0.4
69.07055	1.6
69.91339	1.3
70.02902	0.2
70.06580	3.0
72.08140	0.8
74.06075	0.3
79.05472	0.8
81.03421	0.4
81.07044	1.7
82.06563	0.3
83.04984	0.3
84.04491	26.5
84.08136	1.1
85.02896	1.1
85.04848	0.4
86.09693	100.0
87.04462	0.5
87.10020	2.4
91.05463	0.8
93.07036	0.4
95.04943	0.4
96.04472	1.3
97.06532	0.5
98.21426	0.4
102.05527	13.0
103.05399	0.4
105.07014	0.6
107.04979	0.6
107.08598	0.4
109.06515	0.5
110.06001	0.5
110.07152	0.5
113.07123	1.6
114.05510	0.7
120.08097	1.2
121.06467	0.7
122.02699	0.5
124.03966	0.7
125.05903	0.3
127.03891	0.3
127.07522	1.0
129.06584	4.7
129.10211	0.5
131.04916	0.8
132.10187	38.5
133.06439	0.3
133.10497	0.8
136.05971	0.3
136.07538	0.3
137.05927	1.4
141.06560	3.2
142.04980	0.5
143.11804	0.4
144.08035	0.4
151.07545	0.3
152.10658	2.3
155.08151	0.5
159.09203	0.3
163.07520	1.5
167.06972	0.5
170.11757	3.8
188.07018	0.5
195.06535	0.3
197.12828	17.8
198.13165	0.5
199.18027	0.3
204.06548	0.6
204.13998	0.4
205.06868	0.6
214.08492	0.4
215.13884	30.5
216.14224	0.6
220.16852	0.4
223.60194	0.3
225.12312	8.0
238.17989	0.8
240.19482	0.4
243.13373	16.6
244.13705	0.3
245.18579	2.4
259.81732	0.3
261.14413	0.6
297.12262	0.3
310.21170	0.5
338.20627	0.6
342.10654	1.5
356.21951	1.6
357.14243	0.3
374.22009	0.5
374.57037	0.6
374.77698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05344	0.2
55.05500	1.8
56.05026	1.4
58.06581	0.3
60.04512	0.9
60.16285	0.3
61.01144	0.6
67.05476	0.4
69.07045	1.3
70.02967	0.4
70.06583	28.5
70.24177	1.4
71.06285	0.3
71.06919	2.2
72.08145	9.8
73.08470	0.5
74.06061	1.1
76.71929	0.2
80.74947	0.2
81.07093	0.3
82.06526	0.3
83.06103	0.4
84.04488	5.0
84.08134	7.4
85.02907	0.6
85.08466	1.1
86.09693	100.0
87.05563	0.6
87.09502	0.3
87.10010	1.6
88.03953	0.4
90.05553	0.5
91.05464	0.6
93.07027	0.4
95.04936	0.3
95.06083	0.3
98.06050	0.8
98.20760	0.3
99.09204	0.3
101.07130	0.6
102.05527	2.1
104.05273	0.3
106.06541	0.9
109.06487	0.3
110.07140	2.1
112.08696	0.7
112.35043	0.3
115.08688	0.5
116.07063	0.8
118.06881	1.7
119.04946	0.5
119.07251	0.3
119.52095	0.3
120.06534	0.3
120.08110	1.1
122.02763	0.4
126.05531	0.7
127.08678	0.7
129.10213	3.9
130.04990	2.8
130.10597	0.7
133.10077	0.3
136.07559	1.0
137.05896	0.5
143.11754	0.5
144.06494	0.6
145.02878	0.5
147.04390	0.8
147.11258	0.3
148.06026	9.3
150.05698	0.4
155.08092	0.3
156.07669	0.3
159.11278	0.8
161.09244	0.7
171.11287	0.4
173.12877	1.1
175.10762	0.8
176.88431	0.3
177.05463	1.6
189.12337	0.3
194.08176	0.6
195.06447	0.7
195.11351	0.4
197.16464	0.4
199.18031	30.9
200.18443	0.7
201.05655	0.3
201.12383	0.6
202.05753	0.4
203.10275	0.9
213.11351	0.7
217.11836	1.1
220.17030	0.9
227.17513	22.4
228.17821	0.5
238.17970	1.4
243.13339	0.4
256.19061	0.8
261.14435	7.9
270.18103	0.3
271.12350	0.7
272.12320	0.4
287.15341	0.4
300.15372	0.3
331.13467	0.5
351.20108	0.6
364.70020	0.5
374.25494	3.5
374.29108	0.4
375.12286	1.4
397.20831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
55.91820	0.3
56.05023	1.9
60.04512	1.2
60.05663	0.4
65.03932	0.8
66.33423	0.4
69.03419	0.4
69.07056	2.0
70.02934	0.5
70.06586	13.7
70.09525	1.0
70.09942	0.7
71.06906	1.8
72.08148	6.3
74.02420	0.6
74.06071	1.7
75.05585	0.6
76.04001	0.3
80.07813	0.3
83.06094	1.2
83.72914	0.3
84.04498	7.9
84.08136	14.3
85.02891	0.8
85.08462	0.5
86.06020	0.4
86.09697	22.4
87.05572	1.9
87.10039	0.5
88.03983	1.4
89.06048	0.5
91.05470	100.0
92.05795	1.4
93.04517	0.7
95.06092	0.4
96.04424	0.4
96.08108	0.6
98.02414	0.3
98.20745	0.4
101.07125	1.3
101.10748	0.4
102.05527	2.4
104.05322	0.5
104.07095	0.4
108.08105	42.9
109.08448	0.8
110.07162	6.3
110.09702	0.4
112.07594	1.6
112.08758	0.8
113.07135	0.4
113.07917	0.7
114.05521	0.5
115.05026	0.5
115.08669	1.0
116.07080	1.1
117.03320	0.3
120.08102	2.1
122.02698	0.4
123.05561	0.5
127.05025	0.4
127.08680	0.9
129.06590	0.8
129.10228	8.8
130.04977	4.9
130.08644	1.6
130.10608	0.4
133.06111	2.0
138.09117	0.8
141.06548	0.8
141.10196	1.4
143.11786	1.2
145.02824	0.4
147.04367	1.2
147.07625	6.3
147.11266	1.7
148.06139	2.4
155.11758	1.1
156.07614	0.5
157.09631	0.5
163.03911	1.5
166.08577	0.3
169.09891	0.3
171.11255	1.0
173.09178	0.7
175.10646	0.6
175.12038	0.5
176.07011	0.4
176.11060	0.9
182.12932	0.6
183.11282	0.8
187.07123	0.7
187.10751	0.4
195.12277	0.7
199.18019	0.8
200.11095	0.5
200.13966	2.9
201.08856	0.4
201.12328	0.7
204.09773	0.9
211.10518	0.5
211.15578	0.4
212.09166	0.5
226.62894	0.7
228.13449	1.3
229.11835	0.7
233.10043	0.3
241.08080	0.4
242.14966	0.9
244.12872	0.4
246.14650	0.4
257.13904	0.6
258.11185	1.2
260.16177	0.4
285.13458	1.1
356.19348	0.6
357.21503	0.3
374.12155	0.9
374.24481	4.3
375.18829	0.4
375.23532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62230	0.5
56.05020	2.4
60.04510	1.2
61.01131	0.9
61.02896	0.8
61.82388	0.5
68.05033	0.7
69.03417	2.4
69.07048	1.4
70.02955	0.9
70.06582	20.9
70.30455	1.0
70.30871	1.9
71.04964	0.6
71.06908	2.2
72.08144	7.4
74.06053	2.5
81.03384	0.9
82.06577	0.5
83.06091	1.9
84.04496	6.5
84.08133	15.0
85.02902	7.3
85.03975	0.5
85.08458	1.0
86.09696	25.1
87.04453	0.5
87.05573	2.5
88.03975	1.2
89.06020	49.6
90.06364	0.7
93.07049	0.4
97.02854	2.0
98.02428	0.6
99.04446	0.6
99.05557	0.7
101.07076	1.4
102.05521	1.9
104.05323	1.2
107.07063	3.6
108.29802	0.4
109.02875	0.6
110.07168	2.6
112.07597	9.3
112.08418	0.7
112.08724	0.9
112.58048	0.5
113.07152	1.2
113.07922	1.2
115.08640	0.7
116.07059	0.9
120.06521	0.7
120.08068	0.9
127.03921	1.0
127.04974	0.8
129.06561	1.4
129.10223	7.0
130.04993	1.4
130.08675	2.6
130.09488	0.5
133.08583	17.3
136.07593	0.7
139.08676	0.7
140.07068	4.1
140.08022	0.7
141.06497	0.8
141.07443	0.7
141.10214	2.3
143.11754	1.6
144.06543	1.3
145.04999	0.9
147.04390	1.0
147.07652	1.1
147.11266	1.3
148.06123	0.8
151.09627	2.4
155.11797	0.8
156.07805	0.5
157.09676	0.7
158.09259	1.0
159.07599	0.6
161.09175	1.0
163.03871	1.1
164.04221	0.6
167.08102	0.7
168.11440	0.6
169.06044	0.6
169.09709	0.7
171.11279	0.9
172.07100	0.7
173.09128	0.9
175.11934	0.7
176.44789	0.5
177.05693	0.6
177.11151	4.0
183.11298	1.2
185.09206	0.7
185.12912	0.8
186.08716	1.8
186.12357	1.2
189.12299	1.6
195.12260	100.0
196.12654	2.8
199.03815	0.5
200.13867	2.9
201.12352	0.9
214.11748	0.6
225.13387	0.7
227.17488	0.6
228.13426	1.4
232.28604	0.5
240.13487	0.6
243.10788	0.8
261.96725	0.5
271.17517	0.6
285.15552	1.7
298.18686	0.7
299.17276	0.9
345.15857	0.7
356.19376	0.7
357.21448	1.1
374.24796	0.6
375.12216	0.5
375.23346	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	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.87976	0.7
55.01860	3.1
56.05040	0.7
57.03422	3.1
60.04510	1.0
61.02914	2.6
65.03924	1.8
69.03421	14.7
69.57813	6.0
70.06574	3.3
71.04991	1.5
72.08154	1.0
73.02907	3.0
81.03411	9.9
84.04470	1.0
84.08138	1.5
85.02895	44.6
86.09715	4.8
87.00820	19.6
87.01334	1.5
91.05470	100.0
92.05813	1.4
97.02877	14.8
99.04443	6.6
103.03925	1.1
105.01852	30.2
105.07034	1.5
108.04477	2.3
108.08109	1.1
109.02871	14.5
115.03962	1.2
117.01849	1.3
120.08084	1.2
126.05578	0.8
127.03899	35.2
129.01805	1.7
129.06976	1.5
132.10223	0.9
133.06456	1.0
145.03871	1.6
145.04944	18.7
145.06471	1.7
147.02872	2.2
157.06467	1.2
159.02884	6.8
164.15385	0.7
171.07922	1.2
175.07562	1.6
181.06445	0.9
189.03932	3.5
195.06514	1.3
198.72322	0.8
199.07497	1.9
213.03905	1.7
217.08563	1.7
220.16881	0.9
231.04976	10.4
238.18172	1.0
240.19585	1.4
248.07706	1.4
249.06078	2.9
321.09634	2.4
339.11047	0.8
373.77460	1.6
374.77548	4.7
384.81186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01863	1.1
55.05501	2.7
56.05030	4.4
57.03417	1.3
60.04515	4.0
60.05639	1.0
61.01133	1.9
61.02906	2.4
67.05480	0.8
68.05027	0.6
69.03423	4.2
69.07047	2.9
69.59496	3.8
70.02932	1.3
70.06582	41.2
71.04978	1.5
71.06901	3.5
72.08144	18.3
73.02902	1.1
73.08473	1.4
74.02424	0.4
74.06066	2.5
79.05479	1.0
79.95770	0.4
81.03394	2.4
81.07038	1.1
82.06552	0.7
83.04967	0.7
83.06088	1.4
84.04021	0.7
84.04495	10.7
84.04998	0.5
84.08131	21.3
85.02892	16.4
85.04816	0.6
85.06523	0.7
85.08477	1.7
86.09692	35.2
87.04448	0.6
87.05582	1.4
87.10008	2.2
88.03964	2.6
88.07578	0.5
89.03883	3.0
89.63258	0.4
90.05559	0.8
91.03969	1.1
91.05445	2.5
93.07043	1.5
95.04955	0.9
95.06058	0.6
95.08584	0.6
96.08100	1.1
97.02876	5.0
97.06520	0.4
98.06034	0.8
99.04467	0.7
99.05544	0.9
101.07111	0.9
101.10829	0.4
102.05523	3.9
103.05437	1.5
104.05314	2.1
105.07018	1.3
107.04927	0.5
107.08596	1.0
108.04439	0.7
109.02852	1.6
109.06467	0.6
109.10148	0.5
110.06036	0.7
110.07146	9.0
112.08742	2.2
113.07111	0.6
114.05512	0.5
115.05048	0.7
115.08668	1.8
116.07064	1.9
117.03357	11.8
118.06862	1.3
119.04926	1.0
119.08567	0.7
120.08088	11.9
121.06532	0.4
121.08444	1.1
122.02728	1.2
122.64926	0.5
123.08113	0.5
125.06075	0.5
125.07116	0.6
126.05457	0.5
127.03906	3.9
129.06628	0.4
129.10222	14.3
130.05011	1.5
130.08662	1.0
130.10567	1.0
131.04855	0.7
132.01151	1.0
132.10207	0.5
133.03183	1.2
133.06096	1.2
134.03612	0.9
135.04358	2.3
136.07542	3.8
137.05972	1.9
139.08612	0.9
140.08176	0.5
141.06578	0.7
142.03195	0.5
142.07748	0.7
143.08604	0.4
143.11803	1.1
144.06558	2.1
145.02823	36.9
145.04756	4.4
145.06042	0.6
145.10081	0.7
146.03113	0.8
147.04362	1.1
147.07643	1.3
147.11253	0.9
148.06012	0.6
148.07690	0.8
149.05965	7.8
150.05801	1.7
153.05455	1.1
155.08231	0.9
156.07658	3.0
157.06073	0.4
157.09946	0.5
159.07684	0.7
159.09169	0.5
159.11548	0.4
161.09300	0.6
162.03152	0.7
162.07611	4.3
163.03876	3.0
163.07431	0.8
164.07065	0.9
165.05290	0.4
166.08600	0.9
167.06950	0.8
173.04330	0.4
173.05931	0.5
173.12900	1.0
175.11862	1.0
177.05444	100.0
178.05771	2.8
180.08652	1.9
183.11205	0.5
185.16487	3.2
186.05515	1.1
194.08118	1.4
195.06502	59.2
196.06882	1.3
197.13039	0.6
199.10757	0.8
199.14819	1.4
199.18010	1.2
201.05431	0.9
201.12271	0.7
202.05789	1.1
204.06610	1.0
205.06839	0.9
209.09169	1.0
212.09201	1.2
213.15990	1.7
217.11824	0.8
217.15811	1.1
220.16902	2.5
227.08263	0.6
227.17529	0.6
238.17975	3.9
244.12849	0.5
256.19006	2.6
266.08716	0.5
271.12128	0.8
279.08661	0.7
283.66144	0.5
315.09610	0.5
326.10748	0.6
342.10559	1.1
356.18948	0.7
365.19846	0.8
374.21466	2.3
374.25507	11.5
375.11856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2443
Annotation	Leu Leu Gln
Peak:m/z	Relative Intensity
55.01870	0.4
55.05501	1.1
55.48704	0.4
56.05026	2.0
60.04512	1.4
60.05634	0.6
60.23982	0.3
61.01143	0.5
61.05898	0.3
66.13290	0.3
68.05018	0.5
69.03413	0.4
69.07063	1.7
69.63737	2.5
70.06582	20.6
71.06919	0.5
72.08143	8.9
74.06073	1.1
82.06579	0.4
84.04493	25.4
84.07624	0.6
84.08130	11.8
85.02869	1.0
85.04867	0.4
85.08447	0.7
86.06050	0.7
86.09693	100.0
87.05591	0.6
87.10026	1.2
88.03970	1.0
91.05425	0.7
93.07023	0.5
95.04938	0.4
95.06042	0.5
97.06547	0.5
98.06026	0.5
101.07134	4.4
102.05534	3.2
104.05264	0.5
106.06496	0.5
110.07153	2.6
111.09161	0.4
112.08716	1.2
113.07127	0.5
115.08682	1.1
116.07074	1.2
118.06844	0.6
120.08064	2.2
127.04998	0.4
129.06577	0.3
129.09337	0.6
129.10223	5.4
130.04982	42.1
130.08604	1.0
130.10583	0.3
131.05289	0.3
131.11798	0.4
134.22784	0.3
135.08034	0.4
136.07550	1.2
137.05988	0.7
141.06525	0.9
143.11783	0.4
144.06512	1.1
144.10138	0.4
145.02820	0.9
146.06105	0.5
147.04398	1.4
147.07625	69.4
147.11215	2.0
148.06076	1.5
148.07973	0.5
149.05957	0.5
155.08043	0.4
157.09718	1.2
159.07686	0.5
161.09203	1.3
163.03949	0.4
171.14851	0.6
173.09204	0.5
173.12854	0.4
175.11989	0.4
177.05400	2.4
183.14859	0.6
185.09148	0.9
185.16460	0.5
187.07095	0.5
195.06458	1.0
198.09154	0.5
199.09502	0.4
199.18031	19.5
201.05455	1.4
205.06509	0.3
217.11873	0.5
225.63831	0.4
227.17496	11.2
243.13365	0.8
244.13089	0.4
260.16019	9.3
261.14368	1.0
271.12177	0.9
284.65762	0.3
286.17493	0.5
341.10266	0.5
355.11368	0.6
372.72327	0.5
373.12454	1.0
373.24481	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	373.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17434	0.3
55.05511	3.2
56.05027	4.6
57.03433	0.5
57.05836	0.3
58.06564	0.4
58.99571	0.3
59.04999	0.5
60.04518	1.7
60.05645	0.7
61.01141	1.6
67.05493	0.8
68.05038	0.5
69.03435	0.8
69.07066	2.0
70.02957	1.1
70.06586	50.3
70.15241	1.6
71.04984	0.4
71.06917	1.9
72.08148	31.8
73.08484	0.6
74.06093	2.0
74.09734	0.3
79.05495	0.9
81.03447	0.6
81.07064	0.5
82.06567	0.7
83.06105	1.0
84.04497	7.0
84.08135	100.0
85.00465	0.3
85.02910	1.3
85.06534	1.2
85.07786	0.3
85.08002	0.3
85.08465	2.0
86.09696	72.0
87.05578	1.7
87.10039	0.9
88.03989	1.1
90.05548	0.6
91.05484	1.5
92.23489	0.4
93.04505	0.3
93.07082	0.6
94.06577	0.6
95.04940	0.5
95.06107	0.6
96.08106	1.2
98.06064	0.6
99.09197	0.4
101.07161	0.5
101.10764	3.8
102.05534	3.5
102.09145	0.7
103.05448	0.4
104.05316	0.5
106.06539	0.3
106.87911	0.4
107.05022	0.4
109.06495	0.4
110.06414	0.5
110.07158	4.1
111.09230	0.8
112.07589	0.6
112.08714	2.1
113.07129	0.7
115.08691	1.0
116.07087	1.4
117.03693	0.7
118.06868	7.1
119.04954	0.6
119.08604	0.4
120.06628	0.4
120.08099	2.5
125.07107	0.5
126.12850	0.3
127.07555	0.9
127.08598	0.8
129.10228	65.4
130.05003	1.3
130.08633	1.1
130.10635	1.2
131.04915	0.5
132.10278	0.3
136.07581	0.9
137.05962	0.9
137.58832	0.4
138.06607	0.6
139.08661	0.5
141.10220	0.6
143.08206	0.7
143.11784	0.6
144.06575	2.2
145.02888	0.9
147.04398	0.7
147.07635	3.0
147.11298	1.2
148.06050	2.8
148.07619	0.6
149.05980	0.7
150.05663	0.4
152.14322	2.0
153.01840	1.1
155.08124	0.4
155.11848	0.5
157.09706	0.5
157.13347	10.3
157.14636	0.6
161.06075	0.8
161.09201	2.5
161.12874	0.3
162.06657	0.4
163.03870	0.4
163.11118	0.3
164.18852	0.4
166.08588	0.5
167.09349	0.5
169.17006	0.4
171.11299	1.1
172.03961	1.0
173.06081	0.4
173.12891	0.6
177.05507	2.0
183.14949	0.9
185.10316	1.0
185.12848	9.9
185.16464	0.8
186.13232	0.4
189.12321	9.7
194.08118	1.9
195.06517	0.6
196.14444	0.5
197.12880	0.5
197.16466	4.8
199.10712	0.4
199.18039	9.6
201.05438	2.6
201.12466	0.4
203.13942	0.9
204.06517	1.6
210.16075	0.4
211.05980	0.4
211.14458	0.3
213.16090	0.5
214.19174	0.8
217.11836	3.3
217.15454	0.4
219.06425	0.4
220.16963	1.1
221.17261	0.8
224.17577	1.8
225.16080	1.1
227.17529	5.8
228.17171	0.6
238.18024	1.4
238.27943	0.4
239.17993	2.0
242.18610	6.9
243.11595	0.6
243.17087	0.6
245.18582	3.1
251.14925	0.4
254.86888	0.3
256.16794	0.6
256.19009	1.9
257.19385	3.8
260.19760	1.9
261.14441	1.6
265.14960	0.8
265.65179	0.4
271.12201	3.2
274.17432	0.4
284.19476	2.3
285.13782	0.5
293.07855	0.4
294.87497	0.3
297.10861	0.6
302.16678	0.9
325.11008	0.7
341.10303	1.8
355.22495	0.5
355.27066	0.4
356.25336	0.8
361.92743	0.4
364.19751	0.4
364.69916	0.6
373.13467	0.6
373.21161	3.6
373.28085	29.9
374.21512	1.3
374.28607	1.1
387.25613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
56.05027	2.1
57.05806	0.3
58.06598	0.5
60.04507	1.3
60.05631	0.8
61.01131	0.7
66.81042	0.3
67.05475	0.4
68.05007	0.4
68.85760	0.3
69.03420	0.7
69.07056	6.2
70.06583	26.4
70.19675	0.8
70.20075	0.6
71.04984	0.3
71.06908	1.8
72.08144	26.7
73.08479	0.3
74.06059	0.9
79.05511	0.6
80.05012	0.3
81.03429	0.5
81.07059	0.3
82.06571	0.3
83.06091	0.6
83.75370	0.3
84.04491	4.5
84.07623	0.7
84.08131	12.3
85.02873	0.8
85.08447	0.5
86.06115	0.5
86.09693	100.0
87.04433	0.6
87.05560	0.9
87.10015	1.6
88.03983	1.2
91.05466	1.2
93.07051	0.7
95.04975	0.7
95.06093	0.4
96.08115	0.4
97.06519	0.8
98.06055	0.6
101.05998	0.3
101.07171	0.5
101.10778	0.4
102.04788	0.5
102.05531	3.2
103.05458	0.9
104.05310	0.8
104.17098	0.3
105.07027	0.8
106.05021	0.3
107.04925	0.4
107.08589	1.0
108.04456	0.6
109.10107	0.4
110.07167	3.3
112.07565	0.3
112.08715	1.3
113.07154	0.8
115.08678	2.3
116.04932	0.3
116.07069	2.1
116.07803	0.3
117.06982	0.4
118.06895	1.5
119.04936	0.7
119.08607	0.3
120.08100	4.1
121.08440	0.3
123.04409	0.4
123.08067	0.4
125.06055	0.3
125.07056	0.3
127.07558	1.1
127.08672	0.4
129.10225	7.8
130.04144	0.6
130.05003	1.2
130.06512	1.1
130.08589	0.5
131.04889	0.7
132.10143	0.5
133.06244	0.4
133.10106	0.6
135.08000	0.7
136.07556	0.6
137.05957	3.1
138.06302	1.6
141.09175	0.4
141.10236	0.4
143.08174	1.6
143.11751	2.5
144.04454	0.4
144.06567	1.3
146.06102	0.7
147.04408	1.7
147.07619	2.8
147.11272	0.7
148.04837	0.4
148.06050	0.3
149.05983	1.0
149.09633	0.9
151.07559	0.3
152.06943	0.4
153.05443	0.5
153.09091	0.5
155.07042	0.5
156.07698	0.6
157.13338	13.7
158.03725	0.4
159.09219	1.2
159.11385	0.3
161.06000	1.0
162.05574	0.4
162.07770	2.4
163.07664	0.5
165.05472	0.7
167.08231	0.3
168.06544	0.4
170.06023	0.5
171.11241	1.9
172.03909	2.2
173.06012	0.6
175.11900	0.8
177.05461	1.1
179.07011	0.7
180.07430	1.0
183.06517	0.4
183.14926	0.4
184.15244	0.3
185.12830	17.2
185.16428	2.8
187.03415	0.3
188.07069	0.5
189.12317	24.8
190.12679	0.4
197.12793	1.5
199.18068	1.2
201.05466	3.3
201.12318	0.6
203.13954	1.0
204.02930	0.4
204.06546	2.8
205.06551	0.4
211.00592	0.3
213.16010	1.1
217.11873	0.4
219.06561	0.8
220.17133	0.3
227.17654	0.4
230.13120	0.3
231.16975	1.8
238.17953	0.8
242.14993	1.2
242.18716	0.5
253.19136	1.2
258.12524	0.5
259.12906	0.9
260.13190	1.3
260.16107	2.5
260.18549	0.3
260.19449	0.3
261.14200	0.3
265.08759	0.5
271.12231	0.8
274.18762	0.5
285.13586	0.3
293.07895	0.4
298.21237	2.1
300.68634	0.3
302.16473	0.4
304.16248	0.5
307.09583	0.8
324.07983	0.4
325.10825	1.2
341.10205	2.9
348.39258	0.3
355.11740	0.3
373.13095	1.0
373.18402	2.2
373.24832	1.0
373.28165	1.3
373.71768	0.3
374.25638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01861	0.9
55.05500	4.5
56.04786	0.6
56.05032	7.2
57.03439	0.5
57.05805	0.6
58.06590	4.0
58.52147	0.5
60.04514	4.2
60.05624	1.6
61.01121	0.9
65.03957	0.8
67.05503	5.3
68.05009	1.7
69.03419	0.7
69.07056	3.9
70.02943	0.8
70.06584	54.7
71.04977	1.2
71.06908	1.8
71.68834	0.9
72.08146	41.1
73.08476	0.8
74.02454	0.6
74.05721	0.6
74.06076	8.6
74.76127	0.5
75.05567	0.6
76.03965	1.5
79.05485	2.0
80.05010	2.9
81.07046	3.3
82.06560	2.7
83.06084	2.0
84.04501	16.8
84.08133	32.8
85.02890	2.3
85.06517	1.2
85.08463	0.9
86.06063	3.5
86.09694	64.9
87.05613	2.6
87.10025	1.7
88.03986	3.0
90.05536	1.1
91.05471	2.0
93.07040	1.9
94.06546	1.9
95.04939	0.7
95.06063	0.9
95.08607	2.0
96.04488	1.0
96.08107	2.0
97.02899	1.0
97.07677	0.5
97.10156	0.5
98.06045	1.2
99.05551	0.6
100.07596	0.8
101.07117	2.2
101.10770	1.0
102.05537	6.8
104.05309	0.9
105.07015	1.4
106.05026	0.7
106.06525	4.0
107.04913	1.2
107.07398	2.7
107.08582	2.7
108.08099	1.9
109.06496	0.7
110.06017	1.1
110.07153	8.7
110.09677	0.8
111.09171	0.7
112.07601	1.1
112.08716	2.8
113.07143	1.2
114.05559	0.7
115.08672	1.9
116.07078	3.8
117.03365	1.0
119.04920	1.7
120.06596	4.7
120.08083	6.1
123.04330	0.5
123.08114	0.8
124.03903	0.7
124.07587	0.9
124.11180	3.3
125.07079	0.8
125.09592	0.8
126.05468	0.8
127.08682	1.5
128.07062	0.6
128.10721	0.6
129.10228	16.6
130.04997	6.8
130.08630	1.6
130.10571	1.1
131.11777	1.0
132.08084	1.3
134.04488	1.8
134.09639	1.2
135.04359	0.7
135.08064	1.2
136.06248	0.4
136.06558	0.5
136.07561	4.3
137.05923	1.3
138.06604	0.6
138.09131	1.0
139.08627	1.0
140.08206	0.6
141.10194	0.6
143.11774	1.7
144.04747	1.2
144.10243	1.2
145.02867	2.8
145.10103	0.6
146.06007	0.9
147.04416	3.7
147.07616	10.8
147.11298	1.6
148.06035	1.3
149.06058	0.9
150.09138	0.9
152.07054	0.5
152.14297	0.7
155.08154	1.4
157.09700	2.2
157.10860	0.6
157.13336	1.1
158.09326	0.7
159.07712	0.6
159.09119	0.6
161.05919	0.6
161.09248	1.7
161.12872	0.9
162.06645	0.6
162.12709	0.5
163.03886	1.5
164.07074	1.0
169.09734	0.7
170.11786	2.2
171.07616	0.5
171.11281	0.9
171.14905	7.3
173.09206	6.7
173.12881	1.9
174.05504	0.7
175.10681	4.6
175.11636	0.8
175.12067	1.1
177.05431	5.9
178.08595	0.8
180.17403	0.8
181.09625	0.6
183.11357	0.5
183.14940	1.2
185.09210	2.0
185.16397	1.5
188.07106	1.0
189.12352	0.9
190.15875	2.7
192.13861	1.0
194.08121	0.7
195.06429	2.5
195.11227	0.7
197.12825	0.8
199.09367	0.7
199.14357	5.5
199.17987	4.6
200.14320	1.0
201.05428	2.2
201.12451	0.8
203.10223	7.2
204.06538	0.8
206.08063	0.8
206.15384	2.7
208.16959	4.5
213.15944	0.8
215.13835	0.6
216.06538	0.9
217.11867	0.7
218.15382	12.3
222.12279	1.2
224.16367	0.5
226.18001	0.7
227.17522	2.8
234.07549	0.9
236.16440	14.5
237.16866	0.7
239.14989	1.1
240.13486	2.0
240.18649	0.6
242.04626	0.6
253.18980	0.7
254.17488	16.9
255.17981	0.7
257.19519	0.7
258.19687	0.6
259.07083	1.1
260.16061	1.5
270.97870	0.5
272.18530	9.8
276.16495	0.6
277.08170	0.9
278.06543	0.7
292.69202	0.9
293.22186	1.7
298.21240	0.8
307.09735	0.6
311.19766	0.6
311.23236	10.9
312.23703	0.5
325.10800	1.4
329.20700	2.3
337.10400	1.1
337.21487	0.6
341.10330	1.0
355.06921	0.6
355.11490	1.3
355.18091	0.8
355.22275	5.6
373.12918	5.5
373.23267	100.0
373.69830	1.7
374.12622	0.9
374.23938	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	372.9717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79483	2.1
62.58350	2.1
70.06587	17.4
71.53354	4.0
84.04484	4.0
84.08128	6.8
86.06076	2.3
91.05804	2.8
94.93000	22.1
110.71592	2.7
120.94548	8.1
129.10268	7.0
144.36357	2.1
148.93977	3.6
150.44444	2.1
173.18842	2.0
180.13103	2.1
192.91341	4.9
192.93001	63.0
210.94078	7.8
215.08884	2.3
245.11470	3.0
256.96094	100.0
257.96451	2.7
338.78519	2.2
372.97183	59.9
373.02069	3.4
373.11786	3.2
373.21295	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	373.1277
Annotation	Tangeritin
Peak:m/z	Relative Intensity
60.90971	0.3
67.22720	0.4
69.03374	0.4
69.07029	0.6
70.06541	1.0
70.95291	0.6
70.95627	0.6
79.05463	0.7
81.07028	0.4
84.04465	0.4
84.08121	0.5
85.06502	0.6
95.08579	0.7
98.20897	0.4
111.08016	1.6
119.08619	0.4
127.03873	1.0
133.06471	1.7
135.04388	4.1
137.02277	0.5
145.10030	0.6
168.00517	0.4
183.02867	8.6
186.01611	0.8
193.01381	0.4
194.84192	0.4
211.02376	6.8
214.06261	0.4
216.07799	0.7
227.07014	1.2
228.04198	1.6
229.03214	1.8
235.18645	0.4
238.17975	0.5
240.19543	0.8
242.05794	0.6
244.07173	0.8
246.05247	0.4
247.06033	0.5
254.05649	0.4
268.06989	0.4
269.08002	1.6
271.05981	6.7
272.06613	1.3
282.05304	1.9
282.77469	0.4
283.05927	2.0
285.03928	1.7
285.07220	0.6
297.07553	9.3
299.05490	3.6
300.06244	7.5
301.06775	0.5
309.07739	0.5
311.09100	0.9
313.07037	0.9
315.05121	0.7
315.08566	3.4
325.07004	5.8
327.08643	1.5
328.05746	6.3
328.09286	0.5
329.06094	0.4
329.10150	0.8
339.08597	0.4
343.08090	85.5
344.08340	4.5
357.09518	0.6
358.10413	8.6
359.10736	0.7
373.12784	100.0
373.76901	0.6
374.13190	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	372.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
54.68609	0.3
55.01868	0.6
55.05495	1.8
56.05019	0.6
57.07039	0.4
58.06583	0.6
58.57204	0.3
60.04515	1.8
67.05492	1.7
69.03430	0.5
69.07059	6.3
70.06583	7.4
71.04964	0.5
72.08138	2.2
72.08485	0.3
79.05482	1.4
80.05016	0.4
81.03386	0.4
81.07047	3.0
82.06561	0.5
83.04953	0.8
83.08608	0.5
84.04501	0.7
84.08128	2.9
85.02885	0.9
86.09692	100.0
87.10037	1.1
88.04007	0.8
91.05414	1.8
93.07016	1.8
94.06553	0.5
95.04953	0.9
95.08588	1.5
96.08123	1.0
97.02855	0.4
97.06512	0.5
98.06041	0.4
105.07011	1.5
106.05033	0.9
107.04953	0.4
107.08567	1.5
108.08083	0.8
109.06496	0.6
109.10147	0.9
109.55099	0.3
110.07148	0.8
111.08051	1.7
112.08700	0.4
117.07026	0.4
118.06866	0.5
119.08579	0.8
120.08096	1.9
120.08881	0.3
121.10116	1.0
122.09737	0.8
129.10252	1.3
131.08533	0.7
132.08092	0.4
133.10100	0.7
135.08043	0.5
135.11707	0.5
137.05968	0.7
137.09589	0.3
143.08492	0.5
145.10106	0.6
146.11740	15.5
159.07968	0.4
169.10132	0.4
188.03464	1.3
199.18036	27.0
200.18375	0.8
220.16937	1.9
221.17366	0.6
222.18549	1.0
227.17499	20.3
228.17708	0.5
238.18002	6.4
239.11795	0.6
239.18643	1.9
240.19556	4.7
241.19975	0.6
244.18040	1.0
245.18733	0.3
246.18268	0.3
253.09781	0.4
256.19141	1.0
259.20148	5.5
261.22147	0.3
267.11325	0.7
274.12405	0.4
282.10031	0.4
308.22208	0.4
313.11743	2.1
329.11130	0.4
336.21735	0.4
354.22806	1.3
371.57745	0.5
371.77209	2.7
371.91583	0.6
372.27533	1.2
372.58231	0.4
372.71213	0.5
372.78036	2.1
373.13876	5.7
373.19016	0.5
373.20694	0.6
373.24777	0.7
395.54739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07445	0.4
55.01844	0.7
55.05489	1.4
55.49462	0.4
55.96633	0.4
56.05021	2.2
57.03418	0.4
58.06588	0.5
60.04522	2.1
60.05632	1.1
60.46667	0.5
65.03903	0.8
67.05479	0.6
69.03444	1.0
69.07044	1.1
69.63875	3.2
70.06580	48.9
71.04995	1.0
71.06926	1.1
72.08142	8.2
73.04738	0.9
74.06059	2.3
80.05006	0.5
81.03407	0.6
82.06541	0.5
83.04976	0.5
83.06087	1.1
84.04488	8.9
84.08128	18.8
85.02889	1.4
85.08469	1.2
86.05993	0.6
86.09692	9.3
87.05580	2.0
87.10011	0.7
88.03963	1.5
89.03900	0.8
91.05458	100.0
92.05721	3.0
93.04500	0.7
94.06554	0.9
95.04984	0.4
95.06084	1.0
96.04473	1.2
96.08098	0.6
97.02885	2.9
98.06012	0.9
99.05535	0.7
101.07152	0.7
101.10767	0.6
102.05515	2.3
106.02905	0.5
106.05035	0.7
106.06535	11.7
108.08099	45.8
109.02859	0.5
109.08440	1.1
110.06005	0.6
110.07154	7.8
111.09212	0.5
112.07591	3.6
112.08703	2.4
113.07104	1.0
115.08652	1.9
116.07074	2.0
118.06554	0.5
120.06599	0.5
120.08032	0.9
122.07124	1.2
123.04561	0.7
123.05540	8.5
124.03920	0.5
124.07571	4.9
127.08671	1.6
129.06508	0.5
129.10213	12.5
130.04964	1.9
130.08609	1.5
134.09633	0.6
135.04379	1.3
136.06158	12.1
136.07532	0.7
137.06602	0.7
137.07933	0.5
139.08592	0.9
141.06622	1.0
141.10231	1.3
143.11737	0.5
144.06590	0.6
145.02748	0.8
146.05946	0.5
147.04367	0.6
147.06471	0.7
147.07645	1.3
147.11253	0.8
148.05992	0.7
150.05400	0.6
155.08095	0.9
155.11827	0.9
156.07617	0.5
157.09659	0.7
158.09244	1.1
163.03880	5.7
164.07059	1.1
166.76158	0.4
169.09688	0.5
171.00842	1.8
172.10954	0.5
173.09203	1.2
175.10654	0.8
175.11984	1.0
181.09679	0.6
186.12370	0.6
187.10751	9.2
197.12854	1.0
199.10760	1.2
201.01978	0.6
203.10205	3.2
210.09439	0.7
210.11279	0.9
215.13719	0.5
226.15439	1.7
240.13283	0.7
244.12999	0.9
256.19073	1.1
257.19360	0.5
258.14441	0.8
264.06665	0.6
268.97656	0.5
269.98001	0.6
274.18613	0.5
280.15271	0.5
285.01135	0.5
286.00800	1.2
294.07681	1.0
312.08640	1.8
354.11868	0.7
354.21899	0.5
355.15683	0.5
355.20187	0.7
356.07059	1.7
372.12665	3.6
372.19214	0.9
372.23499	3.1
372.71680	0.6
373.12320	1.2
373.20224	5.2
373.25558	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03948	0.4
55.01860	0.9
55.05502	3.2
56.05032	0.8
57.03423	1.5
57.07064	1.6
59.05000	0.7
60.04510	0.6
67.05496	2.7
69.03420	15.7
69.07062	4.0
70.06582	10.7
70.81020	1.4
71.04981	0.5
71.91202	0.4
72.08144	4.7
72.24834	0.5
72.28938	0.4
79.05486	1.7
81.03388	0.9
81.07040	4.8
83.04970	10.2
83.08605	1.3
84.04511	2.2
84.08140	3.4
85.02888	5.7
85.06522	3.1
86.09692	6.5
87.04442	0.9
89.06022	5.1
91.05424	2.5
93.07024	3.0
95.04964	1.6
95.08597	7.1
97.02895	2.8
97.06533	1.2
97.10125	0.7
99.04453	1.1
99.08087	1.1
99.92902	0.5
101.02350	0.5
102.05534	1.4
102.62055	0.5
105.06992	3.6
107.08585	13.1
108.08907	0.5
109.02856	0.6
109.06505	6.3
109.10136	2.3
110.07146	1.9
110.07882	0.4
111.08062	8.6
117.07049	0.9
119.08570	4.2
120.08081	1.8
121.06512	1.5
121.10127	10.3
123.08031	4.1
123.11697	3.0
125.09612	26.8
127.03893	4.1
129.10207	2.0
130.04999	0.6
131.08528	5.5
133.08604	2.4
133.10104	8.3
134.10474	0.5
135.08037	18.1
135.11667	5.3
136.07530	0.6
136.08661	0.5
137.05963	1.3
137.09605	1.1
143.08556	1.4
145.04984	0.6
145.10078	3.7
147.07619	1.8
147.11630	2.9
149.06000	0.6
149.09599	14.3
149.13243	4.5
150.10417	2.3
151.11143	2.0
153.09079	8.0
155.08092	0.7
158.10881	4.3
158.50978	0.4
159.08038	0.6
161.09555	1.3
163.11166	6.9
163.14806	4.8
165.12733	1.8
167.10672	2.8
173.13243	20.9
174.13582	1.0
176.11943	3.1
177.11171	0.6
191.14282	92.7
192.14619	4.5
193.08549	0.7
209.15340	100.0
210.11250	1.1
210.15691	5.1
220.16882	0.6
233.15218	0.6
353.19678	4.6
371.20544	31.6
372.20746	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	371.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05502	4.0
56.05033	4.2
57.03426	0.8
57.07057	0.6
58.06597	1.2
59.04990	1.0
60.04518	2.4
60.05639	2.0
67.05486	1.8
68.05025	1.5
68.65902	0.5
69.03415	1.4
69.07049	5.4
70.02948	0.8
70.06581	75.2
71.04996	0.8
71.06915	2.1
71.76201	0.9
72.08147	12.2
73.04755	0.9
74.02436	1.4
74.06073	2.1
76.03982	0.7
79.05473	2.2
80.04997	0.6
81.03397	0.8
81.07037	3.4
82.06575	1.8
83.04972	1.2
83.06084	1.4
83.08594	0.9
84.04494	16.6
84.07619	1.2
84.08133	24.6
85.02888	2.1
85.06547	1.0
85.08461	0.9
86.06057	0.9
86.09695	25.0
87.05583	1.7
87.10028	0.6
88.03985	4.3
89.06030	3.1
90.05534	1.1
91.05857	6.4
93.04507	0.8
93.07040	3.5
94.06571	3.2
95.04940	0.7
95.06068	0.8
95.07384	0.7
95.08596	1.9
96.04491	0.5
96.08115	3.0
97.02873	1.9
97.06530	0.6
98.06043	2.0
101.05979	0.9
101.07129	2.4
101.10774	0.6
102.05520	3.9
103.05447	0.5
105.01840	0.7
105.07014	1.6
106.06535	3.6
107.07346	3.0
107.08559	2.2
108.08125	4.5
109.06521	1.0
109.08920	0.9
109.10139	1.5
110.05984	0.7
110.07143	8.8
110.08898	0.5
110.09663	2.0
111.04449	0.8
111.07458	1.1
111.09193	0.5
112.07612	0.8
112.08704	2.0
113.07100	0.9
115.08681	1.6
116.03407	0.7
116.07087	2.3
119.04936	0.7
119.08572	1.5
120.06661	0.6
120.08106	4.9
121.10130	0.7
122.05962	0.8
122.07175	0.5
122.09639	3.6
123.04387	1.1
124.07604	0.7
124.11182	0.6
125.07066	0.6
127.03896	1.3
127.08659	1.2
129.05476	1.1
129.06581	1.2
129.10228	9.7
129.11183	0.6
130.04990	7.9
130.08594	2.6
133.08675	0.9
133.10104	1.2
134.04430	2.0
134.09605	1.2
135.04419	0.9
135.11673	0.7
136.07541	2.5
136.59219	0.6
137.05966	0.7
138.09113	0.8
141.06564	0.9
141.09151	0.8
141.10197	6.3
142.06445	0.6
143.08232	0.5
144.10173	1.0
145.02856	0.7
145.10043	0.9
147.04428	3.7
147.06473	1.5
147.07640	6.6
147.11276	1.3
148.05963	1.0
151.09641	2.7
152.07030	2.9
153.05452	6.4
153.06569	0.8
155.08156	0.8
156.07687	1.2
157.09671	0.7
157.13354	2.1
159.09163	0.9
161.12862	1.0
163.03886	6.8
164.07028	0.6
168.06520	0.5
169.09718	5.6
169.13335	2.1
170.08110	2.5
170.09679	1.8
173.09174	0.7
174.12662	0.6
175.11911	1.9
176.14320	0.7
179.11710	1.2
181.09790	0.6
182.07890	0.5
183.14876	2.1
185.12875	1.6
187.10757	7.9
190.15973	0.5
191.14255	0.7
192.17447	0.7
194.02069	1.5
195.06386	1.0
195.11238	1.3
197.12825	3.7
198.09081	3.4
199.06943	0.6
201.12302	1.5
202.15843	1.5
203.03339	1.5
203.13890	1.6
208.14690	0.6
209.04367	4.0
209.13788	2.5
209.15524	0.8
211.14293	1.3
218.15326	1.2
219.18466	1.9
220.16948	29.0
221.17137	2.7
223.15636	0.6
225.17050	0.8
226.15367	0.6
237.19629	4.3
238.17978	31.9
239.18318	2.7
240.13370	1.3
243.11288	0.6
244.16811	0.5
255.20695	3.0
256.19019	23.9
257.19388	1.3
258.14505	0.8
261.03961	0.5
268.97726	1.9
281.22177	1.5
282.18015	2.0
284.05939	0.5
285.00806	1.6
291.74268	0.6
300.19073	1.7
335.68469	1.8
353.21051	3.2
354.21127	3.1
355.06876	2.6
356.06412	0.7
370.73761	0.5
371.21667	100.0
371.88147	0.8
372.15646	0.9
372.22232	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	371.2058
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03924	1.6
55.01857	1.1
55.05497	1.6
57.03437	2.4
57.07064	0.8
57.81408	0.4
59.04979	0.7
59.30637	0.3
59.45905	0.3
61.02922	3.7
67.05486	1.9
69.03422	12.2
69.07069	2.1
69.22347	0.4
69.75858	0.4
70.06595	3.2
71.04977	1.3
71.75562	0.6
72.08134	1.0
73.02901	1.5
74.06063	0.4
76.86526	0.3
79.05483	1.5
79.90620	0.4
81.03407	8.0
81.07042	3.7
83.01326	0.5
83.04979	2.3
83.08599	0.4
84.04510	0.7
84.08121	1.5
85.02895	30.0
86.09684	1.5
87.04439	1.6
88.04002	0.3
91.03935	1.8
91.05460	1.5
93.07066	2.2
95.04953	2.6
95.08584	3.9
97.02881	8.5
97.06532	0.7
99.04437	1.7
99.08080	1.1
105.07026	2.9
106.40943	0.5
107.04906	0.4
107.08581	5.5
109.02875	2.4
109.06495	5.4
109.10120	2.8
110.07217	0.4
111.08064	0.4
119.08575	2.1
120.08096	2.6
121.06470	0.7
121.08363	0.4
121.10135	7.8
122.07207	0.6
122.09604	0.4
123.08060	4.6
123.11682	2.6
127.03900	6.4
131.08539	1.0
133.10117	2.0
135.08022	1.3
135.11670	0.5
137.05936	0.6
137.09590	6.3
137.13222	1.2
145.04947	8.1
145.10114	0.7
147.11656	1.4
149.09599	5.9
149.13239	4.6
151.11168	27.2
152.11441	0.9
158.10832	0.5
163.06041	0.5
165.12733	38.5
166.08636	0.7
166.13045	1.3
167.06934	0.5
173.13197	1.2
174.78313	0.4
184.01810	0.5
191.14288	5.2
193.15839	3.2
209.15341	100.0
210.15669	3.6
220.16954	1.2
238.17969	1.8
239.18665	0.5
240.19539	1.1
244.17987	0.5
247.18544	1.1
255.10507	0.4
256.19073	0.6
370.91388	0.5
371.20795	0.6
371.77063	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	371.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05499	7.0
56.05020	2.0
67.05489	5.4
69.03424	7.2
69.07065	4.9
70.06577	23.2
70.75469	4.4
70.75841	1.9
71.04968	1.9
72.08137	2.7
73.20216	1.4
74.06033	1.6
77.27327	1.7
79.05470	6.9
81.07035	12.2
82.06550	2.2
83.04976	2.5
84.04508	3.6
84.08118	6.8
85.02887	7.0
86.09681	11.6
91.05471	7.1
93.07037	6.2
94.06528	2.2
95.08609	4.9
97.02850	1.6
103.05465	1.7
105.07005	9.9
107.04948	1.7
107.08567	19.8
108.08099	2.5
109.02830	2.7
109.06493	9.3
109.10124	8.8
117.06955	2.9
119.08588	3.2
120.08075	11.9
121.10144	9.6
122.02708	1.6
122.07256	3.8
123.08110	2.4
127.03926	2.9
129.10246	3.0
131.08545	2.8
133.10101	100.0
134.10454	3.6
135.08015	12.7
137.05917	5.3
137.08533	3.0
137.09589	61.8
137.10606	3.4
138.09927	2.0
145.10103	3.6
146.11734	2.7
147.11732	5.1
149.09584	1.9
149.13278	7.5
149.36354	1.6
161.06033	2.2
161.09608	1.7
163.11147	2.4
163.14841	2.7
167.07002	2.1
173.13252	8.5
174.76137	1.6
191.10611	3.1
191.14281	45.6
209.15315	5.9
217.08505	2.2
220.16937	6.6
222.18480	4.2
223.18680	1.7
238.17912	9.9
240.19440	7.7
241.19910	2.8
247.18542	3.7
256.19025	1.6
274.14001	2.0
280.16956	1.6
341.13788	2.8
362.76602	4.0
370.57767	12.0
370.71213	2.4
370.91513	2.7
371.14984	1.9
371.21780	3.6
371.77087	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01857	1.8
55.05500	3.7
56.05032	1.7
57.03437	1.9
57.07072	2.2
58.81660	0.4
59.04978	0.7
60.04508	0.9
61.01152	0.4
61.02913	0.7
65.03957	0.4
67.05496	2.7
69.03422	16.5
69.07057	4.9
70.06583	21.6
70.11752	1.0
70.12154	0.6
71.04980	0.8
71.06911	0.9
72.08145	8.4
73.02905	1.3
74.06079	1.1
79.05477	2.7
81.03416	1.9
81.07053	4.7
82.06588	0.4
83.04976	8.8
83.06067	0.5
83.08596	1.1
84.04499	3.9
84.08136	7.3
85.02898	6.8
85.03378	0.2
85.06544	2.7
85.08469	0.4
86.06065	0.8
86.09698	14.0
87.04460	0.5
87.05598	0.7
87.10004	0.5
88.03970	0.5
89.06018	5.2
91.05430	3.3
92.52354	0.4
93.07038	3.8
94.06528	0.4
95.04961	2.6
95.08598	7.6
96.08106	0.4
97.02875	2.8
97.06519	1.2
97.10153	0.3
98.06050	0.6
99.04431	1.8
99.08077	1.0
101.02350	0.6
101.07130	0.4
102.05524	2.7
103.05457	0.7
104.05267	0.8
105.07025	3.7
106.04972	0.4
107.04926	0.6
107.08578	15.1
109.02876	0.5
109.06505	7.3
109.10139	2.7
110.07160	3.7
111.04440	0.5
111.08079	7.9
112.08714	0.9
115.08632	0.5
116.07054	0.7
117.07000	0.5
119.04942	0.6
119.06015	0.4
119.08567	3.7
120.08102	3.8
121.06477	2.2
121.08424	0.5
121.10120	10.7
122.06039	0.7
123.08054	3.3
123.11677	2.5
124.07604	1.0
125.09614	25.5
126.09941	0.5
126.75047	0.4
127.03902	3.7
127.08660	0.9
129.06775	0.4
129.10223	4.1
130.05014	1.0
130.06477	0.6
130.08614	0.6
131.08537	5.4
132.10170	0.4
133.06412	0.5
133.08618	3.0
133.10114	8.1
135.08041	19.3
135.11667	5.0
136.07544	1.6
136.08647	0.7
136.38751	0.3
137.06013	2.8
137.09598	0.9
143.08525	1.1
143.11684	0.9
144.06534	0.5
144.09306	0.5
145.10098	3.2
147.04431	1.1
147.06612	0.5
147.07649	2.3
147.11687	2.6
149.09607	13.7
149.13234	4.4
150.10405	3.1
151.03941	0.5
151.11194	2.2
153.09088	9.0
155.08133	1.2
156.07614	0.5
158.10872	3.8
159.08096	0.5
161.05956	0.6
161.09567	1.8
163.07582	0.4
163.11156	6.6
163.14784	3.8
165.12735	1.5
167.07048	0.9
167.10667	2.8
169.13440	0.4
171.11571	0.8
173.09245	0.7
173.13234	21.3
174.13539	0.9
175.11967	0.5
176.11911	2.4
177.11252	0.6
179.07053	1.4
183.14961	0.5
187.07507	0.5
187.10846	0.7
191.14284	91.8
192.14641	3.7
197.12822	0.9
201.12241	0.5
209.15341	100.0
210.11255	1.2
210.15651	4.6
211.14400	0.6
213.08591	0.4
215.14127	0.4
220.16830	0.9
226.11775	0.4
238.18034	0.9
259.12799	0.9
323.06949	0.4
335.18143	0.5
353.19495	5.5
371.20541	32.5
371.72626	1.0
372.20871	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.01856	2.4
55.05500	2.9
56.05035	5.1
56.05261	0.9
57.03422	3.5
60.04511	4.2
60.05629	2.8
61.02901	3.1
67.05483	2.1
68.05017	1.4
69.03420	8.0
69.07038	2.8
70.02943	3.0
70.06579	100.0
71.04971	1.2
71.06912	2.5
71.62747	1.5
72.08145	12.7
72.93772	2.5
73.02903	3.1
73.04733	3.9
74.00655	2.3
74.02431	8.4
74.06064	3.1
74.74979	0.9
76.03993	1.4
79.05481	1.2
81.03387	4.3
82.06578	2.9
83.06084	3.8
84.04491	30.6
84.08128	62.6
85.02892	29.6
85.04011	3.7
85.08469	1.6
86.09689	24.5
87.04415	1.2
87.05582	2.3
88.03967	4.9
88.77718	1.0
91.05842	14.0
92.01705	1.0
94.06551	60.7
95.04929	1.3
95.06068	1.6
96.04481	1.2
97.02880	18.3
98.06014	1.7
98.98420	1.1
99.00795	6.7
99.04436	1.8
100.07585	1.8
101.02301	1.1
101.06022	1.1
101.07117	2.5
101.10771	2.7
102.05494	5.0
104.04976	3.9
105.00054	2.0
105.03670	1.2
106.06544	2.5
107.04896	1.7
108.08098	1.3
109.02892	2.6
110.07153	28.3
111.07456	5.5
112.07588	3.9
112.08704	5.0
113.07113	2.0
114.05611	1.2
115.03912	1.3
115.08680	2.2
115.18167	1.2
116.03408	1.2
116.07060	5.3
117.05743	1.1
118.06511	16.3
119.01898	2.2
120.04441	21.0
120.08060	3.7
122.06045	1.1
122.07119	3.5
124.07563	5.9
127.03894	4.9
127.08655	19.4
128.07109	1.2
129.06612	3.1
129.10220	25.6
130.02829	1.7
130.04977	9.9
130.06520	2.9
130.08643	2.9
130.10567	1.4
132.04402	4.9
132.08044	4.1
132.95831	1.1
135.04388	2.3
136.06163	50.7
136.07545	31.9
137.05896	2.9
137.07872	1.6
140.08176	1.6
141.10216	2.9
142.08618	1.4
144.06546	1.5
144.08093	1.2
145.04939	2.7
146.05995	37.5
147.04372	4.8
147.06429	3.4
147.07623	10.5
147.11224	3.1
150.05472	29.9
150.06689	1.7
150.96815	1.3
151.05853	1.1
153.05437	1.5
155.08145	15.9
156.04436	1.7
156.07608	5.0
157.09744	1.4
157.10887	1.9
158.05952	1.4
158.09198	2.0
158.97408	1.3
160.07556	2.9
163.03845	10.5
163.08670	5.2
164.07039	3.8
169.09697	1.8
169.13341	2.7
170.05919	5.0
174.05463	17.8
175.11920	6.3
177.03186	1.2
177.51872	1.2
178.08598	2.5
179.11751	1.1
180.07913	1.2
183.14903	1.9
184.07509	3.5
187.10710	2.6
188.07036	2.1
190.04994	2.8
191.04774	1.6
192.06523	61.0
193.06877	2.2
195.11221	1.6
196.07574	3.9
197.12828	6.1
197.16457	2.2
198.05473	1.9
198.09206	2.2
199.10786	1.6
208.07423	2.5
209.09184	74.2
210.09540	2.1
212.07098	1.9
213.12277	1.7
214.08618	2.4
217.11807	3.1
218.04733	2.4
219.04999	1.7
220.16998	1.4
221.17300	1.6
222.12410	1.7
226.08620	2.0
234.07611	5.1
234.98985	3.0
236.05748	1.4
238.17969	1.7
240.06644	1.2
240.13516	5.7
251.10172	1.4
252.13319	1.8
256.12662	1.3
258.14346	1.9
262.10712	2.9
264.06586	1.3
268.97693	2.4
270.07663	6.5
272.57986	1.1
280.11847	1.9
285.00903	6.2
298.12723	2.0
300.08658	1.5
303.02042	1.3
311.06055	1.5
318.09622	8.3
335.12286	3.4
336.10645	6.4
343.24066	1.5
353.13260	2.4
353.21555	3.7
354.20856	4.0
355.06900	4.4
371.04114	2.0
371.08029	1.8
371.23737	35.4
372.24011	1.2
373.07742	1.3
375.03091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05500	1.9
56.05022	2.1
57.03423	0.9
58.06586	0.9
60.04505	1.2
61.01127	0.7
63.02350	0.9
67.05482	0.8
69.03403	1.1
69.07043	2.0
70.06584	54.7
71.08641	1.0
71.74534	0.9
72.08144	8.2
73.04751	1.8
74.06071	1.0
79.05466	2.5
81.03397	1.0
81.07051	1.1
83.06076	0.9
84.04499	6.0
84.08134	14.9
85.02892	2.2
86.09694	15.5
87.05563	0.8
88.03967	1.5
89.03907	3.4
89.05984	0.7
89.63282	0.6
91.05826	5.5
93.07010	0.8
94.06565	1.6
95.01324	2.0
95.08599	1.1
96.08112	1.4
97.02892	1.5
97.06521	0.7
98.06013	1.0
101.05992	1.0
101.07137	1.1
102.05521	2.5
105.07004	1.6
106.06531	0.7
107.04946	3.3
107.07281	1.1
108.08109	1.3
110.01070	0.7
110.06031	0.8
110.07150	5.4
111.04435	2.0
111.05563	0.7
112.08701	1.0
114.43365	0.7
114.83842	0.7
115.08667	1.1
116.07028	1.6
117.03355	5.0
120.08060	1.1
122.09612	1.3
123.04395	2.6
129.05428	0.9
129.06622	0.8
129.10248	6.3
130.04964	2.6
131.04935	1.3
135.04396	16.8
136.07562	1.7
137.02328	0.8
138.03111	2.5
139.03918	3.3
141.01820	1.2
141.10208	5.6
145.02817	9.9
147.04405	7.5
147.06514	1.4
147.07623	2.4
149.02299	2.0
149.06018	1.0
153.05447	89.5
154.05789	1.2
159.04420	2.1
163.03882	100.0
164.04222	2.4
169.09741	5.8
169.13402	4.0
173.06050	0.9
173.09282	0.8
175.03896	1.5
175.11952	1.5
177.01810	2.9
177.03998	1.4
177.05403	1.6
181.04922	3.1
183.14882	3.3
187.03891	3.0
187.10753	1.8
189.05502	1.2
195.06509	27.4
195.11328	0.9
197.12811	2.5
198.09155	1.2
201.12300	1.2
203.03369	36.8
203.13878	0.8
205.04889	3.8
209.13939	0.9
215.03348	6.7
219.02965	1.0
220.16965	7.0
221.04344	1.1
221.17238	3.6
222.12328	0.9
229.04985	1.3
230.11287	1.7
231.02864	4.8
233.04375	3.4
237.19647	1.7
238.17972	7.9
238.20023	1.4
239.18221	4.0
255.20729	1.1
256.18890	5.6
256.21423	1.1
257.19385	1.5
258.14368	1.1
261.03876	5.8
268.97821	1.6
272.16068	1.6
275.05518	2.1
279.04959	13.5
282.18103	2.5
282.22528	1.7
285.00851	2.9
291.04965	7.2
300.19089	2.2
303.05017	1.6
321.05960	3.0
331.43234	0.7
339.07059	12.8
353.20740	2.1
354.21005	7.5
355.06937	2.3
370.23215	0.9
371.22516	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	370.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49444	0.4
55.05504	2.1
56.42048	0.5
58.06581	1.3
63.00967	0.4
63.45070	0.4
67.05477	1.8
68.05021	0.5
69.07059	2.6
70.02931	0.7
70.06580	7.6
71.03433	1.0
72.04508	1.0
72.08130	0.9
73.04712	0.5
74.02422	0.6
79.05489	2.1
79.05869	0.4
81.07027	1.9
82.06559	1.5
83.08560	0.5
84.08121	1.0
87.05579	4.3
91.05425	0.8
93.07036	2.1
94.06554	2.4
95.08580	1.5
96.08121	3.0
105.07024	0.7
107.07322	2.9
107.08587	1.2
108.08108	3.8
109.08929	0.9
110.07142	0.6
110.09659	1.1
110.22510	0.5
112.07564	0.5
113.61288	0.4
116.03441	0.7
117.07004	0.7
119.08552	1.3
120.08071	2.1
122.09647	4.3
124.11194	0.6
133.06064	3.6
134.09637	1.1
136.11188	0.5
138.12756	1.0
145.10081	0.7
147.04407	0.5
163.03867	0.6
175.17815	0.4
176.14256	0.9
190.15953	0.6
192.17522	1.4
194.15440	0.7
196.17014	0.5
202.15892	1.9
204.17419	0.6
208.17012	0.8
218.15378	1.2
219.18549	6.4
220.16937	25.2
221.17308	1.0
222.18567	0.9
237.19594	16.2
238.17976	32.3
239.18343	1.3
247.21675	2.7
255.20631	10.4
256.19022	16.5
263.21078	1.4
265.22675	6.8
270.98462	0.5
281.22195	12.2
282.22531	0.8
309.21631	1.2
331.30460	0.5
335.19608	1.9
353.20663	51.8
354.20926	2.5
370.23322	100.0
371.04193	0.6
371.23560	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	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78241	0.5
54.58529	0.5
55.01866	0.7
56.05028	1.4
56.62798	0.5
57.03424	1.5
58.06583	1.2
60.04493	1.0
60.05634	0.9
61.02897	0.7
67.05464	0.5
69.03425	4.6
69.07056	1.6
70.04708	1.8
70.05118	1.2
70.06579	16.1
72.07796	0.6
72.08141	3.3
73.02895	0.6
73.04758	0.6
74.06072	1.3
74.19580	0.6
79.05491	0.6
81.04519	1.7
82.06561	1.1
83.06117	2.8
84.04494	3.6
84.07636	0.7
84.08129	11.1
85.02884	7.7
86.03249	0.8
86.09692	100.0
87.05590	1.0
87.09995	1.3
91.05802	0.6
93.04519	1.9
93.59073	0.5
93.65636	0.5
94.06549	1.0
95.06076	1.4
97.02867	5.7
98.06033	0.5
99.04452	0.9
100.07606	3.4
101.07153	0.8
102.05537	1.5
110.07147	31.4
111.07528	0.7
112.08696	1.5
115.02129	1.4
115.03870	0.8
115.08626	0.7
116.07064	0.6
117.10243	0.9
119.01843	0.7
120.08085	0.5
122.05972	0.6
122.06260	0.7
122.07139	7.0
127.03899	3.7
127.08646	2.3
129.10231	3.6
130.04979	0.7
131.01863	1.0
132.10179	78.2
132.95808	1.1
133.06061	1.0
133.10497	1.5
135.04375	1.3
136.06152	14.2
136.07545	1.9
138.05519	0.5
138.06589	1.3
139.09731	0.5
145.04915	3.0
147.04366	0.7
150.05479	8.5
150.06651	0.7
152.14380	0.5
155.01843	0.5
155.08070	1.8
156.07661	7.1
157.08015	0.6
158.97343	0.5
161.02876	0.8
163.02657	0.6
163.03860	3.0
164.04163	0.8
167.09242	1.1
169.09676	0.8
173.02843	0.7
174.96823	1.8
175.11877	0.8
177.00874	0.9
177.06500	0.5
178.04884	0.8
178.13339	2.4
179.05293	0.7
186.96883	0.8
187.14389	0.7
198.96878	1.1
208.08353	1.2
209.09142	3.1
209.13982	1.0
216.97839	0.7
219.01976	2.0
220.10873	0.7
220.16920	1.5
223.15565	2.7
229.00333	0.7
233.03445	0.6
234.98993	1.9
236.05893	0.8
237.13416	0.7
238.17957	1.3
245.05008	0.9
251.15030	3.9
256.00711	1.5
256.19003	0.7
274.01764	2.8
277.00082	3.6
295.01001	1.2
302.00537	0.6
307.01004	1.3
328.18082	0.6
331.69638	0.6
332.67688	0.6
342.56528	0.5
347.04251	0.7
352.19894	0.7
353.20404	1.6
365.05447	0.8
370.15216	2.6
370.23636	5.1
370.72562	1.5
371.23407	1.5
388.05145	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	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66991	1.3
53.03929	4.8
55.01862	6.8
55.05496	6.2
56.05019	8.4
57.03419	6.6
60.04526	9.6
61.02921	8.3
67.05491	4.2
68.05013	1.9
68.99768	3.1
69.03420	46.4
69.06708	2.4
69.07060	28.4
70.06581	91.9
71.04976	8.0
71.06911	5.0
71.48460	3.1
71.48814	2.3
72.08145	31.9
73.02905	3.0
74.00629	1.7
74.02439	1.5
74.06055	5.1
79.05476	4.1
81.03405	30.8
83.04956	1.9
83.06107	3.7
84.04488	32.2
84.07620	1.9
84.08129	47.1
85.02892	100.0
85.08477	2.0
86.09694	53.8
87.00818	56.3
87.05573	1.7
87.08108	11.8
88.03974	3.9
90.05544	3.3
91.03931	1.6
91.05458	6.0
93.04466	2.2
93.07036	2.9
94.23933	1.6
95.04959	1.5
95.06071	3.1
95.08586	1.5
97.02877	31.9
98.06019	2.7
99.04440	12.5
100.03417	1.5
101.07131	1.8
102.05512	8.9
103.03947	1.6
103.04778	1.3
103.05459	6.0
104.05332	1.8
105.01854	66.8
105.02561	3.5
106.04995	1.5
107.04989	3.7
107.08597	1.6
109.02865	29.6
110.07153	42.6
111.04433	2.6
111.41026	1.5
112.07628	2.4
112.08721	5.8
113.07146	1.5
115.03892	1.8
115.07529	8.5
115.08707	8.0
116.07074	5.7
116.07832	1.8
117.03375	2.7
117.06565	1.8
118.70290	1.4
119.04931	4.6
120.08083	32.2
121.08411	3.7
122.09647	1.6
123.04453	1.4
126.05473	2.7
127.03897	87.8
127.08648	2.3
128.04210	2.3
128.68256	1.4
129.01830	4.2
129.10231	21.8
130.04984	4.6
130.08600	2.2
131.04932	2.1
135.04427	9.4
136.07574	13.0
139.03838	2.2
141.06610	1.6
141.10143	1.9
143.08109	1.6
144.06557	5.9
145.02852	4.7
145.04959	18.9
145.06020	2.1
145.08562	2.1
147.02788	1.6
147.04378	10.3
147.07654	2.4
147.11250	3.1
150.05519	2.0
150.06683	1.6
153.05444	36.3
156.07669	13.0
159.02876	6.7
159.09201	2.5
161.09273	2.5
163.03885	47.9
164.07089	7.5
165.07437	3.6
166.06047	1.8
169.09770	1.8
169.13354	2.1
173.11732	2.4
175.11913	3.3
177.05432	2.4
182.08121	5.9
183.08406	3.9
183.11208	2.6
189.03941	2.1
195.06430	11.5
195.10153	5.8
197.12813	1.8
202.59877	2.4
203.03358	15.6
213.03929	3.5
213.11142	6.2
215.03316	3.7
220.17018	2.9
231.04988	29.1
249.05901	4.8
251.15024	2.0
257.16086	2.1
261.03909	2.5
267.15256	1.6
269.16058	1.7
273.13193	3.2
279.05048	3.5
291.05106	2.2
299.11163	8.7
317.12277	35.9
335.13333	4.4
339.07040	5.4
352.13980	1.9
370.14941	2.1
370.22079	12.0
370.71918	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.3
55.05504	28.2
57.03431	48.7
57.07069	7.7
61.74915	3.7
67.05499	77.4
69.07057	29.6
69.88300	25.1
70.06585	5.1
71.04977	6.7
72.08186	3.4
79.05483	68.1
81.07050	93.3
83.04982	7.0
83.08618	22.4
85.06538	10.8
91.05479	48.8
93.07036	100.0
93.07609	6.5
95.04964	13.2
95.08598	83.1
96.08110	5.0
97.06526	17.9
97.10170	18.8
98.20818	6.9
99.08104	8.3
105.07027	51.7
107.08582	78.0
109.06503	11.5
109.10143	40.9
111.08098	9.1
117.06972	19.8
119.08562	41.9
121.06473	3.9
121.10135	59.9
123.08040	9.3
123.11678	9.8
125.09602	9.2
127.05042	3.8
129.06993	5.1
131.07039	9.5
131.08566	29.9
133.10109	43.8
135.11682	44.7
137.09613	9.7
139.11150	4.0
143.08549	7.5
145.10133	33.3
147.11667	28.1
149.09608	6.4
149.13226	21.6
151.11125	4.0
157.10152	10.9
159.11661	24.6
161.13263	21.4
171.11700	12.0
173.13289	10.0
175.14798	14.8
183.05011	4.2
185.13278	9.0
187.14809	29.3
189.11067	6.5
191.10597	3.9
199.14748	5.8
201.16331	6.1
203.17873	5.7
205.15883	16.9
207.13870	4.6
209.11722	5.5
213.16364	4.3
219.17535	5.5
220.16969	7.0
221.18977	11.6
223.38574	4.0
237.11244	8.9
238.18076	4.7
241.19441	20.5
245.13739	4.2
246.67007	4.4
259.20554	52.2
277.21619	89.7
293.17413	13.5
295.22766	5.3
310.68759	4.0
328.62210	4.5
351.25290	93.6
359.67773	6.8
368.57047	5.3
368.90454	5.4
369.26831	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	369.2632
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03944	5.2
54.28488	2.1
55.01873	5.7
55.05501	31.7
57.03423	8.2
57.07072	6.1
67.05494	100.0
69.03409	5.0
69.07053	15.7
70.06575	5.6
71.08617	8.7
71.56145	2.3
71.60581	2.9
74.06055	3.1
79.05482	48.7
81.07043	57.2
83.04956	9.8
83.08606	18.9
85.06526	6.5
91.05467	23.7
93.07032	49.0
95.04983	6.2
95.08598	33.6
97.06530	6.9
97.10152	16.1
98.09634	3.2
99.08060	6.1
105.07007	26.7
107.08583	66.1
109.06512	5.6
109.10141	50.2
111.08103	3.7
117.07009	10.1
119.08580	17.5
121.10132	24.6
123.08078	4.0
123.11684	9.9
125.09598	15.8
126.82690	2.8
127.07465	2.5
131.08585	13.6
133.10117	20.2
135.11681	28.6
137.09578	2.9
143.08522	6.1
145.10107	9.4
147.11697	16.3
149.13191	11.9
151.11188	8.0
157.10036	3.5
159.11671	7.6
161.13264	11.2
163.11241	2.5
163.14755	3.7
165.12747	9.6
171.11682	5.8
173.11708	6.9
173.13292	8.3
175.14813	8.5
179.14323	10.6
181.04919	3.1
189.11212	13.4
189.12724	3.9
191.10626	2.9
191.14241	2.8
193.15862	4.0
199.14711	4.3
202.15868	2.3
207.17612	2.8
209.11794	5.7
213.16304	2.8
220.16995	2.8
227.12782	12.3
229.14250	3.9
237.11235	6.8
241.19543	8.6
245.13853	10.9
246.66968	4.1
259.20502	21.8
265.17282	2.6
277.21603	62.0
278.21982	3.8
293.17401	8.1
333.23834	3.1
351.25223	72.3
352.25659	2.9
368.56747	2.7
369.27151	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	369.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01864	4.3
55.05501	8.4
57.03421	4.1
58.06581	1.1
67.05489	8.5
67.67317	1.0
69.07062	7.3
69.67787	6.5
70.06589	7.6
71.04974	1.5
72.08133	2.0
78.09067	1.1
79.05476	7.4
79.38589	1.3
81.07047	28.3
82.06558	1.2
83.04971	2.8
83.08604	2.9
84.04505	1.7
84.08119	3.0
91.05473	6.2
93.07025	7.9
94.06538	1.6
95.04963	1.4
95.08588	9.7
97.06536	1.2
97.10141	1.3
98.20769	2.3
105.07020	5.2
105.84745	1.1
107.08583	5.8
108.08154	1.4
108.79083	1.2
109.06497	14.0
109.10156	5.0
110.07207	1.0
111.04424	17.0
111.08059	2.8
119.08528	4.9
120.08118	2.2
121.10133	5.2
122.09628	1.5
123.08073	2.2
123.11688	1.7
125.05970	6.5
131.08519	2.8
133.10141	6.1
135.08026	3.9
135.11662	4.8
136.07603	1.9
137.05957	100.0
137.09575	2.0
137.13243	2.6
138.06273	1.8
142.05333	1.1
143.08559	1.1
145.10133	2.0
147.08008	1.8
147.11641	7.3
149.09602	5.3
149.13210	1.5
151.07532	2.2
151.11234	2.3
157.09979	1.2
159.11655	2.0
161.09586	6.7
161.13266	2.9
163.11168	3.6
163.14799	1.4
165.09148	2.4
167.10614	1.2
170.99786	1.0
171.11734	1.4
175.11197	5.6
177.12717	1.4
179.10666	3.7
189.12646	1.3
193.12134	1.6
195.11748	1.4
200.30829	1.0
203.17929	6.4
213.16367	1.6
220.16940	3.0
221.19098	1.3
222.18488	1.9
223.14603	1.1
231.17366	9.3
238.17958	3.9
240.19649	5.6
241.15695	1.4
249.18474	13.9
277.17950	67.0
278.18259	2.8
295.18979	27.6
296.19464	1.4
310.68713	2.0
351.21667	14.5
359.67532	1.6
368.57193	4.9
368.90149	4.9
369.23328	11.3
369.57294	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	368.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
57.07059	0.5
57.98795	0.2
60.08150	0.5
65.03928	2.3
66.00259	0.2
67.05495	7.9
69.07054	1.7
69.62062	0.3
69.62471	1.1
71.08617	0.3
79.05477	2.1
81.07044	9.8
82.81270	0.1
83.08604	1.2
83.79824	0.2
85.97456	0.2
91.05466	100.0
92.05797	1.9
93.07021	2.4
95.08594	7.7
96.08945	0.2
97.06543	0.2
97.10162	0.4
105.07026	1.1
106.06539	7.3
107.08572	2.1
108.08099	16.2
109.08438	0.4
109.10139	3.9
111.11713	0.2
117.06973	1.1
119.08545	0.7
121.10115	1.8
123.11667	2.2
123.91737	0.2
126.09154	0.2
129.06963	0.9
131.08485	1.1
132.08098	0.2
133.10112	0.8
135.05867	0.2
135.11664	1.2
137.13240	0.7
141.06982	0.5
143.08546	0.6
145.10110	0.8
147.11664	0.9
149.13258	1.0
151.14745	0.3
155.08528	0.2
157.10085	0.5
159.11667	0.4
161.13269	0.4
163.11197	0.3
163.14816	0.6
169.10011	0.4
171.11670	0.2
173.13283	0.4
175.14777	0.4
176.10660	0.7
177.12704	0.3
177.16353	0.5
185.13217	0.3
187.14821	0.3
190.12233	0.8
201.16393	0.2
204.13783	0.9
205.15971	0.2
218.15369	0.9
230.15500	0.3
232.16925	1.4
243.21005	1.1
244.16972	0.5
246.18494	1.3
258.18561	0.4
260.20065	1.0
261.22067	1.4
270.18704	0.2
272.19992	0.5
274.21695	0.8
276.23196	0.4
284.19983	0.4
286.21613	0.7
288.23096	0.4
298.21750	0.3
302.24527	0.2
312.23254	0.4
351.26697	0.7
368.29440	8.8
368.42398	2.8
369.29681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2839
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01861	0.7
55.05503	11.3
57.03419	0.8
57.07068	4.8
67.05493	9.6
69.07061	17.7
69.55251	7.1
70.06577	1.4
71.04979	2.0
71.08621	12.0
79.05484	5.6
81.07047	19.6
83.04964	3.0
83.08611	9.1
85.06522	1.7
89.55391	0.8
91.05482	6.5
93.07037	9.8
94.06546	0.7
95.04955	1.8
95.08600	18.6
97.06517	2.8
97.10144	1.2
99.07497	1.2
99.08085	13.2
105.00336	0.8
105.07018	4.8
105.07590	0.8
107.08591	12.2
109.06503	6.2
109.10151	7.3
111.04438	2.3
111.08049	3.3
117.06985	1.7
119.08571	7.7
120.08109	0.8
121.06506	1.6
121.10131	5.1
122.07292	0.8
123.08052	24.8
123.11684	3.3
125.05982	2.7
125.09634	1.7
131.08542	2.5
133.10138	6.6
135.08043	5.0
135.11699	3.6
137.09596	1.8
137.13242	1.8
139.07541	1.9
145.10126	2.3
145.37108	0.8
147.11684	3.1
149.09631	1.8
149.13219	3.4
151.11140	1.8
153.05469	1.1
153.12747	5.7
159.11617	1.7
161.13248	2.3
163.11223	1.4
163.14818	2.0
165.12790	1.2
167.14270	1.6
173.13290	1.7
175.14816	1.4
177.12715	1.0
179.14291	32.9
181.12230	1.3
185.02257	0.8
189.16359	2.7
191.14301	2.8
193.15915	2.1
205.15892	1.1
220.16904	1.5
222.18488	1.9
238.17998	3.4
240.19540	2.9
241.19710	1.0
251.20056	10.1
256.19128	2.4
293.21075	10.0
293.28351	4.4
303.26807	10.8
306.96390	0.8
313.25363	1.1
321.27756	4.0
331.26273	41.1
332.26636	2.3
349.27338	100.0
350.27536	5.2
366.77817	5.3
367.28302	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	367.2836
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01841	1.1
55.05268	1.2
55.05504	16.7
57.03420	1.4
57.07071	7.4
67.05493	14.7
69.03407	0.9
69.07061	25.6
69.97902	4.1
71.04974	2.8
71.08621	13.7
73.02898	0.9
79.05489	7.6
81.07042	27.8
83.04980	3.2
83.08603	12.1
84.84539	0.8
85.06530	3.0
88.02377	0.8
91.05458	6.2
93.07031	13.4
95.04939	2.0
95.08595	27.6
97.06497	3.8
97.10140	2.7
99.04422	1.0
99.08077	13.4
105.07011	7.2
107.08578	14.8
109.06503	10.3
109.10134	9.7
111.04376	2.1
111.08059	3.1
119.08533	9.7
121.06487	2.2
121.10122	10.1
122.07239	1.1
123.08051	30.9
123.11695	3.8
125.05945	2.9
125.09621	1.5
131.08577	2.4
133.10117	11.1
135.07159	1.0
135.08041	6.3
135.11702	5.9
137.09601	3.4
137.13213	2.6
139.07506	1.8
139.11122	1.0
145.10052	2.7
147.11647	3.2
149.09615	3.8
149.13237	4.6
151.11191	1.3
153.09000	1.3
153.12706	7.0
155.10626	1.0
155.14214	1.2
159.11658	3.0
161.13235	3.0
163.11165	1.5
163.14824	2.1
165.12747	2.1
165.16302	1.3
167.14284	2.4
173.13153	1.2
175.14732	1.5
177.12738	1.2
177.16464	1.2
179.14284	40.4
180.14622	1.2
181.12122	1.9
189.16383	2.3
191.14290	2.9
193.15858	3.3
203.17920	1.0
209.15492	0.8
212.61348	1.0
219.17282	1.5
223.20554	1.1
233.18855	1.2
251.20032	12.2
275.19977	1.5
293.21072	13.1
293.28351	5.7
303.26736	14.9
309.00870	0.9
313.25034	1.2
321.27823	4.6
331.26242	45.0
349.27316	100.0
350.27615	3.1
367.28442	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	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
54.82589	3.3
55.05506	26.3
57.07064	14.2
58.34234	3.1
65.03938	4.2
67.05492	45.2
67.99335	2.9
69.03411	11.2
69.07066	27.5
70.06593	6.4
71.04991	7.1
71.08614	3.3
71.78832	5.3
79.05486	38.7
81.07048	54.5
83.04983	6.0
83.08616	14.6
85.06506	3.4
90.13462	3.2
90.16011	3.8
91.05458	57.2
93.07031	77.6
95.04945	33.9
95.08600	48.9
97.06502	9.7
97.89727	2.9
100.58926	3.9
104.20169	3.5
105.07023	87.5
107.08579	62.8
109.06495	15.4
109.10148	40.2
111.08105	5.6
115.05431	5.9
116.06228	4.9
117.07021	20.3
119.08559	100.0
121.06497	8.6
121.10123	50.0
123.08054	12.0
123.11699	15.8
128.06245	10.1
129.06981	18.1
130.07747	9.5
131.08553	56.5
133.10120	59.4
135.08046	15.2
135.11626	19.5
137.09630	6.1
141.06944	7.1
142.07776	24.5
143.08557	43.2
144.09296	12.3
145.10114	72.5
146.07285	9.0
147.08025	7.2
147.11646	25.2
149.09619	17.5
153.06976	3.9
155.08572	11.5
156.09322	11.1
157.10121	50.5
158.10876	6.2
159.08107	8.4
159.11667	41.1
161.09608	46.4
161.13264	8.3
163.11230	6.0
167.08580	3.7
169.10112	15.5
170.10880	4.4
171.11662	26.8
173.09642	11.2
173.13312	23.1
175.11151	10.3
175.14821	22.2
179.08475	8.1
179.14227	3.8
181.10078	9.9
183.11687	21.8
185.09575	3.6
185.13242	15.0
187.14796	12.2
189.16461	4.0
193.10112	4.4
194.10942	7.1
195.11684	9.7
196.12505	4.3
197.13235	14.7
198.13931	4.2
199.14771	16.5
201.16385	7.7
207.11836	5.4
209.13208	22.4
211.14822	6.9
213.12840	5.6
213.16348	5.6
220.16968	10.0
222.18532	6.6
227.12381	3.2
227.14157	20.2
238.17967	16.9
239.18114	9.3
240.19557	14.4
241.19693	7.2
249.16444	6.5
251.17963	5.7
255.17374	8.7
256.19147	8.8
257.18942	6.1
265.19534	6.3
266.20023	4.5
346.06781	4.1
349.24878	5.0
349.27979	5.3
366.77896	31.0
367.26581	15.9
367.30954	5.9
367.78342	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	367.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01856	4.3
55.05502	34.8
56.05029	11.5
57.03413	4.1
58.06580	1.6
60.04524	11.2
61.01149	2.5
61.02912	3.5
66.64633	1.2
67.05490	3.3
67.78378	1.4
68.05008	1.9
69.03423	20.1
69.07052	7.5
69.99089	7.2
70.02955	2.3
70.03777	1.4
70.06585	97.5
71.04974	4.4
71.06906	5.9
72.08145	29.5
73.02910	3.5
73.08456	1.5
74.06060	8.1
76.02219	3.2
79.05482	2.8
80.04998	3.4
81.03423	10.2
81.04498	1.6
81.07044	3.0
82.06541	1.5
83.06087	3.8
83.08606	77.3
84.04494	47.9
84.07621	3.1
84.08132	64.1
84.08936	3.1
85.02898	43.4
85.06531	2.6
85.08462	4.8
86.09695	100.0
87.00812	18.6
87.05560	2.7
87.10024	9.0
88.03980	6.0
90.05488	2.3
91.05470	18.1
93.04512	1.9
93.07016	2.6
95.05003	1.8
95.06061	2.9
97.02879	15.0
97.06532	2.2
98.06031	2.2
99.04429	5.3
101.02368	1.5
101.07144	3.5
101.09643	59.2
102.05536	6.1
104.05301	2.7
105.00039	1.8
105.01865	28.6
105.06983	3.3
107.08594	2.3
109.02867	10.9
110.06041	3.0
110.07150	27.6
111.07458	2.6
112.07562	2.1
112.08725	7.4
113.07213	2.9
114.03785	3.3
115.08672	5.5
116.07054	5.9
118.06501	1.6
119.04890	2.8
119.10686	14.8
120.06631	1.7
120.08089	21.3
121.08441	3.7
122.02717	3.1
123.04417	1.6
125.07040	2.2
127.03905	26.7
127.08615	3.0
128.10669	1.7
129.10219	38.1
130.04987	16.4
130.06516	2.5
130.08618	3.3
130.10580	1.8
131.90340	1.3
132.10181	4.2
133.06277	1.6
135.04391	4.5
135.09184	4.3
136.07556	21.8
137.07912	1.5
141.10210	1.7
142.03214	21.1
145.04964	10.6
145.05946	1.6
147.04456	3.0
147.07597	1.5
147.09155	4.5
147.11246	2.5
148.06061	1.9
151.07570	1.7
153.12721	3.3
155.08130	1.6
156.07671	4.8
157.13342	5.5
158.13687	3.1
159.02899	3.5
159.04395	4.2
159.09200	1.8
163.03926	2.5
164.07111	3.3
168.06512	1.7
173.12880	9.2
174.13239	1.5
177.05525	2.9
181.09657	1.8
182.08110	3.4
183.08519	3.0
183.14825	2.1
185.12823	2.8
186.13216	3.1
187.10983	1.8
188.03760	14.6
189.03767	1.8
189.12819	1.9
193.09789	1.6
201.12312	3.0
202.08662	1.9
205.05042	1.6
205.12222	2.1
222.12474	1.4
226.11916	2.6
231.04987	3.8
233.06096	1.4
234.16777	1.5
247.10776	11.4
254.12332	1.9
281.15012	10.5
304.99915	1.6
350.13336	1.8
367.19553	3.6
368.12726	38.0
378.72336	1.5
392.89505	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	366.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.6
55.91803	2.6
57.06791	3.8
57.07063	50.7
57.79527	2.9
58.61668	2.8
67.05476	3.6
69.07056	6.3
70.06694	17.7
71.08620	30.9
81.07050	8.2
85.10167	24.7
89.06017	100.0
89.06574	5.3
91.05465	6.9
93.07035	4.9
95.08596	5.0
96.08147	3.4
98.21442	3.9
99.11738	5.1
105.07016	2.9
107.07054	11.5
119.08588	4.6
130.08624	6.5
133.08591	38.5
143.08513	3.7
151.09581	4.3
156.56375	3.2
177.11209	12.7
183.11659	4.1
193.04967	3.2
195.12260	63.3
195.13963	4.8
220.16882	5.1
238.17975	13.5
240.19547	8.2
243.23199	4.3
349.29495	63.2
365.77124	10.8
366.27332	8.3
366.77933	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01856	4.3
55.05502	34.8
56.05029	11.5
57.03413	4.1
58.06580	1.6
60.04524	11.2
61.01149	2.5
61.02912	3.5
66.64633	1.2
67.05490	3.3
67.78378	1.4
68.05008	1.9
69.03423	20.1
69.07052	7.5
69.99089	7.2
70.02955	2.3
70.03777	1.4
70.06585	97.5
71.04974	4.4
71.06906	5.9
72.08145	29.5
73.02910	3.5
73.08456	1.5
74.06060	8.1
76.02219	3.2
79.05482	2.8
80.04998	3.4
81.03423	10.2
81.04498	1.6
81.07044	3.0
82.06541	1.5
83.06087	3.8
83.08606	77.3
84.04494	47.9
84.07621	3.1
84.08132	64.1
84.08936	3.1
85.02898	43.4
85.06531	2.6
85.08462	4.8
86.09695	100.0
87.00812	18.6
87.05560	2.7
87.10024	9.0
88.03980	6.0
90.05488	2.3
91.05470	18.1
93.04512	1.9
93.07016	2.6
95.05003	1.8
95.06061	2.9
97.02879	15.0
97.06532	2.2
98.06031	2.2
99.04429	5.3
101.02368	1.5
101.07144	3.5
101.09643	59.2
102.05536	6.1
104.05301	2.7
105.00039	1.8
105.01865	28.6
105.06983	3.3
107.08594	2.3
109.02867	10.9
110.06041	3.0
110.07150	27.6
111.07458	2.6
112.07562	2.1
112.08725	7.4
113.07213	2.9
114.03785	3.3
115.08672	5.5
116.07054	5.9
118.06501	1.6
119.04890	2.8
119.10686	14.8
120.06631	1.7
120.08089	21.3
121.08441	3.7
122.02717	3.1
123.04417	1.6
125.07040	2.2
127.03905	26.7
127.08615	3.0
128.10669	1.7
129.10219	38.1
130.04987	16.4
130.06516	2.5
130.08618	3.3
130.10580	1.8
131.90340	1.3
132.10181	4.2
133.06277	1.6
135.04391	4.5
135.09184	4.3
136.07556	21.8
137.07912	1.5
141.10210	1.7
142.03214	21.1
145.04964	10.6
145.05946	1.6
147.04456	3.0
147.07597	1.5
147.09155	4.5
147.11246	2.5
148.06061	1.9
151.07570	1.7
153.12721	3.3
155.08130	1.6
156.07671	4.8
157.13342	5.5
158.13687	3.1
159.02899	3.5
159.04395	4.2
159.09200	1.8
163.03926	2.5
164.07111	3.3
168.06512	1.7
173.12880	9.2
174.13239	1.5
177.05525	2.9
181.09657	1.8
182.08110	3.4
183.08519	3.0
183.14825	2.1
185.12823	2.8
186.13216	3.1
187.10983	1.8
188.03760	14.6
189.03767	1.8
189.12819	1.9
193.09789	1.6
201.12312	3.0
202.08662	1.9
205.05042	1.6
205.12222	2.1
222.12474	1.4
226.11916	2.6
231.04987	3.8
233.06096	1.4
234.16777	1.5
247.10776	11.4
254.12332	1.9
281.15012	10.5
304.99915	1.6
350.13336	1.8
367.19553	3.6
368.12726	38.0
378.72336	1.5
392.89505	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	366.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05504	3.8
56.05027	6.5
57.03429	2.7
57.07066	0.7
58.06594	1.1
60.04517	100.0
61.01157	0.5
62.48085	0.3
67.05496	8.9
67.05830	0.6
68.05003	0.6
69.03431	0.4
69.07057	3.5
70.02940	0.6
70.06581	26.4
70.82642	0.6
71.04988	1.6
71.06908	0.6
72.04508	1.6
72.08144	13.1
74.06068	6.8
77.03964	0.5
79.05486	5.8
80.04993	1.9
80.49832	0.3
81.03421	1.1
81.07046	12.8
82.06567	2.5
83.04983	0.9
83.08618	1.3
84.04492	6.0
84.08123	9.1
85.02886	0.6
85.06532	2.5
85.08459	0.5
86.06075	1.3
86.09694	18.7
87.05593	1.2
87.10041	1.0
88.03994	0.8
90.05544	3.1
91.05467	7.4
92.20815	0.4
93.07033	6.4
94.06546	2.3
95.04959	1.3
95.08596	9.9
96.08146	1.1
97.02876	0.5
97.06524	1.1
97.10143	0.6
98.02396	0.6
98.06062	1.1
98.09690	0.4
99.08092	1.5
100.07587	0.4
101.07139	4.1
102.05522	1.7
103.05464	0.7
104.05323	0.5
105.07029	3.5
106.06631	0.4
107.08576	3.9
108.08126	1.0
108.08881	0.5
109.06558	1.0
109.10131	3.8
110.07149	3.8
110.09673	1.3
111.08091	0.7
112.07577	0.7
112.08735	1.6
112.11210	0.5
113.09694	0.4
115.08699	0.6
116.07102	1.4
117.07016	0.8
118.06776	0.5
119.04922	2.4
119.08559	2.6
120.08094	10.7
120.08941	0.6
121.06488	0.5
121.08466	0.4
121.10127	3.5
122.09666	0.8
123.11726	0.9
125.07170	0.4
125.09626	0.7
128.10716	2.4
129.06949	0.4
129.10223	5.4
129.11113	0.5
130.06488	1.8
130.08670	0.7
131.08580	1.6
132.08070	0.8
132.10167	1.8
133.10136	2.5
134.09610	0.4
135.04379	0.5
135.11676	2.1
136.07559	21.7
136.11116	0.4
137.07907	0.8
138.09138	0.9
140.08116	0.4
140.48904	0.4
143.08449	0.3
143.11810	0.7
144.06604	0.6
144.08145	0.5
144.10216	0.9
145.10126	1.5
146.06023	1.6
147.11674	1.6
149.13281	1.0
151.11224	0.6
156.07690	1.1
158.09328	0.5
159.07904	0.5
159.09192	1.3
159.11713	1.2
161.13072	1.2
162.07687	0.4
162.09175	0.5
166.08708	1.5
169.12149	0.7
170.06003	0.4
171.11400	0.6
172.07637	0.4
173.12840	15.1
174.13348	0.4
175.11885	1.2
175.14886	0.5
176.32547	0.3
177.10236	0.7
183.14966	1.1
184.15254	0.4
185.13255	0.4
190.08586	0.6
199.17981	0.5
201.12306	6.6
202.12682	0.6
203.14001	0.6
207.11255	6.7
207.13188	0.4
208.11653	0.4
211.14355	0.7
219.15024	0.4
220.16856	0.7
221.13130	0.4
232.19167	0.5
233.16449	0.7
234.12285	0.4
235.10754	4.1
236.10905	0.5
237.48047	0.4
238.18036	1.1
244.18080	0.9
248.68555	0.4
249.12520	0.6
249.67274	2.2
253.21512	0.6
256.19382	0.5
259.20679	0.6
264.23227	1.3
267.13510	0.7
268.22720	0.4
276.23108	3.4
282.24316	1.0
288.20306	0.5
294.24255	5.9
298.52307	0.4
312.25259	5.8
313.25662	0.4
330.26349	10.2
331.27045	0.4
339.24915	0.6
348.27396	26.1
349.23630	0.7
349.27805	1.0
350.17120	0.5
357.24823	0.8
366.28461	94.4
367.10895	0.5
367.24451	2.1
367.28876	3.2
371.23212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01856	0.5
55.05504	3.3
56.05030	3.4
57.03431	0.5
60.04511	2.0
61.01137	0.8
61.02912	0.3
65.79808	0.3
67.05484	0.5
68.05013	0.3
69.03407	1.2
69.07078	2.0
70.02938	0.6
70.06584	18.1
70.81114	0.4
70.81449	0.7
71.04974	0.4
71.06910	0.6
71.13778	0.3
72.04484	0.4
72.08150	8.3
73.08504	0.5
74.06072	2.3
76.03987	0.6
76.85064	0.3
77.68504	0.3
81.03428	0.5
83.04979	0.7
83.06080	0.4
83.08598	3.0
83.37711	0.3
84.04498	3.7
84.08137	7.2
85.02893	2.3
85.06506	0.3
86.09695	100.0
87.00809	1.2
87.05568	0.4
87.10032	1.9
88.03977	1.1
90.05531	0.5
91.05473	2.6
93.04549	0.4
93.07042	0.6
95.04968	0.8
95.06076	0.4
96.43166	0.3
97.02878	1.0
97.06536	0.3
98.06051	0.5
101.07117	0.5
101.09657	3.1
102.05544	2.1
103.05437	0.5
103.36753	0.3
104.05281	1.6
105.01842	1.1
106.05003	0.5
107.08588	0.3
107.98434	0.3
109.02880	0.9
110.07151	4.8
112.08727	0.9
113.02327	0.3
113.03278	0.3
113.07101	0.4
115.08650	0.8
116.07072	0.9
118.06541	0.6
119.04939	2.6
119.10683	1.1
120.06576	1.1
120.08089	16.4
121.08453	0.7
123.04423	3.4
123.08042	0.3
123.11559	0.3
127.03881	1.5
127.08655	0.5
129.10223	3.7
130.05023	0.9
130.06525	1.3
133.06113	0.6
136.07564	18.9
137.07834	0.5
141.10220	0.5
143.11874	0.7
144.08083	0.8
145.05035	0.3
147.04414	2.3
147.07706	0.3
151.11195	0.5
155.08157	1.2
156.07625	2.2
157.07629	0.4
157.13344	25.8
158.13695	0.7
165.05457	10.5
172.07573	0.6
172.11546	1.1
173.09187	0.4
173.12932	0.5
175.11908	0.4
182.08102	23.0
183.08537	0.5
185.12834	30.9
186.13196	0.5
190.08665	0.8
197.10442	0.4
201.12260	0.4
207.11269	1.1
217.13678	1.6
219.14963	1.4
225.63434	0.3
226.15666	0.4
233.16440	4.8
235.11208	0.3
240.13867	0.3
245.13216	0.4
247.14552	0.7
251.15074	0.5
253.11816	11.1
254.12096	0.4
261.15988	1.4
348.19589	0.3
366.20605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2681
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05499	1.0
57.03432	0.4
57.07073	4.1
60.04510	1.0
67.05493	2.0
69.07063	1.5
70.06575	0.4
70.94290	0.6
70.94638	0.5
71.08617	1.5
79.05481	1.5
81.07055	2.5
83.04962	0.3
83.08601	0.7
85.06532	1.0
85.10168	0.9
91.05465	1.2
93.07029	1.5
95.04975	0.4
95.08597	3.2
98.98457	2.1
105.07040	0.8
106.05015	1.0
107.08601	1.6
107.78355	0.3
109.06507	1.1
109.10149	1.2
110.07314	0.3
111.04475	0.3
111.11681	0.3
119.08590	0.8
120.08121	0.4
121.10128	1.1
123.08046	3.1
123.11717	0.6
124.08839	1.6
125.06032	0.3
131.08562	0.6
132.07283	0.3
133.10110	0.8
135.08098	0.4
135.11673	0.6
136.06108	0.4
137.05933	0.6
139.07527	0.5
145.10101	0.6
147.11659	0.8
149.09689	0.3
151.07506	3.5
151.11142	0.5
152.08296	5.4
155.01033	5.2
157.10136	0.7
159.11623	0.6
163.14890	0.3
165.09102	7.6
165.10495	0.5
165.12735	0.4
173.09669	0.3
175.11191	0.4
177.09013	0.3
177.12735	0.5
179.10664	2.1
181.09975	0.3
185.13264	0.4
194.13048	3.3
195.11917	0.4
195.13756	0.3
207.13770	1.7
211.20631	0.5
220.17000	0.7
221.15532	0.4
222.18581	0.5
235.16949	0.8
238.18022	1.1
240.19586	0.9
249.18445	0.7
263.20108	1.5
277.21710	0.4
319.26288	1.1
329.24774	0.3
337.27264	0.5
347.25778	15.7
348.26044	1.1
364.76443	0.6
365.26852	100.0
365.77161	1.9
366.27185	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	365.2682
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
54.07243	0.7
55.05490	2.5
57.03426	0.8
57.07047	2.1
63.67840	0.7
65.43833	0.6
67.05493	4.2
69.07047	5.0
71.61288	1.0
79.05474	1.9
81.07040	4.9
83.08601	1.4
85.06530	1.7
91.05460	2.2
93.07040	4.4
95.08590	4.5
97.06476	0.8
99.08077	0.8
101.47153	0.7
101.47885	0.6
104.06686	0.7
105.06982	2.0
107.08582	4.1
109.06493	1.5
109.10122	1.7
109.58358	0.7
111.04411	2.6
111.08012	0.7
119.08543	1.8
121.10130	1.5
123.08032	3.3
125.05946	2.2
133.10162	0.9
135.08038	2.1
135.11650	1.4
137.05945	1.6
137.09566	0.8
139.07533	1.0
145.10056	1.2
147.11662	1.5
149.09639	0.8
151.07513	3.3
152.08281	3.0
163.11171	1.0
165.09073	9.9
165.12750	0.9
171.28557	0.7
177.12733	0.8
179.10678	2.4
207.13829	0.8
208.14586	1.3
208.37108	0.8
220.16751	0.8
221.15317	1.0
221.19235	0.8
222.28052	0.8
238.17850	1.6
249.18518	1.2
263.20129	0.9
305.24680	10.0
319.26270	5.0
347.25766	46.2
348.26077	3.1
365.26797	100.0
365.77109	5.7
366.27017	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	366.2014
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
52.03744	0.3
55.05497	0.6
56.04994	0.4
58.06591	0.2
60.04513	20.0
67.05474	0.3
69.07060	0.6
70.02942	1.2
70.06575	1.8
71.58860	0.5
72.04498	1.1
72.08144	0.3
76.28625	0.2
79.05464	0.4
81.07049	0.4
82.06573	0.3
84.08113	0.7
86.04451	0.2
86.09688	71.3
87.05571	15.4
87.10010	0.9
91.05457	0.5
93.07012	0.7
95.08602	0.3
96.08126	0.4
103.05444	1.3
107.04946	0.3
107.07307	0.3
108.08090	0.5
110.07114	0.3
110.09637	0.7
112.11227	0.8
117.06651	0.3
120.08080	36.7
121.08411	0.7
124.11167	0.3
126.09088	0.6
128.10696	9.6
131.04897	0.8
132.10156	1.2
136.07504	0.4
143.11806	0.4
144.07986	0.4
149.05922	0.2
156.10176	0.4
159.09102	0.3
160.87138	0.2
162.09132	1.2
166.08607	15.1
167.09000	0.5
173.12822	100.0
174.13179	2.1
194.08392	0.3
201.12302	35.5
202.12691	0.5
207.11235	3.1
219.13376	1.4
220.16927	1.3
222.18456	0.7
229.27449	0.3
235.10721	2.3
238.18024	1.7
239.18706	0.4
240.19664	1.5
246.17784	0.3
256.18945	0.5
279.17072	1.6
348.18896	0.3
365.77063	3.2
365.90930	0.9
366.19876	0.7
366.27313	1.8
366.77591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05495	0.7
55.58946	0.4
60.04508	0.5
67.05486	0.6
69.07048	1.0
70.06571	4.3
71.10454	0.9
72.08144	2.5
74.06027	0.5
78.83104	0.3
79.05476	0.7
84.04468	1.1
84.08112	1.6
86.09690	4.5
93.07041	0.4
95.04968	0.5
95.08553	0.6
98.06045	0.5
105.07004	0.4
110.07125	0.6
114.81796	0.4
120.04436	1.0
120.08074	1.4
122.05991	1.8
123.04391	0.6
124.03885	0.5
129.06866	0.5
129.10173	1.0
132.08006	0.5
133.06479	0.4
136.07529	0.7
138.05475	2.0
140.07016	1.1
144.08115	0.4
145.02808	0.5
146.05966	0.7
147.07980	0.6
148.03903	1.4
148.07538	3.3
156.07971	0.6
158.05971	0.6
160.07547	1.2
166.04988	4.2
168.06508	1.6
168.07858	0.4
170.09618	0.9
171.09163	1.3
172.07535	2.1
174.09106	2.0
175.08640	5.3
176.07047	5.8
176.09340	0.6
177.05414	0.7
178.08656	1.0
179.95473	0.4
185.07117	1.1
185.10707	0.8
186.05478	1.1
186.09096	1.0
188.10730	0.6
189.10248	2.7
190.08609	1.7
191.08096	0.4
196.07553	1.1
196.09456	0.4
198.07718	1.1
198.09233	0.8
199.08670	4.6
200.07034	2.8
201.10225	0.8
202.08582	1.7
203.08121	12.5
204.06514	1.1
204.08415	0.5
205.09715	0.6
207.11327	0.7
213.10149	4.3
214.08569	1.6
215.08237	0.8
215.11751	0.5
216.10193	1.5
217.06343	0.7
217.09758	11.6
218.08067	1.7
218.10091	0.6
219.11356	0.5
223.08597	0.9
224.06961	1.2
227.08136	13.1
228.06476	2.1
228.08591	0.8
229.09717	1.2
230.08122	0.6
231.07520	0.9
231.11235	1.2
235.10748	3.8
238.17993	0.7
241.09671	7.9
242.08005	3.7
243.11292	1.0
244.09677	10.4
245.09184	37.3
246.07518	1.1
246.09615	1.3
247.10712	2.3
250.07057	1.1
259.10724	11.0
260.08890	0.6
260.11346	0.5
263.10245	21.3
264.10660	0.6
269.09024	3.7
270.07538	1.0
271.10675	1.1
273.08615	3.1
277.11771	1.0
287.10214	17.7
288.10782	0.8
289.11829	1.1
291.09720	6.2
297.08585	0.8
305.11273	63.6
306.11664	3.1
309.10828	0.5
315.09641	3.0
323.12302	17.1
333.10748	14.8
347.12238	1.5
365.13373	100.0
366.13666	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30132	0.2
51.84623	0.2
52.40321	0.2
52.53868	0.2
53.57015	0.2
55.05491	1.1
56.05025	2.2
57.03416	0.2
58.06577	0.3
60.04520	1.6
60.05632	0.5
61.01136	1.0
67.05484	0.4
69.03419	0.3
69.07038	0.7
70.02946	0.4
70.06583	22.9
71.04984	0.4
71.06912	0.9
71.71577	0.3
72.08144	7.4
74.06065	1.9
81.03394	0.4
81.07034	0.5
82.06563	0.2
83.06087	0.9
84.04491	5.2
84.07621	0.4
84.08132	9.3
85.02886	0.7
86.06044	0.6
86.09692	10.9
86.53906	0.2
87.05581	0.8
87.10020	0.4
88.03986	0.7
90.05551	0.5
91.05479	1.5
92.05787	0.2
93.07031	0.9
95.04976	0.4
95.06063	0.4
96.04475	0.4
96.08207	0.3
97.02836	0.3
97.07626	0.3
98.06056	0.6
101.07134	1.3
102.05528	2.0
103.05441	2.3
104.05281	1.2
105.07005	0.3
107.04980	0.3
109.02854	0.3
110.06022	0.3
110.07150	4.2
111.07481	0.3
112.08710	0.9
113.07113	0.3
114.05524	0.4
115.08675	7.4
116.07095	1.2
116.08979	0.3
117.03404	0.4
117.07359	0.3
117.90563	0.2
119.04932	0.7
120.08087	100.0
121.08418	2.4
123.04411	0.3
125.07110	0.3
126.05524	0.6
127.03902	0.4
127.08620	0.7
129.06580	1.1
129.10222	5.0
130.04996	0.9
130.06471	0.3
130.08643	0.4
130.10599	0.3
132.10251	0.4
133.06062	0.3
133.10271	0.2
136.07555	6.3
137.07938	0.4
138.05452	0.3
140.11778	0.3
141.10196	0.4
143.08136	3.7
143.11775	0.3
144.08302	0.3
145.02867	0.4
145.09872	0.2
146.09607	0.2
147.04411	0.7
147.07635	0.5
147.11333	0.6
149.05959	0.3
150.05630	0.3
152.07045	0.3
155.08136	0.8
156.01151	0.5
156.07681	0.8
157.13380	0.6
159.09212	0.3
161.09258	0.4
163.03951	0.6
164.07104	0.3
166.06139	0.3
166.08600	2.7
167.08141	0.4
169.09688	0.3
169.13406	0.8
170.13663	0.2
171.07722	0.3
173.09212	1.4
173.12903	0.3
175.11954	0.3
177.05414	0.9
177.10211	1.6
182.08110	0.4
183.07664	0.4
183.11235	0.3
183.14851	0.2
185.12859	0.3
185.16479	0.3
191.11794	1.6
195.08864	0.2
195.11314	0.4
196.05994	0.3
197.12833	0.5
201.08675	0.7
203.14471	0.2
205.09753	0.9
215.13828	0.4
217.11868	0.5
218.13918	0.4
219.11272	0.9
219.14928	0.4
223.10744	21.5
224.11127	0.8
226.11911	0.3
231.11295	0.6
233.09505	0.2
235.07524	0.3
237.12276	3.4
239.15070	0.4
245.12901	1.4
248.98421	0.5
249.15924	1.8
252.97903	0.3
276.13367	1.7
277.15500	0.7
290.14914	1.1
294.14487	0.9
297.68250	0.3
302.99603	0.4
304.13004	0.3
322.13889	0.5
328.51691	0.2
333.10873	0.4
341.53812	0.3
347.17789	0.3
356.19589	0.4
356.23352	0.5
365.14163	0.4
365.18045	0.6
365.21844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14335	0.7
55.87148	0.8
56.05023	3.0
56.37983	0.8
57.03423	2.1
60.04525	4.6
60.04770	0.8
60.05641	1.7
61.01131	1.0
61.02890	0.8
66.14915	0.7
68.05040	0.8
69.03416	1.6
69.07063	0.8
70.06583	17.2
70.10390	4.3
72.08131	3.9
73.25368	0.9
74.06071	2.1
76.02184	0.7
78.99183	0.7
82.99828	1.1
83.06091	1.1
84.04491	6.5
84.08127	17.6
85.02892	3.4
85.06532	2.7
86.09686	6.1
87.05596	1.7
88.03970	1.4
89.03922	1.2
97.02896	4.0
98.06060	1.2
101.00195	1.0
101.00852	4.4
102.05535	1.2
103.02441	1.1
104.05328	2.2
107.04951	1.0
110.07146	6.1
112.08730	1.5
113.00870	1.5
115.02417	1.5
115.08664	0.8
117.04018	1.1
119.01911	17.7
120.01939	0.8
120.08103	5.6
121.01638	1.5
122.01392	1.3
123.02229	1.0
123.05517	4.3
126.05482	0.9
127.03886	1.6
128.01408	0.8
129.03996	1.2
129.10217	9.0
130.04980	3.1
130.08624	3.2
131.01891	18.0
131.05568	5.9
131.51923	1.8
132.01851	2.2
133.03448	5.1
135.04306	1.0
136.06177	6.2
136.07599	1.5
137.01892	7.0
137.02946	2.2
137.51964	2.7
143.01880	12.6
143.02898	1.4
143.05478	1.4
143.08131	1.2
143.51939	1.1
145.03468	9.2
147.01357	1.2
147.05121	1.2
147.07632	2.8
147.11235	1.8
148.04762	0.9
149.01895	1.2
149.02954	2.5
149.06580	11.4
152.02412	3.3
155.01884	8.1
155.05600	0.9
156.02713	2.2
157.03464	3.6
158.02435	1.2
159.05042	3.6
161.02946	13.9
161.06578	15.4
162.02985	1.4
162.06657	0.9
163.03946	5.4
167.01842	1.0
167.05548	0.9
167.12607	0.8
171.04987	3.2
173.02946	24.4
173.06575	11.1
173.53018	2.5
174.03110	1.0
175.04556	2.0
177.06024	1.5
179.03062	1.2
179.07613	6.6
182.03452	1.7
185.02939	10.7
185.04266	3.5
185.06575	8.7
187.04509	2.9
187.08138	3.1
188.03423	1.0
189.06113	2.7
191.07599	1.1
195.03671	0.9
196.02051	1.5
197.02919	5.0
197.06544	6.0
199.08231	4.1
202.14291	1.1
203.03944	8.6
203.05389	8.3
203.07648	28.4
203.14702	3.3
203.54115	2.7
204.07809	1.4
204.12277	1.2
209.06639	3.0
210.04752	1.9
212.04611	1.8
212.54456	0.9
215.04225	1.9
215.07616	29.2
216.07909	1.0
217.09279	5.9
219.01802	1.1
219.08038	0.9
221.03102	1.2
221.04951	12.0
222.98526	1.0
223.04805	1.3
223.10773	0.9
224.04492	3.1
225.04419	2.0
227.04027	2.4
227.07617	4.4
234.04762	2.3
239.07729	7.0
241.29507	0.9
245.05028	23.9
245.08803	3.6
246.05240	2.4
250.98999	1.0
252.05766	3.9
257.05099	1.4
257.08752	2.8
261.08148	2.1
261.58447	1.1
263.06082	5.1
275.06488	1.9
275.09708	6.4
279.09277	2.8
281.04987	1.2
287.09723	3.7
293.07147	1.2
305.10770	100.0
306.10968	6.2
323.11816	22.7
324.11951	1.5
330.11597	0.9
365.09857	23.7
365.20258	3.7
365.70898	1.5
383.08316	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	364.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.05508	6.0
56.05027	37.8
57.07069	9.0
59.63851	1.1
60.04520	10.9
60.05669	1.1
61.00837	1.5
61.01144	29.2
61.04844	1.2
67.05477	1.6
68.05007	1.4
69.03410	3.3
69.04535	1.5
69.07060	4.1
70.02287	2.5
70.02692	3.8
70.02972	1.5
70.06583	45.0
71.06910	1.8
72.04516	1.3
72.08147	73.8
72.93771	1.7
73.08459	2.3
74.00642	1.0
74.02417	1.1
74.06072	10.5
75.02702	1.4
76.02194	1.9
79.05471	1.8
81.03405	2.2
81.04518	3.6
82.06557	3.9
83.06078	3.0
84.04501	13.3
84.08135	35.3
85.01130	1.1
85.02887	3.9
85.04033	1.4
85.08467	2.6
86.06052	1.4
86.09692	45.8
87.05600	2.5
87.10018	11.8
88.03970	3.9
89.03896	2.4
90.05560	1.4
90.57521	0.9
91.05470	2.5
93.04527	1.1
93.06995	1.2
94.06541	1.3
95.06074	4.7
96.04464	2.2
97.02870	3.3
97.06548	1.1
98.06032	2.9
98.06667	1.0
100.02158	1.1
101.07122	2.7
101.10783	1.3
102.03741	2.3
102.05532	5.1
104.05318	56.0
106.05017	1.5
107.04914	3.1
108.08107	1.7
109.02827	1.6
110.06006	4.1
110.07150	27.3
110.09665	11.0
111.09171	1.4
112.07579	3.7
112.08725	2.3
113.07136	1.7
115.08702	1.7
116.03397	1.4
116.07060	2.7
117.03381	2.4
120.08099	12.7
122.06008	1.3
123.04417	1.4
123.05547	1.2
125.07102	3.9
126.05502	2.8
127.08665	5.6
129.06552	1.5
129.10219	16.0
130.05011	6.8
130.08641	1.5
132.04652	1.4
134.04453	2.2
134.05995	1.6
135.04428	7.9
136.07558	4.6
136.11227	3.7
138.05460	1.1
139.03867	5.1
140.07098	1.2
143.11784	1.8
145.02832	4.0
145.06125	1.5
147.04376	1.9
147.07625	5.0
147.11353	1.6
148.06033	1.5
152.05670	10.5
153.04091	1.1
155.08179	1.8
155.11775	3.4
156.07669	2.5
158.09975	57.0
162.10236	3.2
163.03886	32.2
164.04211	1.9
164.10703	11.1
166.12207	1.2
167.06949	1.9
167.10683	1.4
172.11574	1.7
173.12743	1.3
174.13162	1.1
175.07222	1.2
181.13298	12.7
185.04344	4.6
186.09412	1.7
189.12334	1.9
190.09769	11.7
190.12611	1.8
201.12273	1.2
202.10674	3.2
203.05289	2.7
203.12105	100.0
204.07387	1.1
204.12440	2.1
209.12854	3.1
217.13649	1.8
231.11586	53.0
233.09181	1.4
233.11319	16.5
234.08887	3.1
234.96848	5.8
234.98891	1.2
251.97032	1.2
252.97910	18.3
253.98204	2.0
259.14914	2.1
260.98401	4.0
271.14676	2.2
273.17014	5.0
278.99411	7.3
301.16428	1.5
322.98532	1.3
323.10120	1.6
347.17096	19.9
364.15268	4.4
364.19308	5.6
365.10632	7.2
365.22095	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	364.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
57.07053	0.6
61.15124	0.5
67.05492	5.3
69.03420	6.0
69.07054	1.4
71.71616	0.8
78.70893	0.5
79.05470	5.1
81.07047	6.6
81.09486	0.4
83.08603	0.6
86.06056	100.0
87.04456	15.8
87.06362	1.2
91.05476	2.0
93.07032	6.7
95.04971	0.6
95.08598	4.7
99.31481	0.7
104.07088	25.9
104.22625	0.4
105.07012	1.5
107.08600	3.6
109.10150	1.5
117.07040	0.6
119.08607	1.5
121.10110	2.6
123.11681	0.9
131.08533	1.7
131.92935	0.5
133.10127	1.2
135.11681	2.2
145.10123	1.3
147.11681	1.0
149.13261	1.1
159.11650	1.1
161.13258	0.9
163.14784	0.5
165.02324	0.5
187.14816	0.8
243.21082	1.4
261.22083	4.0
313.44995	0.5
328.26450	0.6
364.28473	3.0
364.76447	0.7
365.24445	0.6
365.28690	1.0
369.51617	0.5
372.64178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3203
Annotation	Terminaline
Peak:m/z	Relative Intensity
51.62488	1.3
53.03940	2.2
55.01863	1.5
55.05505	19.0
57.07070	1.3
60.08147	2.7
65.03944	1.4
67.05494	37.1
69.07057	18.5
70.06559	2.0
70.66452	1.2
71.04981	1.8
71.27288	2.9
73.02904	1.5
74.69135	1.0
79.05480	21.3
81.07044	31.7
83.04931	1.3
83.08605	7.9
85.06546	1.5
86.09674	2.4
89.06004	1.3
91.05473	14.1
93.06482	1.9
93.07032	27.7
94.40776	1.2
95.04966	2.9
95.08591	26.1
97.06515	3.0
97.10147	1.9
98.20924	1.4
99.04433	2.6
105.07029	5.9
107.08578	17.1
109.06554	1.6
109.10143	8.5
113.41019	1.2
119.08554	4.2
121.10134	10.0
123.08062	1.8
123.11690	1.3
131.08572	1.5
133.10136	4.0
135.11671	6.4
147.11713	1.9
149.13232	2.9
160.27748	1.1
161.13217	1.5
234.20869	1.2
238.65945	1.6
240.19536	1.8
305.24698	53.3
306.24994	3.3
329.24835	1.3
364.32050	100.0
364.76373	1.7
365.10489	1.4
365.27911	1.2
365.32498	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	365.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82456	0.3
69.50040	2.7
73.81834	0.3
82.45118	0.3
97.02931	0.2
157.95895	0.3
161.02921	0.3
185.04185	18.0
197.19579	0.3
203.05229	40.8
204.05553	0.7
245.05055	0.9
294.23712	0.3
365.10489	100.0
366.10800	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	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35359	0.4
68.73498	0.4
71.40494	0.7
71.40833	0.9
87.77456	0.4
92.38457	0.4
101.09203	0.4
113.48161	0.4
119.01889	0.6
156.96254	0.4
161.02922	0.6
175.39813	0.4
185.04211	17.4
192.68359	0.4
197.02969	0.5
203.05243	39.1
221.06500	0.5
245.05026	2.1
365.10516	100.0
366.10898	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.0
57.03415	0.9
57.07048	1.8
57.32658	0.4
59.04959	0.5
61.92723	0.4
65.03918	0.5
67.05494	5.0
69.07056	10.5
69.47276	0.7
69.47681	2.9
71.04973	1.2
71.08610	0.8
79.05479	3.0
81.06590	0.7
81.07038	10.4
83.04965	1.0
83.08605	4.6
85.06526	1.0
91.05480	1.9
93.07022	5.8
95.04953	0.4
95.08588	8.8
97.06510	1.8
97.10163	1.3
99.08068	0.7
105.07020	3.0
107.08570	5.2
109.06490	8.3
109.10137	4.0
110.91486	0.4
111.07391	0.4
111.08023	2.3
111.87135	0.3
119.08568	4.4
121.10119	3.7
122.07242	0.9
123.08041	59.5
123.11661	2.7
124.08376	1.1
125.09592	0.8
127.07520	0.4
131.08510	0.9
133.10123	3.1
135.08031	5.3
135.11676	1.6
137.09608	4.4
137.13211	0.8
145.10068	1.2
147.11684	1.6
149.09613	1.6
149.12151	0.4
149.13181	2.1
151.11119	0.7
157.50497	0.4
159.11668	1.2
161.13213	0.9
163.11111	0.8
165.12743	1.1
167.14322	1.1
173.13222	0.9
176.89561	0.4
177.12758	0.7
179.14278	18.2
180.14584	0.7
233.18945	0.8
263.20160	0.6
275.20047	1.2
289.21762	0.4
289.25052	0.9
295.22574	0.9
303.26779	0.6
307.22583	6.6
308.22916	0.4
321.23965	0.4
331.26279	3.9
363.28854	100.0
364.29196	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	363.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.0
55.05500	25.2
57.07066	5.3
67.05492	31.0
68.98464	2.9
69.07058	42.8
69.73443	2.7
70.06570	21.1
70.27925	2.8
71.59296	4.2
72.08138	6.2
73.31873	2.8
78.42844	3.0
79.05460	13.9
81.07045	41.6
82.06573	3.8
83.04945	3.9
83.08603	24.5
84.04536	2.9
84.08118	8.0
85.06535	6.3
86.09691	6.6
90.92368	2.5
91.05457	12.9
93.07027	24.0
95.04965	3.7
95.08584	42.1
97.06509	6.5
97.10144	17.3
105.06987	16.0
107.08583	15.2
109.06483	5.4
109.10129	20.9
110.07187	3.9
111.08017	5.6
111.11721	6.3
113.09591	4.3
119.08559	9.9
120.08070	7.6
121.10128	20.1
123.08069	4.3
123.11663	5.9
125.13249	3.2
127.46215	2.7
129.10190	2.7
133.10086	12.2
135.08041	5.9
135.11670	11.4
137.09618	3.7
137.13286	3.6
145.10112	3.8
146.20432	2.9
147.11671	9.3
151.11104	4.8
161.13208	4.3
175.14754	3.5
179.14291	2.8
203.06718	3.2
217.19513	12.1
218.15314	3.5
220.16905	5.8
222.18568	4.0
235.20464	15.9
237.16728	2.9
238.18018	8.8
240.19579	6.2
253.21614	11.0
309.24121	4.6
327.25232	100.0
328.25638	5.4
345.26230	9.8
348.07465	6.5
362.76688	4.4
363.22046	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	363.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.8
57.07064	4.6
59.04970	0.4
61.82447	0.5
64.28204	0.4
67.05498	4.0
69.07066	2.9
71.04973	0.4
71.08616	4.1
71.37492	0.6
79.05483	2.4
81.07045	7.8
82.92420	0.3
83.04949	0.5
83.08588	1.2
85.06539	2.9
89.06011	1.5
91.05448	1.3
93.07042	2.5
93.07545	0.4
95.04962	0.6
95.08592	6.4
97.06525	0.6
97.10164	0.9
99.08101	2.2
105.07010	2.4
107.08566	3.1
109.06504	17.2
109.07266	0.8
109.10131	1.6
111.08048	0.7
119.08557	2.0
121.10130	2.0
122.07257	1.6
123.08051	23.8
123.11662	0.8
124.08414	0.5
125.09570	0.4
131.08522	0.7
133.10094	1.1
135.08047	3.1
135.11659	0.6
137.09575	1.4
137.13261	0.5
143.08513	0.4
145.10063	0.5
147.11674	1.4
151.11150	0.6
159.11635	0.5
161.13274	0.6
165.12744	1.1
167.14264	1.1
175.14838	0.9
179.14284	91.4
180.14595	3.7
189.40930	0.4
193.15851	2.5
200.33968	0.4
208.62476	0.3
233.12540	0.3
289.25262	0.4
290.67444	0.4
307.22589	0.8
331.26285	3.5
363.28879	100.0
364.29187	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	363.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.4
56.04816	0.6
56.05035	5.8
60.04499	0.9
61.01136	3.2
70.02942	2.4
70.06582	6.6
70.12344	3.5
72.08145	86.8
73.08473	0.7
74.06058	1.4
82.06571	4.8
84.04491	2.5
84.08125	3.7
85.03999	1.4
85.08463	0.6
86.09698	4.8
87.05576	10.5
87.10023	1.1
88.03983	9.2
91.05484	0.8
94.06538	0.9
96.08102	4.4
96.27692	0.7
98.02402	9.1
99.09190	4.2
102.05530	1.1
104.05313	8.1
107.94324	0.6
110.02379	3.2
110.07173	1.5
112.39171	0.6
113.07108	0.7
115.05061	1.7
115.08669	0.7
120.08101	1.3
122.02730	0.9
124.07560	7.2
127.07705	1.1
127.08657	23.6
129.10210	3.3
131.01620	1.9
132.10109	0.7
133.03175	7.1
136.07562	1.3
141.10207	26.9
145.04898	0.6
147.04335	1.2
150.05818	7.2
152.05917	0.7
152.07004	3.2
155.11746	0.6
159.09157	0.7
163.03822	1.7
168.11275	1.5
169.09703	18.2
184.09631	0.7
186.12358	100.0
201.10748	0.7
214.11844	38.7
249.12663	3.5
252.97943	1.3
259.11115	6.5
276.09650	0.6
281.50842	0.6
287.10593	1.6
329.11591	3.4
345.11200	0.6
345.15607	0.7
346.14313	2.9
363.16055	3.0
363.25757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.05022	8.5
57.03426	1.0
58.06580	0.7
58.42047	0.5
58.46998	0.6
58.99591	0.9
60.04512	33.9
61.01140	1.8
67.05481	0.9
68.05013	1.0
69.03445	0.7
69.07066	2.2
70.02946	2.3
70.06580	48.6
70.16975	0.6
71.06911	1.7
71.14410	1.3
71.14767	0.9
72.04514	1.8
72.08143	9.7
73.08471	1.3
74.06072	3.7
74.06432	0.6
79.05473	1.2
81.07060	2.0
83.06071	0.9
84.04490	47.9
84.08134	17.6
85.02885	1.6
85.06523	1.1
85.08479	1.3
86.09692	97.7
87.05572	17.6
87.10023	2.4
88.03986	2.3
88.31919	0.6
91.05473	2.2
93.07022	1.2
95.04964	1.1
95.06030	0.6
96.08153	0.7
97.06522	1.0
99.15223	0.8
101.07168	0.8
102.05522	15.6
103.04054	0.6
103.46584	0.7
104.05310	7.4
107.08577	1.2
110.07156	10.3
110.09657	0.8
112.08738	1.4
115.08684	1.3
116.07086	7.3
119.04922	0.9
119.08559	0.7
120.08086	5.2
121.06514	0.9
122.02702	1.8
124.07574	2.0
126.05462	0.6
126.09189	0.9
127.03899	0.7
128.10699	11.4
129.10222	7.1
130.05014	1.8
130.06506	1.8
130.08629	0.9
130.10583	0.8
131.08513	1.8
132.04433	1.5
132.10165	0.9
133.10095	0.9
134.08096	3.9
135.07991	1.0
136.07527	4.5
137.05865	0.7
138.09111	1.1
143.11736	1.4
144.06534	41.3
145.02835	2.2
147.11238	1.5
152.07030	1.6
156.07608	0.9
156.10219	1.0
159.07797	0.6
159.09116	0.7
162.07588	100.0
163.03844	1.2
169.13324	0.8
173.12831	98.7
174.13243	1.3
177.05447	2.0
177.09052	1.8
181.09778	1.3
185.09201	0.8
188.07014	1.1
200.07062	0.6
201.10532	2.5
201.12294	27.2
213.12276	0.9
223.09573	0.7
223.13116	0.7
229.09987	2.5
231.13374	8.5
235.07581	0.7
270.63635	0.8
275.10736	0.6
275.15967	4.1
326.23102	1.3
344.11768	0.7
344.15625	1.4
344.24100	3.6
362.12695	1.0
362.17911	4.2
362.25153	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	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16565	0.8
55.01867	1.9
55.05497	3.3
56.05028	9.6
57.03437	1.4
58.06583	1.6
58.99563	2.8
59.38234	0.9
60.04519	16.4
60.05627	2.0
61.01144	2.6
67.05484	3.0
68.05001	1.1
68.80283	0.7
69.03408	3.3
69.07057	4.3
70.02935	1.7
70.06583	72.2
71.04967	1.6
71.06911	3.3
71.75185	1.2
72.04506	1.1
72.07737	1.1
72.08145	21.2
73.08470	1.0
74.00629	0.7
74.06065	11.1
76.02217	5.1
76.03989	0.8
78.47748	0.7
79.05489	3.9
81.03425	1.6
81.07046	4.7
82.06569	2.2
83.04980	1.3
83.06100	2.3
84.04491	20.5
84.08134	34.1
85.02910	5.7
85.04008	1.0
85.06522	3.1
85.08463	2.1
86.06044	2.2
86.09695	72.9
86.99025	0.8
87.04451	1.5
87.05563	2.3
87.10023	4.7
88.03976	7.1
90.05552	1.2
91.05468	10.1
93.04483	0.8
93.07049	3.3
94.06523	1.2
94.64571	0.6
95.04936	2.3
95.06071	2.0
95.08615	2.3
96.04510	1.2
96.08115	1.3
97.02862	1.3
97.06508	1.2
97.07589	1.0
98.06034	2.9
99.04424	1.6
99.05557	0.8
101.07127	4.4
102.05524	7.8
102.16858	0.8
103.05421	1.0
104.05321	4.3
105.00074	2.8
105.07029	5.5
106.05019	1.2
107.04945	3.0
107.08618	3.7
108.04469	0.8
109.06502	2.2
109.10139	4.8
110.06010	2.0
110.07159	22.4
110.09661	0.8
111.04415	1.4
111.08086	1.1
111.09180	0.8
112.03959	1.5
112.07581	1.5
112.08726	4.7
113.07105	2.3
114.05461	0.8
115.08685	3.5
116.07094	4.8
117.03382	2.0
117.06975	4.5
118.06511	0.8
119.04909	2.9
119.08566	3.0
120.06551	2.6
120.08099	11.7
121.06498	6.3
121.08422	1.0
121.10115	2.1
122.02715	30.6
122.07242	1.2
123.04453	1.9
123.08046	4.1
124.07585	5.3
125.07100	1.0
125.09606	0.9
126.05489	1.9
127.03917	1.7
127.07590	1.6
127.08662	0.8
129.06880	1.6
129.10220	20.0
130.04994	5.2
130.06529	2.5
130.08661	1.9
130.10625	1.2
131.04897	1.4
131.08562	13.7
132.01071	0.8
132.08026	2.2
133.10135	3.8
135.04361	1.2
135.08009	2.1
135.11656	1.0
136.07562	10.0
137.05943	2.7
137.09595	4.7
138.06601	0.9
138.09138	1.5
139.08597	1.1
140.08189	1.1
141.06590	2.0
141.10194	1.5
142.12331	0.9
143.11774	3.4
144.06560	1.5
144.29051	0.9
145.02827	5.7
145.05037	0.9
145.06476	1.7
145.10077	1.1
146.06079	1.5
147.04411	6.5
147.08012	4.4
147.11298	1.1
148.06023	2.4
149.05934	2.7
149.09575	4.3
152.07040	5.3
155.08154	0.9
155.11751	1.1
156.07687	1.7
159.07982	7.3
159.09204	3.2
161.09506	2.3
163.03922	1.1
163.11209	1.2
164.11542	0.8
165.05553	3.5
165.09097	100.0
166.09506	2.3
167.07010	1.2
170.05997	1.7
171.07672	1.1
172.10783	2.1
173.12865	2.1
175.11903	2.1
177.05495	7.7
177.09087	20.2
179.10663	1.6
182.08014	1.0
183.10091	5.3
183.14932	1.1
187.07475	7.1
187.10811	1.2
187.14392	11.5
188.07053	2.0
189.08975	2.6
189.13564	0.9
194.12595	0.9
195.11296	1.2
196.10913	0.8
197.12842	1.3
201.12383	1.7
205.08377	4.4
212.13910	1.1
215.13907	7.2
223.07713	1.0
223.09499	3.8
225.12323	5.9
226.11821	0.9
226.15518	1.7
229.09718	1.2
233.14972	2.1
237.12312	2.1
240.13481	1.0
241.10672	1.0
241.14270	1.3
243.13474	1.4
247.10760	2.1
270.16211	0.8
273.11304	1.0
276.16888	3.0
276.67035	5.2
277.17233	1.4
302.99686	1.2
318.44955	0.7
326.23184	1.9
341.18338	0.8
344.10071	2.8
344.18118	2.3
344.24258	5.1
345.10831	0.9
351.17462	1.0
361.69791	0.9
362.12408	2.4
362.18521	3.6
362.25327	4.9
363.11636	1.3
363.15860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05500	4.5
56.05025	10.5
57.03416	1.8
58.06581	0.9
58.99565	4.4
60.04514	18.9
60.05622	0.9
61.01131	2.4
67.05493	3.1
68.05011	1.7
69.03428	4.4
69.04586	0.7
69.07056	5.2
70.02943	1.8
70.06580	94.0
70.93090	1.8
70.93446	1.4
71.04996	1.2
71.06280	1.0
71.06911	7.7
72.08143	21.9
73.02882	1.0
73.08484	1.6
74.02438	0.7
74.06062	10.7
76.02215	8.4
76.03978	1.1
77.03913	0.8
79.05479	4.4
81.03418	0.9
81.07045	4.1
82.48202	0.9
83.04971	1.0
83.06089	3.5
84.04494	19.2
84.04974	1.5
84.08128	43.6
85.02892	7.0
85.06524	2.5
85.08465	2.3
86.06073	1.0
86.09692	86.8
86.99037	2.3
87.04452	1.2
87.05583	2.9
87.10008	4.6
88.03973	5.5
89.03867	1.0
90.05537	1.2
91.05462	13.5
93.04497	1.4
93.07021	4.0
94.06573	1.2
95.04973	1.9
95.06077	1.9
95.08598	2.7
96.04481	1.4
96.08104	1.9
97.02870	1.7
97.06520	1.1
97.07596	1.4
98.02383	1.0
98.06034	2.4
99.04432	1.7
100.07562	0.8
101.07146	5.6
101.10769	0.9
102.05520	7.6
103.05425	1.7
104.05293	5.4
104.21227	0.7
105.00098	4.1
105.07027	7.9
106.05009	1.5
107.04926	4.0
107.08567	3.1
109.02887	1.0
109.06487	2.1
109.10135	5.1
110.06026	1.5
110.07150	21.6
110.58649	0.8
110.75557	0.8
111.09184	0.9
112.07608	1.4
112.08701	4.2
113.07112	1.4
114.05589	1.5
115.08655	4.0
116.06296	1.8
116.07095	5.0
117.03367	2.5
117.07009	6.9
119.04926	3.4
119.08549	4.4
120.06564	3.6
120.08072	11.9
121.06494	9.8
121.08445	1.1
121.10139	2.6
122.02705	51.7
123.04408	3.1
123.08022	4.1
124.07574	5.2
125.05933	1.3
125.07051	1.0
126.05505	2.7
127.03935	1.5
127.07556	1.9
127.08667	1.1
129.06906	1.3
129.10222	28.6
129.97957	0.8
130.04982	4.7
130.06538	1.2
130.08626	2.8
130.10614	1.9
131.07019	1.0
131.08545	26.0
132.01144	1.0
132.08044	1.2
133.10115	3.4
135.07980	5.0
136.07564	11.2
136.08577	1.3
137.05963	2.7
137.09595	5.1
138.06569	1.1
139.08623	1.4
140.07050	1.7
140.08064	1.6
141.06613	1.8
141.10207	2.5
142.12271	1.6
143.08344	1.0
143.11768	5.3
144.06535	1.4
145.02823	6.2
145.04970	1.6
145.06482	2.3
145.10146	0.9
147.04388	5.6
147.08031	5.0
147.11284	1.7
148.06007	3.0
149.05983	3.2
149.09564	6.9
150.06694	1.1
152.07050	7.4
156.07646	2.7
157.09712	1.1
159.08022	13.2
159.09248	1.4
161.09575	4.2
163.03925	1.4
163.11168	1.5
164.11655	0.9
165.05428	5.0
165.09088	100.0
166.09653	1.2
167.07036	0.9
169.09801	1.9
169.13435	1.2
170.08199	1.0
171.07654	1.0
172.10721	1.6
173.12892	2.2
175.08614	1.1
175.11880	2.2
177.05469	10.2
177.09064	36.6
179.10658	1.6
181.08479	1.8
181.09875	1.0
182.08041	1.4
183.06491	0.9
183.10020	4.4
186.12300	1.2
187.07477	10.5
187.10765	1.3
187.14384	14.1
189.09007	2.7
195.11365	2.0
197.12909	1.6
200.12604	0.9
201.08806	1.0
201.12451	1.0
203.10179	1.1
205.08539	7.4
213.62000	0.9
215.13852	10.3
223.09668	3.2
223.13223	1.6
225.12314	3.1
226.11781	1.0
226.15489	1.2
233.14998	2.3
233.28148	0.8
235.11931	0.9
237.12337	3.0
241.10771	1.3
241.14320	1.4
243.13338	1.2
247.10844	1.9
253.12776	0.9
258.15802	0.9
270.15924	0.9
276.16867	2.5
276.66949	5.0
277.17062	2.0
286.15024	1.0
291.12466	1.0
300.12494	1.2
300.17172	1.2
302.99545	1.3
326.23129	2.1
344.11322	2.4
344.18106	2.8
344.24231	6.0
352.99393	0.9
362.12619	1.8
362.18353	4.2
362.25446	5.8
363.11887	0.9
363.35660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65073	3.1
53.03952	4.8
53.15726	3.5
55.01881	9.0
55.05505	33.2
57.03440	3.6
58.06610	3.9
67.05499	47.9
69.03423	11.3
69.07059	43.4
70.06577	26.3
70.28088	14.7
71.04987	99.5
72.08157	5.0
79.05489	37.9
79.26263	3.4
81.07052	58.6
82.06539	4.1
83.04976	7.7
83.08607	23.6
84.04443	3.0
84.08147	16.0
85.02883	19.2
85.06506	5.4
86.09705	9.6
91.05468	27.6
93.07031	33.4
95.04984	8.7
95.08588	36.7
95.59919	3.3
97.02858	8.2
97.06508	13.3
97.10144	23.8
105.07033	27.8
107.04945	6.6
107.08577	48.1
109.06490	3.4
109.10139	11.6
110.07163	6.0
117.06998	7.6
119.08569	17.7
120.08119	6.8
121.06490	5.2
121.10114	16.3
122.09630	4.5
123.08031	7.0
123.11704	7.1
125.09610	20.1
127.03900	14.9
129.10233	5.7
131.08563	15.0
133.10132	22.0
135.08044	5.6
135.11653	24.8
137.09628	5.6
140.08237	3.4
143.08537	3.9
145.04939	10.3
145.10110	10.5
147.11647	13.9
149.09605	16.9
149.13240	11.7
151.11147	5.8
153.12825	4.3
157.10139	4.8
159.11676	19.2
161.09587	3.5
163.03914	3.8
171.11591	5.1
173.11726	9.9
173.13260	6.9
177.12738	10.8
189.11206	19.8
195.13748	23.7
209.15350	9.8
220.16956	15.2
222.18594	7.4
227.16389	100.0
238.17972	19.4
239.18353	5.2
240.19589	17.8
257.18982	7.8
263.50525	3.6
275.20059	70.3
276.20514	6.9
293.21094	4.5
307.22650	26.7
359.90717	17.8
360.24350	9.0
360.57858	43.4
360.91339	13.4
361.25162	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	362.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05500	4.5
56.05025	10.5
57.03416	1.8
58.06581	0.9
58.99565	4.4
60.04514	18.9
60.05622	0.9
61.01131	2.4
67.05493	3.1
68.05011	1.7
69.03428	4.4
69.04586	0.7
69.07056	5.2
70.02943	1.8
70.06580	94.0
70.93090	1.8
70.93446	1.4
71.04996	1.2
71.06280	1.0
71.06911	7.7
72.08143	21.9
73.02882	1.0
73.08484	1.6
74.02438	0.7
74.06062	10.7
76.02215	8.4
76.03978	1.1
77.03913	0.8
79.05479	4.4
81.03418	0.9
81.07045	4.1
82.48202	0.9
83.04971	1.0
83.06089	3.5
84.04494	19.2
84.04974	1.5
84.08128	43.6
85.02892	7.0
85.06524	2.5
85.08465	2.3
86.06073	1.0
86.09692	86.8
86.99037	2.3
87.04452	1.2
87.05583	2.9
87.10008	4.6
88.03973	5.5
89.03867	1.0
90.05537	1.2
91.05462	13.5
93.04497	1.4
93.07021	4.0
94.06573	1.2
95.04973	1.9
95.06077	1.9
95.08598	2.7
96.04481	1.4
96.08104	1.9
97.02870	1.7
97.06520	1.1
97.07596	1.4
98.02383	1.0
98.06034	2.4
99.04432	1.7
100.07562	0.8
101.07146	5.6
101.10769	0.9
102.05520	7.6
103.05425	1.7
104.05293	5.4
104.21227	0.7
105.00098	4.1
105.07027	7.9
106.05009	1.5
107.04926	4.0
107.08567	3.1
109.02887	1.0
109.06487	2.1
109.10135	5.1
110.06026	1.5
110.07150	21.6
110.58649	0.8
110.75557	0.8
111.09184	0.9
112.07608	1.4
112.08701	4.2
113.07112	1.4
114.05589	1.5
115.08655	4.0
116.06296	1.8
116.07095	5.0
117.03367	2.5
117.07009	6.9
119.04926	3.4
119.08549	4.4
120.06564	3.6
120.08072	11.9
121.06494	9.8
121.08445	1.1
121.10139	2.6
122.02705	51.7
123.04408	3.1
123.08022	4.1
124.07574	5.2
125.05933	1.3
125.07051	1.0
126.05505	2.7
127.03935	1.5
127.07556	1.9
127.08667	1.1
129.06906	1.3
129.10222	28.6
129.97957	0.8
130.04982	4.7
130.06538	1.2
130.08626	2.8
130.10614	1.9
131.07019	1.0
131.08545	26.0
132.01144	1.0
132.08044	1.2
133.10115	3.4
135.07980	5.0
136.07564	11.2
136.08577	1.3
137.05963	2.7
137.09595	5.1
138.06569	1.1
139.08623	1.4
140.07050	1.7
140.08064	1.6
141.06613	1.8
141.10207	2.5
142.12271	1.6
143.08344	1.0
143.11768	5.3
144.06535	1.4
145.02823	6.2
145.04970	1.6
145.06482	2.3
145.10146	0.9
147.04388	5.6
147.08031	5.0
147.11284	1.7
148.06007	3.0
149.05983	3.2
149.09564	6.9
150.06694	1.1
152.07050	7.4
156.07646	2.7
157.09712	1.1
159.08022	13.2
159.09248	1.4
161.09575	4.2
163.03925	1.4
163.11168	1.5
164.11655	0.9
165.05428	5.0
165.09088	100.0
166.09653	1.2
167.07036	0.9
169.09801	1.9
169.13435	1.2
170.08199	1.0
171.07654	1.0
172.10721	1.6
173.12892	2.2
175.08614	1.1
175.11880	2.2
177.05469	10.2
177.09064	36.6
179.10658	1.6
181.08479	1.8
181.09875	1.0
182.08041	1.4
183.06491	0.9
183.10020	4.4
186.12300	1.2
187.07477	10.5
187.10765	1.3
187.14384	14.1
189.09007	2.7
195.11365	2.0
197.12909	1.6
200.12604	0.9
201.08806	1.0
201.12451	1.0
203.10179	1.1
205.08539	7.4
213.62000	0.9
215.13852	10.3
223.09668	3.2
223.13223	1.6
225.12314	3.1
226.11781	1.0
226.15489	1.2
233.14998	2.3
233.28148	0.8
235.11931	0.9
237.12337	3.0
241.10771	1.3
241.14320	1.4
243.13338	1.2
247.10844	1.9
253.12776	0.9
258.15802	0.9
270.15924	0.9
276.16867	2.5
276.66949	5.0
277.17062	2.0
286.15024	1.0
291.12466	1.0
300.12494	1.2
300.17172	1.2
302.99545	1.3
326.23129	2.1
344.11322	2.4
344.18106	2.8
344.24231	6.0
352.99393	0.9
362.12619	1.8
362.18353	4.2
362.25446	5.8
363.11887	0.9
363.35660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01485	1.0
52.72825	1.1
53.03936	1.8
55.01859	8.0
56.05027	1.3
57.03434	9.1
61.02920	4.7
61.32764	1.0
67.08231	1.1
67.08589	0.9
69.03419	37.5
69.68930	8.6
70.06583	4.3
71.05005	1.9
72.08141	4.2
73.02901	4.6
81.03395	4.7
84.08141	3.5
85.02895	100.0
86.03224	1.1
86.09701	5.4
87.04446	2.2
88.03979	1.2
89.03908	2.0
91.03938	1.1
97.02880	36.0
97.03507	2.0
98.03170	1.0
99.04443	8.4
101.02372	7.7
107.04952	1.4
109.02863	5.8
115.03918	4.5
117.03329	2.0
119.01866	1.9
127.03902	78.6
128.04282	1.6
129.10207	2.3
133.06128	1.1
135.04387	6.2
142.86220	1.0
143.01926	1.1
145.02899	3.5
145.04941	76.7
146.05251	1.1
154.67456	1.1
161.02936	1.2
163.03899	27.4
163.05975	18.0
173.02946	1.3
180.08636	4.7
185.16461	2.0
198.09671	1.7
203.01871	1.7
203.03896	1.1
203.53391	1.1
215.38857	1.0
221.02925	19.1
222.03160	1.4
239.03862	5.5
240.04128	1.1
259.08075	1.4
275.03955	7.6
276.04413	1.5
289.09134	1.9
293.04996	7.8
311.06012	3.4
312.06461	1.4
334.07794	1.6
384.24866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01847	4.0
55.05489	1.9
56.05015	3.5
57.03416	5.3
60.04504	4.7
61.02919	10.9
65.03915	2.8
69.03082	1.8
69.03420	24.3
69.07050	2.6
69.66787	9.6
70.06577	20.2
70.08124	1.2
71.04965	3.7
71.06915	1.2
72.08144	15.2
73.02893	4.3
73.08476	1.6
74.06068	2.3
79.05450	1.7
81.03401	8.0
83.01318	1.1
84.04469	6.2
84.08131	16.3
85.02891	97.0
85.08475	3.4
86.09689	37.3
87.04461	2.8
87.05549	1.8
87.10019	7.4
88.03956	1.7
91.03928	4.1
91.05450	5.7
93.03395	3.2
95.08567	2.4
97.02881	28.4
98.06022	1.3
99.04432	5.2
101.02488	1.2
102.05528	3.7
104.05301	2.3
105.07008	1.4
107.04913	1.8
109.02876	7.0
110.07133	4.2
111.04436	18.5
112.08761	1.6
115.08648	1.3
116.07056	2.0
120.08080	4.3
122.02688	3.9
123.08059	3.3
127.03890	28.2
129.10216	10.3
130.05019	1.3
130.10548	2.9
131.04907	1.5
133.06076	2.2
135.04387	27.6
136.07574	2.9
137.05983	2.2
139.03877	52.3
145.04932	42.6
147.07599	1.8
153.05370	1.3
162.07669	1.6
163.03893	16.7
163.05968	9.0
165.05376	1.6
180.08649	16.0
181.04927	100.0
182.05249	1.9
197.08061	1.3
198.07610	6.6
198.11218	1.7
199.18013	7.0
200.18404	3.5
213.16008	1.1
218.04829	1.2
221.03151	1.2
221.11687	3.8
222.84579	1.1
227.17563	3.8
228.17854	2.7
247.14864	1.5
271.09949	5.3
313.96112	1.2
325.09137	2.0
360.12714	6.0
360.17859	2.2
360.23077	1.6
360.26996	2.8
361.10999	1.6
369.39517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.9
56.05019	2.7
58.38945	0.4
60.04513	2.1
60.05645	1.0
61.01147	1.1
67.05505	0.7
69.03431	1.1
69.07056	6.1
69.27135	1.0
69.27541	3.0
70.02937	0.5
70.06582	23.8
71.04994	0.5
71.06921	1.5
72.08144	83.5
73.08490	2.0
74.02410	0.6
74.06064	1.8
76.00826	0.4
76.03988	0.7
79.05469	0.4
81.07048	0.5
83.06094	0.6
84.04488	4.9
84.08135	12.3
85.02901	2.4
86.09694	100.0
87.05593	1.0
87.10014	2.2
88.03974	1.4
91.05452	1.6
93.07068	0.5
95.04957	0.4
97.02870	0.7
100.07581	0.5
101.07109	0.5
102.05529	1.7
103.05450	0.5
104.05323	0.9
105.06998	0.4
107.08600	0.4
109.02854	0.5
109.06498	0.8
110.07164	2.7
111.04382	0.4
112.08722	2.3
114.09162	0.7
115.08663	0.9
116.07062	1.7
118.08635	0.6
119.04880	0.4
120.08083	1.3
123.78690	0.4
125.07072	0.8
127.03909	1.1
129.06638	0.6
129.10223	10.3
130.04979	0.7
130.06538	0.4
130.08611	1.1
131.04921	0.6
132.08060	0.5
132.10149	0.7
133.06047	1.0
134.03413	0.4
134.04448	0.9
136.07536	1.5
137.05942	1.5
138.09077	0.5
140.08160	0.5
143.11781	15.0
144.06560	0.6
145.04973	0.6
147.04317	0.6
147.07634	1.2
147.11263	1.3
153.10196	0.6
157.09656	0.9
157.13341	21.1
158.13695	0.7
159.09122	0.6
162.07622	1.0
163.03879	0.5
165.05409	0.5
171.11270	11.7
171.14929	0.5
175.10750	23.1
176.11024	0.5
179.06970	0.5
181.09776	0.4
183.14865	0.5
185.12830	16.1
185.16400	2.0
186.13200	0.5
187.10669	0.5
189.12318	21.8
190.04959	0.6
190.12643	0.9
197.08025	1.4
197.12837	0.7
199.18051	0.5
213.15923	1.0
226.11853	0.5
227.17621	0.4
239.17531	1.7
243.12637	1.4
260.15601	0.8
270.18033	0.5
279.09732	0.4
284.19601	5.1
324.68808	0.6
359.16785	2.2
359.22992	2.6
360.23431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51704	1.3
50.62170	1.4
53.03950	2.0
55.01852	3.8
55.05500	18.9
56.64930	1.5
56.83972	1.5
57.03427	2.9
57.07061	6.4
59.04990	4.1
60.04522	2.4
65.03938	2.3
67.05493	29.3
69.03416	7.3
69.06705	3.3
69.07056	42.7
70.06580	24.8
71.04982	10.7
71.08620	1.8
71.10207	2.1
71.10539	3.6
72.08124	4.7
74.06071	2.5
79.05472	18.4
79.34820	1.7
81.03416	1.6
81.07043	100.0
82.06557	1.8
83.04975	4.5
83.08607	13.4
84.04459	2.3
84.08126	10.2
85.02889	8.9
85.06520	14.1
86.09698	13.2
89.05986	3.0
91.05460	15.8
93.07034	46.9
94.06519	2.4
95.04397	2.0
95.04968	7.1
95.08590	85.4
97.02896	2.4
97.06529	8.4
97.10149	19.9
99.04462	3.4
99.08073	4.0
101.23871	1.6
104.05293	2.0
105.07016	19.6
107.08583	40.0
108.08121	3.8
108.08871	1.6
109.06498	5.6
109.10132	26.2
109.10816	2.7
110.07131	3.8
110.09628	2.2
111.08060	17.8
111.11700	10.0
115.07474	1.8
115.08658	2.1
117.07019	2.2
119.08573	13.7
120.08100	7.4
121.10119	27.8
122.09666	2.3
123.04386	1.7
123.08064	3.8
123.11684	53.7
125.09637	4.7
127.03906	5.2
129.10201	4.6
130.04970	2.0
131.08560	5.1
133.10098	10.1
135.08047	3.8
135.11673	15.5
137.05949	2.3
137.09586	3.0
137.13210	19.1
139.11166	13.4
141.12682	3.1
143.08563	2.7
143.10652	3.4
145.04955	5.0
145.10117	5.5
147.08043	2.0
147.11702	8.2
149.13226	38.1
151.11174	3.2
153.12740	6.5
155.14330	5.4
157.10133	3.4
157.12202	12.5
159.11691	4.3
161.09662	3.4
161.13246	6.2
163.14781	11.5
165.12764	2.5
167.14307	3.3
169.12219	2.7
171.11681	2.0
171.13820	2.5
171.32498	1.5
173.13232	3.2
175.14767	3.4
177.12735	2.1
177.44223	1.5
179.10583	2.4
181.08568	3.2
185.13222	2.0
187.13283	17.3
187.14804	2.3
189.16306	3.2
197.11620	2.3
203.12717	3.6
203.17816	2.1
209.15387	2.2
213.16295	2.2
220.16907	10.1
221.17218	3.1
222.18517	3.0
235.17010	2.1
238.15326	4.3
238.18005	14.5
239.18341	4.3
240.19579	11.4
246.87848	1.6
257.16919	1.7
259.24216	1.7
275.23822	1.9
277.25150	4.6
287.23672	2.6
293.24820	11.5
305.24704	41.7
306.25116	2.4
311.25571	1.7
323.25809	17.3
358.77722	13.4
359.90674	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	360.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78421	0.6
55.01856	1.4
55.05500	1.8
56.05014	2.2
57.03416	0.9
60.04509	2.5
60.05631	2.5
69.03427	3.3
69.07040	2.9
70.02927	1.0
70.06585	20.2
71.04971	1.1
71.06910	2.5
71.75141	0.9
72.08147	26.6
73.08472	0.9
74.06071	1.0
75.05579	1.0
75.82597	0.6
79.05490	1.0
81.03425	0.7
83.06115	1.2
84.04488	4.4
84.08131	23.5
84.92592	0.5
85.02893	12.3
85.08467	1.7
86.06047	0.7
86.09695	41.9
87.05575	3.6
87.10019	2.6
88.03975	3.5
89.03897	5.0
91.70762	0.6
95.00771	0.7
96.08105	1.0
97.02879	4.7
98.02396	1.1
98.06054	0.8
99.04475	0.9
99.05515	0.7
101.07125	1.4
101.10715	0.7
102.05510	1.3
107.04937	2.4
109.02863	1.6
110.06043	0.8
110.07158	3.9
112.08747	3.9
113.07140	0.6
115.08678	1.9
116.07094	2.9
117.03361	8.7
119.01923	1.6
123.05486	3.3
124.03992	1.0
127.03905	8.5
127.04912	1.0
127.08646	0.9
129.06584	0.9
129.10234	10.0
130.04967	1.1
130.08627	5.8
130.10611	0.9
131.01903	3.0
133.06090	2.2
135.03369	1.3
135.04401	21.6
136.06198	1.3
136.07544	1.0
140.08232	0.6
141.06587	1.7
141.10185	3.3
143.11804	1.1
145.02806	12.8
145.04950	7.4
147.07654	1.0
147.11255	8.6
148.06038	0.9
148.11569	1.4
149.02957	1.3
152.07063	1.1
155.11736	3.9
156.11328	1.1
157.13341	1.4
158.09218	2.7
161.02913	0.7
161.09190	0.6
163.03889	100.0
164.04277	1.6
169.06084	1.1
169.09764	1.0
169.15533	0.6
172.08333	1.2
173.03058	0.6
175.10638	0.8
175.11940	5.0
177.03993	1.0
183.11305	2.1
185.00975	1.1
185.03204	0.6
185.09108	0.6
185.16461	5.1
186.08592	3.2
186.12332	2.2
187.10916	0.9
188.07758	0.8
189.12329	0.7
193.03482	4.4
195.04977	1.7
198.07559	0.8
199.04620	0.6
200.10271	0.7
200.13902	11.8
203.01921	2.8
208.10294	1.5
209.02975	2.9
211.04515	1.5
213.06000	1.0
213.15982	2.6
214.09265	1.9
214.11765	1.0
221.02934	67.3
222.03044	3.2
225.16982	0.7
226.11873	0.9
228.13385	4.7
232.10333	1.4
239.03987	15.6
239.10419	0.7
244.04602	1.8
246.18205	1.1
247.04562	4.6
249.05963	0.8
256.12796	1.1
257.03052	0.9
257.05078	4.4
260.19711	0.8
262.05573	1.5
265.05508	1.5
268.13135	0.7
271.17386	0.8
275.03970	29.3
276.04276	1.5
280.06735	3.1
280.63202	0.6
283.06567	1.7
285.15454	1.6
286.07800	1.3
288.09360	0.9
291.03503	0.8
293.05035	23.9
294.05157	0.9
298.05569	0.9
300.09180	1.4
311.06104	17.7
311.09793	0.8
312.06201	1.0
313.03781	1.1
316.06604	1.4
318.10461	0.9
319.02771	0.8
334.07678	5.8
359.23816	6.4
359.26904	3.6
359.71173	1.2
360.11438	0.7
360.20032	1.5
360.23700	8.7
382.53711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05501	0.9
57.03413	0.7
59.04996	1.4
61.02913	0.6
65.03926	1.9
67.05487	0.7
69.07053	0.7
70.06575	2.5
71.01357	1.2
72.08143	4.7
73.02907	10.5
79.05466	0.6
81.07041	0.8
82.06539	0.3
83.01328	3.5
84.04490	0.4
84.08121	0.6
86.06052	0.3
86.09693	4.9
87.04459	5.0
89.02392	0.7
91.05466	100.0
92.05800	3.2
93.07040	0.5
94.06551	0.3
95.04953	0.4
95.08588	0.8
96.08101	0.7
102.00116	0.5
103.03927	0.9
105.05505	0.3
105.07008	0.5
107.04958	0.3
107.08594	0.4
108.08086	0.7
109.10177	0.4
115.03908	6.6
119.18727	0.2
120.08073	0.5
121.03909	0.2
122.09657	0.3
123.02679	0.4
124.11227	0.3
131.01578	0.5
132.10172	0.3
133.04944	45.6
134.05263	0.9
135.11652	0.2
137.04195	0.3
146.11725	1.0
148.07492	0.4
180.04750	11.6
181.05061	0.3
185.16484	1.0
186.72772	0.3
191.05476	2.9
208.04245	6.9
209.04501	0.4
212.56757	0.3
213.12433	0.3
213.15923	0.5
216.05074	0.5
220.16901	2.1
222.18488	0.7
226.05258	0.9
238.17981	3.5
239.07254	0.5
239.18391	0.7
240.19588	1.9
245.18620	0.6
304.23352	0.3
313.00797	0.2
313.16348	0.3
339.84085	0.3
340.08453	7.5
341.08771	0.4
357.77396	5.5
358.09515	3.6
358.23615	0.7
358.27661	2.9
358.77637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63876	0.2
55.01858	0.9
55.05492	0.4
55.51754	0.2
57.03425	1.4
64.60037	0.2
65.03921	0.6
67.05472	0.5
69.03415	0.7
69.07047	0.9
70.06581	2.2
70.34741	0.5
70.35155	0.6
71.01344	0.5
72.08125	0.3
73.02907	0.7
79.05460	0.6
81.07047	0.7
82.06576	0.3
83.04948	0.2
84.04492	0.5
84.08128	0.5
85.02888	0.9
86.06051	0.4
86.09699	2.1
87.04436	0.3
91.05466	55.9
92.05800	0.9
93.07017	0.3
95.08586	0.6
96.08112	0.4
96.50172	0.2
97.02862	0.5
97.08530	0.2
107.08609	0.3
108.08101	0.7
115.03938	0.3
116.10713	0.8
119.56942	0.2
120.08109	0.6
122.09612	0.3
132.08041	0.2
133.10046	0.3
137.05959	0.6
138.06322	0.4
148.06148	1.4
162.39737	0.2
199.17975	0.2
209.08263	0.4
213.58800	0.3
220.16928	1.5
221.17311	0.3
222.18497	0.7
226.10841	100.0
227.11174	2.9
238.17986	3.3
239.18472	0.5
240.19550	1.6
241.19749	0.3
268.69962	0.3
291.70398	0.8
292.20715	0.4
357.77368	4.7
358.15051	34.3
358.22211	1.7
358.27271	3.3
358.77472	0.5
359.15350	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03943	0.9
55.01854	1.3
55.05494	0.9
56.05011	0.6
57.03438	1.8
59.04976	0.7
61.02920	2.1
65.03912	0.4
67.05496	0.9
69.03422	6.3
69.07053	2.1
69.60953	3.6
70.02902	0.5
70.06584	10.2
71.04958	0.5
72.08147	3.7
73.02898	1.4
74.06051	0.6
75.05582	0.7
79.05489	1.0
81.03403	2.6
81.07038	1.6
82.90340	0.3
84.04489	0.8
84.08141	4.9
85.02893	24.5
86.09695	26.5
87.04453	0.7
87.05562	0.6
87.10027	0.7
88.03947	0.4
91.03941	0.9
91.05466	4.5
91.40142	0.4
93.07037	5.9
95.04958	2.3
97.02869	5.8
97.06478	0.6
99.04436	1.3
103.05457	0.7
105.07027	5.4
107.04864	0.4
107.08580	18.6
109.02860	3.1
109.06503	1.9
109.10131	1.9
110.07122	0.9
116.07083	0.5
119.04911	0.7
119.08543	1.9
120.08096	1.5
121.06523	1.8
121.10139	0.5
123.04395	0.5
123.11690	1.0
127.03912	5.4
127.08595	0.5
129.10228	2.9
130.10574	0.4
131.08588	0.7
132.10222	0.6
133.10107	18.3
134.10422	0.7
135.08014	0.9
135.11681	17.8
136.07553	2.5
137.05968	1.4
137.09575	1.1
141.10190	0.6
143.08546	0.6
143.11786	3.5
145.04926	3.5
147.11229	0.8
151.11157	1.1
159.09167	0.7
161.09601	8.8
163.11203	0.4
170.06015	0.6
171.11237	1.5
179.10654	31.2
180.10999	0.6
183.14867	0.5
189.12375	3.9
190.04988	1.1
197.11707	100.0
198.12030	2.9
199.18019	0.5
203.13998	0.4
228.13550	0.6
238.18106	0.7
245.12547	0.4
246.14404	0.8
284.19528	0.5
326.23193	0.4
358.71942	0.4
359.16968	0.8
359.26620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2994
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.98889	6.0
53.03944	7.7
55.05503	67.6
57.07071	55.8
66.69763	7.7
67.05492	70.6
67.90886	6.2
69.07060	77.3
69.08675	8.5
69.68093	64.2
71.08621	40.7
72.61290	5.9
78.50525	6.8
79.05473	36.2
81.07049	83.0
83.08608	69.1
85.06525	8.9
85.10163	29.0
91.05426	6.9
93.07034	47.5
95.08597	100.0
97.06524	25.0
97.10159	43.8
98.21520	15.0
100.23957	6.6
107.08596	39.2
109.10146	62.9
109.22509	6.4
111.08082	13.9
111.11713	16.8
121.10133	78.1
123.11673	13.8
135.11671	60.6
149.13225	31.9
151.14818	9.9
163.14841	11.4
164.98474	29.4
165.16403	15.6
178.71062	7.1
191.18089	7.8
247.24234	76.5
265.25195	89.5
283.26212	11.0
315.05396	8.4
339.28906	77.5
347.18777	10.8
357.11691	8.3
357.77438	13.6
358.27475	10.3
358.36786	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	357.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83061	1.7
55.05269	2.7
55.05506	36.2
57.03409	6.7
57.07068	20.4
57.22607	2.3
67.05495	39.8
69.07060	58.0
69.54065	11.9
69.54472	5.1
69.79333	1.7
70.06586	13.9
70.07376	2.3
71.04952	2.4
71.08617	11.3
75.58559	1.9
79.05486	19.9
81.07047	50.8
83.08141	3.2
83.08602	40.2
85.06521	3.8
85.10163	6.0
88.07626	11.7
93.07034	27.2
95.08595	45.6
97.06526	13.1
97.10159	27.7
99.08072	3.5
102.09158	4.1
106.08639	5.4
107.08555	22.0
109.10148	26.9
111.08043	4.6
111.11696	8.0
119.08548	2.0
121.10132	44.0
123.11681	10.1
125.09591	2.8
125.13286	3.1
135.11681	28.4
137.13213	5.8
139.11171	3.4
145.09987	2.2
149.13255	17.1
151.14778	6.7
153.12724	2.1
159.57443	2.4
163.14786	7.4
165.16345	6.2
177.16382	3.8
220.17029	3.8
222.18602	3.0
235.52899	2.2
238.17973	9.2
240.19655	4.8
247.24190	41.0
265.25256	46.1
274.56708	2.0
283.26257	3.7
339.28891	36.9
339.34186	5.5
356.76566	3.9
357.35498	100.0
357.77380	14.1
358.36789	2.9
384.09146	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	357.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.05030	1.8
57.07066	2.0
67.05500	1.5
69.07066	0.7
70.06583	0.6
70.39624	1.2
71.08617	1.2
79.05470	0.3
81.07060	1.1
83.08599	0.3
84.08132	100.0
85.08472	1.7
85.10178	0.7
87.04449	3.2
91.05456	1.7
93.07019	0.6
93.16754	0.2
94.06559	0.3
95.08573	1.3
96.08101	0.3
101.10729	0.3
105.07037	0.2
108.08109	0.2
109.10150	0.4
112.07600	0.3
119.08578	0.3
121.10179	0.3
122.09661	0.3
123.11670	0.2
126.45940	0.2
127.72980	0.2
129.10219	2.2
130.08627	9.7
133.10083	0.3
137.13211	0.3
147.11253	3.8
165.34920	0.2
220.16985	1.0
222.18550	0.5
238.18034	1.5
240.19603	0.9
294.27881	10.9
295.28253	0.9
301.50229	0.3
311.30585	0.6
311.61658	0.2
356.76590	0.6
357.31091	25.6
357.77295	2.8
358.30923	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	357.3146
Annotation	stellatic alcohol
Peak:m/z	Relative Intensity
53.03941	2.3
55.01849	2.6
55.05497	19.0
57.07057	6.1
58.79961	2.1
67.05491	30.1
67.80870	2.1
69.07057	22.9
70.06583	4.2
70.81085	5.0
71.04961	2.4
79.05473	24.8
81.07046	100.0
83.04990	2.8
83.08611	11.8
85.06521	4.2
85.31345	1.8
91.05427	12.5
93.07030	54.3
95.07980	4.7
95.08592	89.7
97.06505	4.1
97.10143	11.2
105.07016	32.9
107.07869	4.0
107.08578	58.7
109.06487	2.5
109.10142	57.9
111.08044	4.8
111.11714	4.0
117.07008	3.3
117.67570	1.8
119.08562	36.6
121.10135	49.7
123.08098	3.8
123.11688	29.6
125.09621	3.2
127.11180	2.6
131.08498	9.6
133.10114	22.8
135.11670	34.9
137.09618	2.8
137.13211	10.4
139.11180	6.3
143.08551	2.5
145.10101	16.1
147.11659	28.7
149.13248	45.9
151.11118	2.2
151.14813	3.3
153.12744	2.9
157.09964	3.2
159.11659	18.1
161.13226	22.4
163.14781	24.0
165.12778	2.5
165.16426	2.5
167.62712	1.9
171.11647	4.3
173.13243	12.2
175.14833	18.5
177.16295	9.6
185.13268	3.3
187.14784	9.4
189.16368	19.1
191.17923	10.7
193.15875	2.5
199.14807	3.5
201.16399	7.1
203.17903	12.8
213.16438	4.6
215.18002	9.4
217.19472	11.9
227.17870	2.2
229.19437	9.8
231.21121	5.5
233.19028	2.8
238.18002	2.6
240.19394	2.6
243.21045	4.5
245.22566	2.6
247.20670	2.6
257.22705	4.9
261.22116	2.5
269.22632	3.7
271.24255	2.5
275.23737	2.2
283.24130	2.7
287.16901	2.1
313.28909	3.9
339.30402	21.9
340.35742	3.0
342.35571	2.1
356.76663	2.9
357.28067	3.9
357.31503	95.2
357.77228	7.1
358.20435	2.4
358.32007	6.2
358.36780	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	357.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
56.04767	0.3
56.05016	1.5
58.06591	5.6
59.04983	1.1
60.04504	1.2
67.05502	1.8
68.05020	0.3
69.03410	0.7
69.07065	2.6
69.78869	2.2
70.02950	0.4
70.06582	32.0
71.06894	0.5
72.08147	3.4
74.06066	3.1
76.07662	0.3
79.05483	1.6
81.05792	0.3
81.07034	1.6
82.06551	1.3
83.06075	1.0
84.04497	3.5
84.08131	6.6
85.02898	0.4
86.09694	8.9
87.05574	1.7
87.10027	0.5
88.03972	1.7
91.05467	1.2
93.04538	0.3
93.07046	1.8
94.06553	2.2
95.04922	0.4
95.08592	0.9
96.04544	0.3
96.08125	2.1
97.06519	0.3
97.10178	0.3
98.21445	0.7
101.07114	0.7
102.05523	3.0
105.06994	0.9
106.05017	0.5
107.07346	1.6
107.08561	1.4
108.08109	3.2
109.06474	0.6
109.10160	0.6
110.07157	3.1
110.09662	1.4
112.07581	0.8
112.08707	0.4
115.08673	0.8
116.07079	2.6
119.08620	1.5
119.91775	0.3
120.06586	1.6
120.08076	1.6
121.08928	0.4
121.10145	0.5
122.09663	3.2
123.10408	0.4
124.11220	0.8
127.08676	4.7
127.09614	0.5
128.25624	0.3
129.06563	0.4
129.10228	3.6
130.04955	0.4
130.08620	0.4
131.08589	0.3
132.10181	1.1
133.06059	2.1
133.10085	0.9
134.04567	0.3
134.09615	0.8
135.08073	0.3
135.11655	0.6
136.07545	0.9
136.11234	0.5
137.05939	0.7
140.08064	0.3
141.10201	0.3
143.08534	0.6
143.11751	0.4
145.10130	0.9
147.04308	0.4
147.07626	1.7
147.11319	0.4
152.07039	0.4
154.08575	0.3
155.08128	3.8
156.07672	0.5
162.12657	0.3
163.03967	0.6
163.11211	0.5
171.11234	0.6
174.12704	0.4
179.12816	0.9
181.04900	0.4
181.09660	0.7
183.11368	0.5
183.14877	0.7
185.13130	0.4
187.10809	2.4
192.17480	0.7
197.12889	0.9
202.15924	1.3
209.09256	0.5
214.15558	0.6
218.15413	1.6
220.16934	25.9
221.17290	1.1
229.15453	0.5
236.16377	0.4
237.19733	0.8
238.17986	26.9
239.18375	1.3
240.17076	0.6
242.14931	0.5
255.20558	0.5
256.19049	15.9
257.19431	0.9
268.16504	1.4
277.22736	3.7
285.16943	0.4
295.20297	1.6
295.23734	19.1
296.24100	1.2
313.21210	4.3
321.21832	0.7
339.15848	0.6
339.22879	6.9
357.23825	100.0
358.24176	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	357.2993
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05502	65.8
57.03433	11.5
57.07065	45.8
62.89370	3.0
63.24023	2.7
67.05129	4.2
67.05494	80.1
68.48129	3.0
69.07054	100.0
70.06581	8.8
71.04976	3.7
71.08617	22.4
71.48170	3.3
71.48513	5.3
71.61132	2.9
74.22055	3.1
79.05480	33.0
81.07041	90.9
83.08607	65.9
85.06552	5.7
85.10161	14.2
87.04473	17.7
88.07639	12.0
91.05456	3.3
93.07021	53.4
93.07542	3.8
95.08594	81.3
95.09155	5.1
97.06493	22.5
97.10153	43.2
99.08096	4.6
102.09200	3.3
105.07007	5.1
106.08682	4.8
107.08578	43.1
109.10141	52.4
111.08078	8.1
111.11712	15.9
119.08620	3.6
121.10129	78.9
123.11694	17.6
125.09614	5.4
125.13291	4.0
126.69154	2.9
129.05489	3.4
130.37857	3.3
132.48737	2.9
135.11676	57.7
137.13271	8.2
139.11192	7.0
149.13254	27.1
151.14825	11.0
163.14825	14.0
165.16400	10.5
177.16409	8.4
191.17905	3.2
195.17407	4.1
238.18062	5.8
247.24152	80.9
265.25223	88.4
283.26202	6.4
339.28943	73.4
340.29321	6.2
340.35684	3.2
357.28033	3.3
357.35504	46.7
357.77560	11.1
358.36649	30.6
369.69543	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	356.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05503	2.0
56.05025	1.0
56.79342	0.4
57.07064	0.4
58.06573	0.5
58.24624	0.3
59.63659	0.3
60.30587	0.4
65.36820	0.4
67.05485	1.0
69.03417	0.4
69.07053	1.8
70.06579	12.6
71.04983	0.4
71.59203	0.6
72.08131	0.8
79.05482	1.5
81.07044	2.1
82.06587	0.6
84.04491	20.9
84.08126	1.5
86.09689	100.0
87.10021	0.6
91.05441	1.9
93.07042	1.8
94.06544	0.9
94.83492	0.4
95.04942	0.5
95.08601	1.7
96.08071	0.7
97.06541	0.5
97.10168	1.0
97.68588	0.4
98.10499	0.4
100.11232	0.7
102.05555	0.6
105.07015	1.1
106.07413	0.4
107.04885	0.7
107.08582	1.3
108.08095	0.8
109.10136	1.3
110.07157	0.7
110.09727	0.5
110.10458	0.6
111.08039	0.6
113.07101	0.8
114.09190	0.6
119.08556	0.6
120.08105	1.4
121.10098	0.9
122.09628	0.6
123.11747	0.4
125.09697	0.4
129.06595	1.6
129.10248	1.0
130.05032	0.5
132.10176	49.2
137.05971	1.6
141.06609	1.3
145.10088	0.7
146.11841	0.7
147.11583	0.5
152.10704	0.6
163.11177	0.6
165.09045	0.5
183.14984	1.1
197.07053	0.9
197.12819	20.9
200.08997	0.4
211.14420	1.3
215.13931	0.6
220.16948	1.7
222.18495	0.8
225.12300	3.5
238.18008	3.6
239.18759	0.8
240.19545	2.7
243.17029	2.3
245.18571	1.4
256.19205	0.5
282.19135	0.5
292.07190	0.5
320.23117	0.6
338.19843	0.4
355.58334	1.3
355.70227	1.0
355.91745	0.8
356.25327	1.2
356.76627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03926	1.5
55.05501	23.4
57.03432	6.0
57.07070	10.9
65.03937	1.3
67.05495	72.7
69.07059	32.1
69.63319	10.2
70.06583	1.8
71.04984	1.8
71.08624	6.1
77.75375	1.2
79.05482	19.9
80.67743	1.4
81.07043	100.0
82.07422	1.3
83.08604	25.1
84.71566	1.2
85.06529	3.0
85.10171	2.8
88.07632	1.7
91.05449	17.0
93.07027	25.2
95.04934	1.7
95.08595	79.8
97.06507	7.1
97.10163	18.8
99.08087	4.1
105.07025	12.5
107.08578	20.7
109.09448	2.5
109.10143	40.3
111.08034	3.7
111.11708	5.4
113.09647	2.0
119.08566	14.1
121.10130	26.6
123.07990	1.6
123.11690	23.2
125.09605	1.6
125.13261	1.8
127.11275	1.8
129.05470	1.4
133.10117	17.5
135.11667	14.6
137.09627	1.6
137.13219	10.8
139.11143	1.7
141.12689	2.8
147.11679	12.9
149.13235	13.8
151.11194	1.9
151.14787	7.9
153.12718	1.2
155.14288	2.7
161.13229	12.9
163.14775	13.5
165.16321	9.2
167.14371	1.5
175.14801	11.2
177.16382	2.9
179.17924	4.0
181.15779	2.4
189.16373	4.7
203.17894	1.9
207.17197	1.2
217.19511	1.7
245.22624	53.6
246.22993	2.0
247.24202	2.3
263.23669	61.0
264.24002	2.7
281.24716	1.7
337.27322	33.1
338.27762	2.3
355.28540	6.2
356.35156	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	356.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01864	6.2
55.05497	3.5
56.05031	6.7
57.03427	4.9
60.04522	7.4
60.05656	1.2
61.02922	5.8
62.06083	1.6
62.58470	1.1
67.05508	2.2
68.04993	1.3
68.99794	1.8
69.03421	29.9
69.07053	2.2
70.02954	2.2
70.06583	88.4
70.07757	6.9
71.04979	3.4
71.06919	2.1
72.08148	22.6
73.02910	6.1
73.04734	1.1
73.06545	15.8
74.06075	4.8
79.05482	1.1
80.05038	1.2
81.03413	20.0
83.04961	1.2
83.06097	5.7
84.04500	15.7
84.07622	1.3
84.08134	46.3
85.02895	100.0
85.08482	3.0
86.03221	1.6
86.06060	2.1
86.09699	28.8
87.00819	44.6
87.04460	1.4
87.05579	4.8
87.10036	1.8
88.03999	5.0
90.05524	1.3
91.03938	1.7
91.05424	3.1
91.05870	2.1
93.04516	3.1
95.06099	3.5
95.08607	1.7
97.02879	28.0
98.06058	1.6
98.20863	1.4
99.04446	12.2
101.02404	1.3
101.07082	2.4
101.10796	1.4
102.05542	4.0
104.05303	1.7
105.01856	90.1
106.05001	1.2
107.04942	2.0
109.02117	1.1
109.02245	0.5
109.02865	25.3
110.07152	55.1
111.07479	1.5
111.09188	1.3
112.07571	1.0
112.08724	3.8
113.09651	2.1
115.03961	1.1
115.08676	2.6
116.07087	4.1
117.01846	2.3
119.04937	3.7
120.08096	8.0
122.06055	1.6
122.07047	1.0
123.04494	1.3
124.07584	1.0
126.05509	1.5
127.03905	70.8
127.08719	2.4
129.01811	1.4
129.10223	30.4
130.05003	2.8
130.08650	1.2
131.10675	2.6
132.10197	1.7
133.06096	4.9
135.08011	1.4
136.07564	6.9
137.05962	5.8
138.06407	4.0
139.03998	1.3
139.08723	1.3
141.10233	3.6
144.06622	1.3
145.04942	28.3
147.02873	1.6
147.04395	5.8
147.07733	1.0
147.11328	1.3
148.04752	6.4
148.05870	1.7
149.02335	1.4
149.04175	1.0
153.06529	1.4
155.08156	2.0
156.07683	11.0
159.02884	9.3
159.11353	1.1
163.03909	2.8
164.07091	1.8
166.06029	1.2
169.09680	2.8
173.09261	3.7
176.07071	2.8
177.05389	1.6
177.11142	1.1
178.13440	1.1
179.07007	1.7
180.07552	1.1
180.11462	1.1
181.09769	1.8
183.15010	1.8
187.10771	1.9
187.14366	1.3
189.03825	1.5
194.08157	2.7
195.02907	11.1
197.12910	1.4
199.09526	1.3
209.09178	2.3
213.03957	4.6
213.12415	1.6
218.05284	1.6
220.16875	1.1
223.15608	1.9
226.11914	1.8
227.09966	1.3
231.04980	23.7
237.13516	1.5
238.18057	1.4
244.12802	1.7
246.15862	1.1
249.05998	11.5
251.15030	3.8
253.09245	1.1
257.97775	1.5
258.97189	1.4
264.05768	2.5
277.15823	2.1
282.17966	1.1
286.17691	1.6
339.20224	1.6
340.28293	1.1
346.70236	1.2
347.69699	1.6
356.07162	1.9
356.19647	4.5
356.23593	1.4
357.21252	1.3
369.87283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.73651	1.4
55.01865	1.9
55.05257	2.1
55.05501	27.3
56.62617	1.6
57.03415	6.1
57.07064	12.4
59.04995	1.5
60.51501	1.4
65.03914	2.5
67.05491	80.3
69.06713	2.5
69.07058	35.7
69.09732	1.6
69.78653	1.6
70.46165	6.2
71.04986	2.6
71.08607	4.7
78.15547	1.7
79.05482	25.7
81.07042	100.0
82.07349	1.9
83.04951	3.2
83.08607	24.9
83.85326	1.5
85.06519	4.1
87.32369	1.4
91.05443	16.5
93.07025	32.0
95.04908	2.2
95.08587	89.5
96.08926	1.7
96.34495	1.8
97.06501	9.0
97.10149	15.6
99.08070	2.0
105.07021	15.4
107.08570	20.8
109.06489	2.2
109.10136	44.5
110.89926	1.5
111.08071	4.3
111.11688	4.0
113.09605	2.0
116.36734	1.5
119.08563	14.4
121.09307	2.9
121.10122	34.0
121.11014	2.1
123.08035	2.3
123.11684	22.3
125.09567	2.4
125.13193	1.7
127.11165	1.9
129.74507	1.6
133.10101	16.7
135.11655	14.8
137.13199	8.0
141.12724	1.5
143.91377	1.3
147.11665	14.5
149.13219	13.3
149.95949	1.6
151.11217	1.9
151.14798	6.6
155.14243	2.7
161.13213	16.3
163.14784	13.4
165.16353	10.4
169.68690	1.5
175.14795	11.2
177.16425	2.4
179.17932	6.3
189.16350	5.1
193.15839	1.9
203.17986	1.7
223.54959	1.5
245.22597	44.5
263.23648	52.2
264.23907	1.8
337.27338	30.6
355.28183	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03933	2.0
55.05508	24.1
57.03433	8.3
57.07069	15.5
60.28910	1.6
64.45206	1.6
65.03956	2.1
67.05500	79.9
69.07064	35.2
69.99033	10.3
71.04978	2.9
71.08615	6.6
71.29828	1.7
76.94479	1.6
78.11931	1.9
79.05484	22.6
81.07048	100.0
82.07377	1.9
83.04977	2.5
83.08615	29.4
85.06528	3.3
85.10174	3.0
91.05467	17.3
93.07035	32.2
95.08597	91.5
97.06510	7.7
97.10154	18.7
99.08080	4.3
105.07034	12.9
107.08583	20.9
109.06448	2.5
109.10146	51.6
111.08055	5.8
111.11707	7.6
113.09614	2.2
119.08581	12.3
121.10129	22.0
123.11690	27.3
125.13254	2.8
127.07548	1.7
133.10124	20.0
135.11667	14.3
137.09644	3.8
137.13255	8.2
139.11131	2.7
141.12695	3.2
147.11687	12.0
149.13257	10.7
151.11151	2.2
151.14778	6.5
155.14197	2.1
161.13246	17.5
163.14799	13.3
165.16428	10.1
167.14314	3.5
175.14783	11.3
177.16446	2.0
179.17938	5.7
189.16354	5.9
193.15894	3.2
200.76408	1.6
203.17859	1.8
217.19565	1.9
245.22627	60.8
246.22917	3.7
247.24153	2.3
263.23688	65.9
264.23990	4.9
282.59000	1.9
320.70432	1.7
337.27362	49.0
338.27679	2.2
342.59677	1.8
355.28342	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79945	1.6
53.03922	3.0
54.82286	1.8
55.01851	1.6
55.05264	2.0
55.05507	29.2
57.03425	9.2
57.07072	17.7
58.14814	1.7
65.03919	3.5
67.05499	87.5
69.06680	2.2
69.07057	42.5
70.02345	3.6
70.02767	7.4
70.06581	10.5
70.12986	2.0
71.04979	4.0
71.08621	9.4
79.05479	22.4
81.07049	100.0
82.07355	2.9
83.04952	2.4
83.08601	28.0
85.06531	5.0
85.10165	3.5
88.07626	10.6
91.05443	19.5
93.07024	29.5
95.04964	2.3
95.08595	90.3
97.06528	10.4
97.10160	19.2
99.08062	3.4
102.09181	4.8
105.07013	14.7
105.14169	2.0
106.08637	5.3
107.08583	23.2
109.06492	2.2
109.10146	50.4
111.08055	6.7
111.11691	5.9
119.08581	16.4
121.10116	25.9
123.11697	25.0
125.09566	2.1
125.13200	2.1
127.11204	1.9
133.10095	14.2
135.11699	15.3
137.13260	10.1
141.12685	3.8
145.80200	1.9
147.11653	12.9
149.13255	15.4
151.14767	7.6
161.13257	18.1
163.14827	15.7
165.16365	8.0
167.14322	2.3
174.50046	1.9
175.14833	13.1
177.16383	2.8
179.17944	5.0
189.16289	3.9
193.15836	2.5
194.99068	2.0
203.17862	1.8
227.12732	2.6
245.22639	52.2
263.23666	62.7
263.29611	1.9
337.27362	39.4
338.27643	3.9
338.34155	3.0
355.28357	9.2
355.33722	4.3
356.35196	85.8
367.11945	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44059	0.4
55.05500	1.0
65.03915	0.7
67.05478	2.2
69.03418	0.9
70.06586	1.8
71.04960	0.5
71.39802	1.1
74.06087	0.5
74.46268	0.4
75.42964	0.5
77.03929	0.6
79.05513	0.4
80.05032	0.4
81.03420	1.5
82.06570	6.5
84.04500	0.7
86.09706	0.6
86.87345	0.4
91.05448	0.7
98.06077	1.4
99.04456	0.9
108.08110	0.7
110.06026	15.6
122.06021	0.8
126.05502	6.9
127.03901	0.5
128.07091	1.9
136.07562	50.1
137.05983	0.6
137.07971	1.0
138.05469	2.4
140.07010	1.1
152.07031	2.1
156.06551	0.7
164.07051	100.0
165.07341	1.5
170.08113	0.5
182.08110	92.9
183.08438	3.1
198.09126	0.5
203.04463	1.2
221.05516	3.4
228.10110	0.6
256.09796	1.1
259.10687	1.7
276.08667	0.5
283.10831	0.6
301.11838	1.1
302.10156	2.3
319.09293	0.8
319.12701	4.8
320.11172	1.3
337.10040	1.7
337.13837	1.7
355.11182	1.1
355.15021	1.2
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
51.47028	0.4
53.03943	0.5
55.05520	0.9
65.03890	0.4
67.05496	2.8
67.05808	0.4
69.03426	0.8
70.03012	0.5
70.06583	3.3
71.03125	0.8
71.03513	0.7
72.08144	0.9
73.04771	0.4
74.06059	0.5
74.48489	0.4
82.06573	5.5
84.04501	0.9
84.08136	1.7
86.09712	0.8
91.05807	0.7
93.07045	0.6
95.04984	0.8
98.06072	1.3
107.04939	0.5
108.08118	0.7
110.05262	0.8
110.06029	16.8
110.07176	1.2
111.06335	0.4
120.08078	0.8
120.78615	0.4
122.06033	0.8
124.07551	0.5
126.05493	7.1
128.07062	2.3
129.10220	0.5
135.04388	0.4
136.07561	51.1
137.05962	0.4
137.07893	1.1
138.05458	2.0
140.07001	1.0
152.07024	1.9
156.06523	0.8
163.03926	1.2
164.07048	100.0
165.05424	0.5
165.07394	2.0
182.08107	94.5
183.08412	2.4
184.05888	0.4
186.08846	0.4
189.50746	0.4
191.90755	0.4
212.96797	0.4
214.08565	0.7
221.05522	0.5
230.07921	0.9
256.09549	0.7
259.10678	1.6
301.11786	1.1
302.10049	1.7
319.12836	2.2
320.11145	1.3
337.13898	1.1
355.10168	1.0
355.14835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66753	0.5
53.03936	2.8
53.63346	0.5
54.83246	0.5
55.01871	4.6
55.05517	0.7
56.05038	0.7
57.03422	3.0
60.04519	1.4
61.02922	1.1
67.05494	2.0
69.03422	22.3
70.06585	10.0
71.01340	0.9
71.04985	9.4
71.51563	1.0
72.08137	1.7
73.02906	1.2
73.04745	1.7
74.06066	0.9
75.04478	0.7
81.03407	32.3
81.07056	0.6
82.06575	3.6
84.04485	2.5
84.08129	4.3
85.02888	1.6
85.06524	0.9
86.09684	3.0
87.00831	1.0
87.04472	0.9
88.03988	1.0
91.05823	6.4
93.95206	0.5
95.06043	0.6
96.81627	0.5
97.02827	0.7
98.06017	1.1
99.04442	11.3
99.10625	0.5
103.05453	0.8
105.01878	0.6
107.04914	0.7
109.02862	0.7
110.06030	9.3
110.07182	2.9
116.07060	0.9
117.05468	4.0
119.04916	1.0
120.08099	4.0
121.07657	0.6
121.08446	1.7
122.05994	1.0
126.05508	3.0
127.03873	1.9
128.07031	1.0
129.10242	2.8
130.02913	1.3
131.06021	1.0
133.07605	1.0
135.04382	1.3
136.07556	29.3
137.05943	2.8
138.05440	1.2
140.07051	1.0
147.04399	3.1
147.05528	3.9
148.03917	2.5
149.07077	1.7
150.05519	0.6
152.07095	1.6
157.03955	5.1
159.05521	1.1
163.03905	2.1
164.07043	47.5
166.71928	0.7
173.07153	1.3
175.05005	4.6
177.06604	10.1
179.06880	0.7
182.08104	48.7
201.10138	0.6
203.04489	21.4
205.06036	6.5
221.05548	100.0
222.05789	1.5
231.05008	0.6
238.96381	0.7
256.97458	2.1
259.07043	0.9
259.10931	0.9
263.06247	0.9
268.97733	1.9
285.00900	2.1
301.08398	1.5
301.11783	0.7
303.02060	1.0
319.09171	11.5
319.12827	3.3
320.11429	0.9
337.10254	39.8
337.13666	1.4
355.07031	3.5
355.11270	41.5
356.11600	1.0
373.08096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.336
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05505	8.2
56.04998	1.4
57.07068	11.0
58.02940	1.3
58.06589	18.3
60.04498	3.7
67.05491	7.6
69.07060	14.4
70.02939	1.8
70.06559	5.0
70.80650	2.4
70.81022	2.5
71.04942	1.7
71.08613	7.4
72.04506	2.1
74.06062	2.0
79.05472	1.9
81.07036	10.3
82.06542	1.3
83.05041	1.3
83.08615	10.0
83.52096	1.1
84.08111	5.0
85.10165	2.7
86.06033	3.6
87.04427	1.3
87.06824	2.1
88.07593	1.9
93.07030	2.3
95.04945	1.6
95.08587	11.2
97.06518	1.3
97.10168	8.2
97.10667	1.3
103.07570	1.6
107.08537	1.9
109.10130	5.0
111.11689	3.8
118.58792	1.3
123.08050	1.8
123.11688	3.2
137.79628	1.2
144.96490	1.7
144.99217	1.1
179.27272	1.2
186.40762	1.2
192.76761	1.2
268.29831	2.1
294.31461	1.5
307.29849	2.1
308.33127	1.9
326.34076	3.8
336.32611	8.8
354.33600	100.0
355.33905	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	354.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01866	6.3
55.05503	2.8
55.85205	0.6
56.05025	1.6
57.03426	5.4
58.06596	1.0
59.05006	0.8
60.04512	1.6
61.02922	5.3
62.06083	0.7
63.77547	0.6
65.68463	0.6
66.22935	0.7
67.05496	3.2
68.04996	1.0
68.25089	0.5
68.99771	3.1
69.03419	33.4
69.07049	3.3
69.95393	2.6
70.06582	14.5
71.01305	0.8
71.04991	3.9
71.08634	1.1
71.63758	0.6
72.08151	4.1
73.02908	5.5
74.06065	1.2
74.81726	0.6
76.66588	0.5
79.05487	2.7
79.66306	0.6
81.03403	18.5
81.03851	1.3
81.07058	3.4
82.06567	1.8
83.01324	0.6
83.04959	1.0
83.08586	1.3
84.04489	3.2
84.08132	5.1
85.02892	100.0
85.08418	0.7
86.03233	1.3
86.09695	6.2
87.00814	40.3
87.04473	1.2
91.03938	0.8
91.05469	2.4
91.26268	0.6
93.07030	2.6
94.06548	1.1
95.04990	0.7
95.08591	2.8
96.08114	2.2
97.02878	31.7
98.09664	0.8
99.04446	12.3
99.05026	0.5
100.11237	1.8
101.02347	1.2
102.05530	0.7
103.03893	0.8
103.68330	0.7
105.01850	88.3
105.06996	1.4
107.07334	0.9
107.08590	2.1
108.04456	2.4
108.08105	2.6
109.02866	24.6
109.08903	0.6
110.05994	0.7
110.07159	1.9
110.09698	0.8
115.03898	1.8
117.01853	2.4
118.67469	0.6
119.08530	1.0
120.08083	7.1
121.10175	1.0
122.09662	1.7
126.05453	1.6
127.03897	76.9
129.01828	2.8
129.10219	2.6
131.08530	1.4
133.10088	0.7
136.07556	1.4
137.05983	1.7
137.24152	0.6
145.04932	34.1
145.10086	1.1
147.02847	2.9
147.04350	1.1
153.01799	1.7
159.02861	12.1
160.07622	0.7
171.02829	1.8
173.57861	0.8
177.03899	1.2
183.02815	0.7
189.03951	3.7
197.09909	0.7
197.11708	1.5
200.10498	0.9
204.13788	0.7
209.16473	1.5
213.03902	2.7
218.15268	0.9
220.16960	6.5
221.17313	1.2
222.14975	0.6
222.18440	2.8
225.10133	1.1
230.06514	1.1
231.04964	26.0
232.05278	0.8
236.16365	1.4
238.17987	12.1
239.18532	3.0
240.19577	8.3
241.19839	0.7
242.31870	0.6
246.17628	0.9
248.07523	1.5
248.16542	1.1
249.06039	9.3
255.18213	4.2
255.68321	0.8
256.19031	2.0
266.17499	8.9
266.67560	2.2
267.18204	1.6
272.18381	1.0
276.15851	1.2
282.50577	0.7
303.69498	0.7
304.70361	9.2
305.20660	2.8
318.20679	0.8
319.13882	0.9
336.22391	1.8
345.18451	1.4
353.58255	1.5
353.69412	1.4
354.18997	10.7
354.69226	2.8
355.07428	0.7
355.19708	1.1
369.21689	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	354.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.7
56.05012	1.9
57.98782	1.0
58.06596	0.7
58.99577	13.4
60.04508	0.8
65.03934	1.4
67.05486	2.7
68.05010	1.1
69.07040	1.5
70.06589	7.8
71.43071	1.3
71.99082	2.0
72.08136	1.4
74.00671	0.7
76.02215	72.4
79.05479	1.7
80.05006	1.9
81.07039	3.1
83.08586	1.0
84.04491	40.5
84.08119	2.7
85.02885	0.9
85.04779	0.7
86.09680	3.4
91.05463	100.0
92.05789	2.5
93.07021	1.3
94.06570	0.8
95.08591	2.2
101.07120	1.8
102.05513	1.0
105.07027	1.2
107.08553	0.8
108.08103	1.6
109.10143	1.0
110.07143	1.2
115.05501	0.8
117.97809	1.9
118.06528	0.7
120.08097	2.8
121.10162	0.7
123.02623	5.7
125.07107	3.7
129.10249	0.7
130.04979	35.6
131.05324	1.0
131.08514	0.7
132.08040	0.6
135.02617	2.5
137.04176	0.9
137.05914	0.8
142.03197	4.4
147.07614	22.8
149.04190	2.5
152.98257	16.8
159.05907	0.6
161.09663	0.6
164.05267	21.3
165.05545	1.1
166.06828	1.9
171.07620	3.4
173.09204	1.8
182.00899	4.8
185.17326	0.6
188.03763	2.2
205.06422	1.9
208.02461	30.4
209.02820	0.8
218.15440	0.9
220.16937	3.0
222.18561	2.3
223.18977	0.6
225.05107	55.4
226.05408	2.1
226.10872	0.8
229.06152	1.3
238.17984	3.2
239.11829	0.8
240.19537	8.8
241.19965	2.5
247.18489	2.7
247.68690	7.4
248.18871	1.5
304.70563	5.6
305.20721	2.0
320.17874	0.7
322.72369	0.7
345.18494	1.2
353.69165	1.8
353.90634	0.9
354.09302	6.6
354.19312	2.4
369.21902	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	353.2679
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.57697	2.7
55.05496	12.8
57.07053	4.6
67.05502	16.9
69.07059	18.8
70.06580	15.6
71.04961	5.3
72.08141	5.0
79.05452	15.6
79.23163	3.0
81.07043	50.2
83.08621	6.4
84.08137	8.3
84.38837	2.8
85.06528	10.0
86.09685	5.3
91.05466	30.3
93.07027	28.5
95.04911	4.7
95.08594	39.9
96.08110	4.6
97.02888	3.6
97.06516	8.2
97.10151	11.6
105.07020	23.3
107.08561	27.1
108.08099	7.7
109.06506	10.1
109.10125	30.3
110.07149	3.4
111.08018	5.9
117.06956	4.5
118.06519	18.3
119.08563	13.8
120.08079	4.4
121.10126	20.5
122.09604	4.2
123.08044	7.5
123.11674	18.6
125.09641	7.9
127.07513	4.7
128.80617	3.4
131.08546	8.0
132.08083	4.8
133.10132	12.4
135.11664	18.4
137.09631	6.3
143.07210	3.7
144.08075	9.0
145.10077	8.7
146.05981	54.2
147.11682	9.6
149.09590	5.1
149.13237	15.5
151.11188	11.5
153.12646	4.1
159.09187	5.5
159.11690	11.9
161.13252	11.0
163.14838	3.8
170.05981	12.2
171.11546	3.5
173.13261	7.9
175.14888	6.9
177.12805	3.5
182.23373	3.2
188.07031	100.0
193.58586	2.9
201.16438	4.1
205.09689	22.4
210.63911	3.0
219.17451	6.0
220.16911	6.9
222.18500	4.5
226.10866	4.2
235.14761	3.7
238.17961	13.8
240.19576	11.2
289.25211	10.4
299.23712	10.2
303.69754	26.3
304.20004	11.2
304.70554	11.9
317.24695	64.0
318.24982	8.9
335.25803	68.9
336.26001	7.5
352.89850	5.8
353.25522	5.3
353.68982	4.2
369.21573	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	353.2678
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03918	2.2
55.05492	10.1
57.03420	4.6
57.07060	4.1
65.03920	2.2
67.05492	82.1
69.07053	12.1
69.56303	14.5
71.04976	2.1
71.83133	1.9
74.65975	1.6
79.05482	32.9
81.07044	92.0
83.08606	9.1
85.06548	3.5
91.05456	15.9
93.07026	49.6
95.04948	3.1
95.08593	73.4
97.06487	1.9
97.10159	3.7
98.21017	6.2
102.96683	1.8
105.07008	14.3
107.08577	34.0
109.06489	2.1
109.10138	38.4
111.08061	2.7
117.07008	5.9
119.08566	14.4
121.10133	27.8
123.08027	2.0
123.11668	20.8
131.08551	16.4
133.10092	15.4
135.11678	28.8
137.13251	9.0
139.11148	2.8
145.10094	12.8
147.11639	9.1
149.13220	21.8
153.12761	2.7
159.11697	13.3
159.12976	2.8
161.13216	9.9
163.14796	13.7
165.12714	2.5
173.13210	15.8
175.14842	4.5
177.16359	6.0
187.14786	11.5
201.16301	3.0
205.15872	2.5
219.17322	2.4
233.22665	4.6
243.21045	27.7
261.22095	100.0
262.22311	3.5
279.23254	7.7
335.25790	15.8
353.26779	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15515	1.4
53.03936	2.6
55.05504	11.0
57.03434	3.7
57.07072	3.7
63.69597	1.6
67.05495	67.4
68.05853	1.6
69.07058	12.1
69.61959	10.1
69.62385	4.0
71.04990	2.1
71.08598	2.7
79.05482	33.6
81.07047	73.1
82.07375	1.7
83.08606	7.4
85.06512	2.6
91.05469	16.7
93.07034	48.4
95.08595	59.0
96.08926	2.4
97.06493	3.0
97.10152	3.7
98.20847	2.3
99.08093	2.1
105.07020	12.5
107.02083	1.4
107.08573	28.8
109.10133	32.4
111.08073	2.3
113.09601	1.9
117.06980	8.1
119.08560	11.2
121.10123	30.4
121.60024	1.7
123.11692	19.1
131.08553	18.1
133.10123	13.5
135.11678	29.2
137.13242	5.8
145.10115	14.6
147.11684	10.9
149.13242	20.7
153.12761	2.2
159.11671	14.1
161.13235	10.9
163.11209	2.4
163.14803	14.9
173.13237	17.7
175.14795	4.0
177.16405	5.8
187.14848	9.1
187.84203	1.5
201.16302	3.5
210.17651	1.4
233.22623	4.4
243.21065	24.9
244.21350	2.2
261.22107	100.0
262.22446	7.9
279.23419	2.4
335.25659	9.7
353.26785	35.0
354.27191	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94844	1.3
53.03929	2.7
55.01882	1.5
55.05503	12.1
57.03420	4.6
57.07054	4.7
57.76601	1.4
59.04984	1.4
63.31976	1.6
65.03931	3.7
67.05495	78.0
68.05805	1.7
69.07059	12.4
70.06585	5.0
71.04978	3.8
71.08611	3.5
71.27381	3.1
79.05484	42.3
81.07048	84.6
82.07378	2.5
83.04955	1.9
83.08621	8.0
83.09039	1.5
85.06534	3.1
91.05467	19.3
92.05756	2.2
93.07034	58.9
94.07359	3.2
95.04955	5.2
95.08594	69.8
97.06492	2.6
97.10164	2.8
99.08073	4.0
105.07026	16.3
106.08602	1.5
107.08578	39.2
109.06520	3.9
109.10146	32.4
111.08022	1.9
113.09665	1.9
117.06979	9.4
117.80245	1.3
119.08578	12.6
121.10133	37.2
123.08055	2.2
123.11694	17.1
125.09648	2.7
131.08559	24.3
133.10132	15.7
135.08000	1.6
135.11667	26.3
137.13223	7.2
145.10103	19.2
147.11662	11.9
149.09641	1.7
149.13229	21.9
151.14799	3.9
153.12740	2.5
159.11691	15.5
161.13199	8.9
163.14806	12.9
165.12735	2.2
173.13266	18.9
175.14816	4.7
177.12799	2.5
177.16283	3.6
179.14276	2.7
181.78319	2.1
187.14825	10.0
191.14288	1.9
201.16327	2.5
205.15958	1.7
215.17964	2.4
233.22641	4.2
243.21065	32.2
244.21394	2.9
261.22113	100.0
262.22559	6.2
279.23187	3.5
303.69824	5.9
335.25830	9.2
353.26791	31.2
354.33664	16.7
369.21640	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01876	1.6
55.05508	13.1
57.03419	6.8
57.07072	3.9
58.33316	1.8
59.31562	1.6
67.05498	80.2
69.07059	12.2
69.61367	14.2
71.05001	1.9
76.96132	1.6
79.05481	40.3
81.07048	84.6
82.91489	1.4
83.08614	7.7
85.06567	3.0
91.05473	22.5
93.07030	51.0
95.04964	3.0
95.08595	61.1
97.06533	2.4
99.08080	2.5
105.07021	16.5
106.89929	1.5
107.08579	35.7
109.10147	33.6
109.10833	3.0
111.40030	1.7
113.09630	1.8
117.07005	9.8
118.10895	1.6
119.08568	14.9
121.10137	35.2
123.11698	18.8
125.09633	2.2
125.54206	1.7
129.72012	1.5
131.08556	18.9
133.10094	10.9
135.11674	29.3
137.13254	7.0
145.10130	13.9
147.11623	10.2
149.09694	1.9
149.13220	22.8
153.12779	2.1
159.11658	14.7
161.13214	8.8
163.14769	12.4
168.64117	1.7
173.13243	11.7
175.14825	2.0
177.12761	1.9
177.16385	5.3
181.94069	1.9
187.14757	9.6
201.16379	2.9
205.15881	1.7
215.17920	3.1
219.17427	3.1
233.22699	4.1
243.21078	25.2
261.22119	100.0
262.22592	4.6
279.23141	2.9
335.25626	8.0
336.39661	1.9
348.06827	2.0
353.26846	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.18866	2.0
53.03948	2.1
53.37597	1.9
55.01846	2.6
55.05507	14.4
55.05730	2.5
55.91818	1.7
57.03406	3.9
57.07053	8.7
63.08453	1.8
65.03951	2.8
67.05498	72.7
69.07063	16.9
69.69995	1.9
70.06577	3.2
71.04974	3.1
71.08617	5.5
71.36414	4.6
75.04441	2.1
79.05486	37.8
81.07047	80.1
83.08604	9.8
85.06503	2.7
88.07632	3.7
91.05464	21.8
93.07033	61.0
95.04974	2.2
95.08595	63.7
97.06497	3.3
97.10141	7.9
99.08044	3.4
105.07028	18.6
107.08588	35.9
109.10147	34.0
111.08129	3.3
117.07014	10.0
119.08583	12.8
121.10130	35.4
123.11695	21.1
124.86702	1.9
131.08562	18.1
133.10135	13.8
135.11671	23.8
137.13234	8.5
139.11156	2.1
145.10139	16.2
147.11682	10.1
149.02312	4.0
149.13257	21.2
151.14850	2.3
153.12761	2.6
159.11668	11.7
161.13263	10.5
163.14778	13.8
173.13226	14.2
175.14862	2.5
177.16371	5.4
187.14799	11.1
193.04977	9.9
194.05464	2.9
198.51080	2.1
201.16386	3.7
209.67651	1.9
233.22533	4.4
243.21059	25.6
245.42009	2.1
261.22128	100.0
262.22421	8.6
265.60178	2.2
279.23160	4.7
284.29364	2.3
304.20029	3.3
335.25861	7.9
353.26721	27.7
353.29706	11.1
353.79425	8.1
354.27359	7.3
354.33429	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	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.05508	10.7
57.03410	5.2
57.07059	3.9
61.53731	1.4
65.03912	4.9
67.05495	81.1
69.07058	10.7
69.48414	8.7
69.48837	6.2
71.04973	3.5
72.45371	1.7
75.04475	1.7
76.91499	1.8
79.05479	32.4
81.07043	86.8
83.04971	1.8
83.08583	6.4
85.06536	2.5
91.05451	14.8
93.07027	47.7
95.04929	2.4
95.08591	66.7
97.06493	2.6
97.10150	4.7
105.07013	12.3
105.91859	1.7
107.07877	2.9
107.08572	30.4
109.10138	35.9
117.07014	8.7
119.08556	13.3
121.10125	29.1
123.11694	18.6
130.35822	1.7
131.08548	17.7
133.10110	13.9
135.11673	25.5
137.13237	7.7
145.10100	17.3
147.11620	10.6
149.09549	1.9
149.13243	16.0
151.14832	2.2
159.11667	10.0
161.13223	8.2
163.14827	15.1
173.13210	15.6
175.14824	2.4
177.16357	4.7
179.14328	2.1
187.14799	8.6
201.16318	2.9
217.29068	1.8
233.22600	2.9
243.21045	22.2
261.22107	100.0
262.22458	4.4
272.74091	1.9
279.23135	7.0
284.04840	2.0
335.25696	15.4
353.26813	38.0
354.27219	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.67103	1.8
55.05499	11.1
57.03425	3.6
57.07057	2.6
67.05494	75.6
69.07056	13.9
70.06753	11.7
71.04971	1.7
75.23835	1.8
79.05048	3.5
79.05479	38.8
81.07047	81.5
83.08602	9.1
84.76581	2.0
85.06519	2.0
91.05465	22.5
93.07030	54.3
95.05040	2.0
95.08594	58.5
97.06534	2.2
97.10164	3.0
98.21398	3.0
99.55498	2.2
100.22236	2.1
105.07026	14.4
107.08570	34.2
109.06474	1.9
109.09429	3.7
109.10133	33.8
110.94646	2.1
113.43694	2.0
117.06992	10.4
119.08566	11.5
120.23958	1.8
121.10126	32.9
123.11694	14.2
130.73410	2.2
131.08566	18.4
133.10121	10.2
135.11665	24.6
137.09558	3.7
137.13239	6.5
145.10106	12.2
147.11670	10.4
149.13240	19.7
151.11160	2.5
159.11650	12.2
161.13231	10.1
163.14830	13.4
172.96121	1.9
173.13260	12.5
175.14809	3.5
175.80023	1.8
177.16295	4.7
179.14299	2.2
187.14760	7.8
201.16431	2.9
205.15910	1.9
215.17743	2.3
233.22667	4.2
243.21078	24.5
261.22107	100.0
262.22415	4.4
279.23273	2.5
300.69269	2.1
335.25906	9.1
353.26797	30.3
354.26651	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
54.60646	1.2
55.05504	11.0
57.03423	5.4
57.07054	4.2
61.71854	1.2
65.03924	1.6
67.05495	93.9
68.05798	1.5
69.07055	12.9
69.55637	10.9
71.04987	2.6
71.08583	1.4
75.04453	1.6
78.37890	1.3
79.05481	37.1
81.07046	100.0
82.07365	3.5
83.04981	1.8
83.08604	7.6
85.06512	1.3
91.05466	18.2
93.07031	51.3
94.07391	1.5
94.47314	1.2
95.04955	3.2
95.08595	75.5
96.08959	2.1
97.06538	2.9
97.10156	3.2
98.20776	3.1
105.07009	13.4
107.08569	36.3
108.08890	1.7
109.06544	1.5
109.10141	38.3
117.07011	9.8
119.08566	16.5
121.10120	36.5
122.10406	2.0
123.11694	21.2
131.08542	17.1
133.10083	12.0
135.11670	29.8
137.13251	7.7
144.55493	1.3
145.10101	15.6
147.11665	11.4
149.13251	20.4
151.14787	2.8
159.11662	12.8
161.13239	11.0
163.14806	12.6
165.12740	1.5
170.18863	1.2
173.13239	14.6
175.14792	3.2
177.16368	5.2
181.51035	1.3
187.14771	8.5
189.16486	1.3
191.14272	2.7
196.53844	1.2
201.16391	2.7
219.17699	1.4
233.22615	4.7
243.18774	2.4
243.21054	25.9
244.21417	1.8
261.22110	95.2
262.22467	5.6
263.23834	1.8
279.23212	7.5
335.25732	15.8
348.08746	1.4
353.26834	36.7
354.27219	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	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52412	1.1
53.03928	2.2
55.05503	11.3
55.68346	1.2
57.03428	5.5
57.07061	4.3
65.03907	1.8
67.05493	90.7
68.05830	1.1
69.07056	13.8
70.06588	1.9
71.04984	3.6
71.08608	1.8
75.04466	1.4
75.48128	1.2
79.05480	36.6
81.07041	100.0
83.04993	1.9
83.08624	7.4
85.06530	2.6
91.05463	17.9
93.07027	51.9
95.04943	2.9
95.08592	73.5
97.06530	3.6
97.10134	4.3
98.20696	1.8
99.08066	1.7
105.07005	15.4
107.08575	36.7
109.10140	38.9
109.71651	1.3
111.08060	1.5
117.06989	7.7
119.08566	13.8
121.10121	32.9
123.11685	18.3
131.08545	18.8
133.10117	14.2
135.11674	28.0
137.13206	10.1
145.10081	12.5
147.11646	11.3
149.13235	18.8
151.14760	3.0
153.12718	1.4
159.11649	13.8
161.13243	8.2
163.14801	13.0
165.12648	1.9
173.13223	16.9
175.14772	3.3
177.12730	2.3
177.16402	4.7
179.14381	2.2
187.14815	8.5
201.16335	3.1
203.17973	1.3
215.17793	1.5
219.17384	1.9
233.22594	4.4
243.21051	27.5
261.22089	98.7
262.22668	1.8
279.23215	6.3
294.24213	3.1
303.69836	1.7
335.25720	17.6
353.06750	1.5
353.26770	39.9
354.26712	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	3.1
55.05507	12.4
57.03424	6.2
57.07051	5.8
67.05495	78.4
68.47028	2.5
69.03425	3.0
69.07048	15.0
70.06577	5.5
76.44614	2.4
79.05479	36.1
81.06590	5.6
81.07047	83.2
83.08607	7.6
84.08144	4.8
88.26794	2.7
91.05473	25.1
93.07030	49.1
95.04955	4.2
95.08595	70.2
97.06543	4.9
97.10178	5.2
105.07010	20.3
107.08574	31.1
108.08131	2.8
108.08814	2.9
109.06507	3.8
109.10151	35.6
117.06979	8.5
119.08592	15.1
121.10130	28.1
123.11680	14.2
131.08545	19.3
133.10123	18.0
135.11678	26.3
137.09595	3.2
137.13206	9.8
145.10103	18.2
147.11671	12.1
149.13237	18.5
151.11153	2.5
154.12239	4.6
159.11681	14.8
161.13252	8.3
161.83003	2.6
163.14778	8.9
165.12820	2.9
173.13234	12.8
175.14893	5.1
177.16374	2.7
181.47121	2.7
187.14821	8.1
191.14331	3.9
233.22519	5.2
238.17984	5.0
243.21042	24.9
261.22104	100.0
279.23187	3.8
303.69870	13.0
304.19989	9.1
317.86261	3.0
335.25705	7.3
353.26895	41.0
369.21802	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	353.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01849	1.2
55.05500	12.5
56.05023	8.1
57.03427	2.7
57.07059	3.4
60.04515	14.4
61.01135	3.7
61.02905	1.8
65.45742	1.1
65.64816	1.3
67.05496	19.3
69.03431	12.2
69.07054	17.7
69.43676	3.1
69.44078	10.9
70.02961	3.1
70.06579	63.2
71.04982	30.0
71.06914	2.6
71.08636	3.1
72.08144	20.5
74.06065	6.8
79.05475	5.3
81.03383	3.3
81.07041	67.9
82.06573	1.9
82.07384	4.0
83.06164	1.6
83.08611	2.2
84.04491	14.7
84.08126	30.9
85.02897	12.6
85.06528	32.7
85.08492	2.2
86.09686	48.7
86.96609	1.2
87.05591	2.8
87.10036	4.9
88.03991	4.3
90.05525	2.2
91.05478	6.9
93.07038	3.9
94.06548	1.8
95.04921	1.9
95.08588	60.6
96.08124	2.3
96.08935	2.2
97.02865	2.4
97.06537	1.4
97.07633	1.8
98.06006	1.6
99.04461	1.8
99.08089	4.7
102.05527	3.8
103.05452	2.9
104.05307	4.7
105.07012	5.8
107.08581	4.6
108.08083	4.1
109.02858	1.4
109.06520	1.6
109.08906	1.5
109.10146	9.9
110.07140	17.6
110.10476	2.5
111.07436	1.7
111.08117	1.9
111.11710	2.2
112.08681	2.2
115.08688	2.9
116.07076	2.8
117.06569	1.5
119.04932	2.0
119.08577	3.8
120.08085	35.0
121.08441	4.5
121.10145	2.8
123.07996	1.6
125.09585	1.5
126.05473	2.4
127.03872	3.6
127.08633	1.4
129.06920	1.6
129.10223	20.0
130.04991	4.8
130.06480	3.3
130.08623	3.2
130.10530	1.8
131.08559	5.0
132.08060	2.7
133.10109	3.4
135.08034	5.1
135.11652	2.2
136.07549	7.9
137.13225	14.4
141.10207	1.8
143.08495	1.3
143.11787	3.2
145.04941	1.5
145.10120	2.4
147.04391	3.3
147.11391	2.2
148.06015	3.9
149.09613	3.2
155.14276	100.0
156.07668	4.1
156.11124	2.1
156.14639	4.5
159.09132	1.5
164.07086	2.1
166.08551	1.8
173.09616	1.7
173.13235	12.9
173.15341	42.6
174.15692	1.6
175.11861	1.7
177.05420	2.1
180.97902	1.8
183.14893	1.6
191.11769	2.9
191.14304	29.2
191.16409	29.3
192.14700	1.7
200.10617	2.6
201.12297	2.5
206.10179	1.3
209.15318	2.1
220.16965	7.2
223.10764	3.1
225.10213	4.5
226.11032	5.0
227.11662	2.2
238.18002	6.9
239.11653	2.7
251.12175	4.6
251.14839	1.7
254.97951	10.1
303.69818	22.4
304.19958	14.6
304.70169	2.8
317.17703	1.7
335.12329	3.6
351.20306	1.9
352.68704	3.2
353.13205	2.3
353.19449	6.0
353.70465	2.8
369.21640	7.9
370.21912	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01849	1.2
55.05500	12.5
56.05023	8.1
57.03427	2.7
57.07059	3.4
60.04515	14.4
61.01135	3.7
61.02905	1.8
65.45742	1.1
65.64816	1.3
67.05496	19.3
69.03431	12.2
69.07054	17.7
69.43676	3.1
69.44078	10.9
70.02961	3.1
70.06579	63.2
71.04982	30.0
71.06914	2.6
71.08636	3.1
72.08144	20.5
74.06065	6.8
79.05475	5.3
81.03383	3.3
81.07041	67.9
82.06573	1.9
82.07384	4.0
83.06164	1.6
83.08611	2.2
84.04491	14.7
84.08126	30.9
85.02897	12.6
85.06528	32.7
85.08492	2.2
86.09686	48.7
86.96609	1.2
87.05591	2.8
87.10036	4.9
88.03991	4.3
90.05525	2.2
91.05478	6.9
93.07038	3.9
94.06548	1.8
95.04921	1.9
95.08588	60.6
96.08124	2.3
96.08935	2.2
97.02865	2.4
97.06537	1.4
97.07633	1.8
98.06006	1.6
99.04461	1.8
99.08089	4.7
102.05527	3.8
103.05452	2.9
104.05307	4.7
105.07012	5.8
107.08581	4.6
108.08083	4.1
109.02858	1.4
109.06520	1.6
109.08906	1.5
109.10146	9.9
110.07140	17.6
110.10476	2.5
111.07436	1.7
111.08117	1.9
111.11710	2.2
112.08681	2.2
115.08688	2.9
116.07076	2.8
117.06569	1.5
119.04932	2.0
119.08577	3.8
120.08085	35.0
121.08441	4.5
121.10145	2.8
123.07996	1.6
125.09585	1.5
126.05473	2.4
127.03872	3.6
127.08633	1.4
129.06920	1.6
129.10223	20.0
130.04991	4.8
130.06480	3.3
130.08623	3.2
130.10530	1.8
131.08559	5.0
132.08060	2.7
133.10109	3.4
135.08034	5.1
135.11652	2.2
136.07549	7.9
137.13225	14.4
141.10207	1.8
143.08495	1.3
143.11787	3.2
145.04941	1.5
145.10120	2.4
147.04391	3.3
147.11391	2.2
148.06015	3.9
149.09613	3.2
155.14276	100.0
156.07668	4.1
156.11124	2.1
156.14639	4.5
159.09132	1.5
164.07086	2.1
166.08551	1.8
173.09616	1.7
173.13235	12.9
173.15341	42.6
174.15692	1.6
175.11861	1.7
177.05420	2.1
180.97902	1.8
183.14893	1.6
191.11769	2.9
191.14304	29.2
191.16409	29.3
192.14700	1.7
200.10617	2.6
201.12297	2.5
206.10179	1.3
209.15318	2.1
220.16965	7.2
223.10764	3.1
225.10213	4.5
226.11032	5.0
227.11662	2.2
238.18002	6.9
239.11653	2.7
251.12175	4.6
251.14839	1.7
254.97951	10.1
303.69818	22.4
304.19958	14.6
304.70169	2.8
317.17703	1.7
335.12329	3.6
351.20306	1.9
352.68704	3.2
353.13205	2.3
353.19449	6.0
353.70465	2.8
369.21640	7.9
370.21912	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
55.05493	0.8
56.05024	1.8
57.03423	0.5
60.04509	1.0
60.05635	0.7
61.01146	0.3
61.02900	0.4
67.05482	0.5
68.05010	0.7
69.03413	1.6
69.07043	1.0
69.80208	1.6
70.02930	0.3
70.06193	0.3
70.06583	6.2
71.06908	0.3
72.08149	2.2
73.02905	0.6
74.02419	0.5
74.06074	1.8
76.03976	0.4
78.77809	0.3
81.03405	0.6
83.06095	0.6
84.04494	3.8
84.08128	7.2
85.02407	0.4
85.02891	4.7
85.04006	0.8
85.08430	0.5
85.22853	0.2
86.05556	0.4
86.06059	6.4
86.09698	3.0
87.05581	5.2
87.06370	1.6
88.03970	0.9
89.03905	0.4
91.03969	0.3
91.04891	0.4
91.05465	7.6
94.06524	0.3
95.06071	0.5
97.02879	1.6
98.06043	0.3
98.20818	0.5
99.04442	0.5
99.05599	0.3
101.00860	0.6
102.05537	1.4
104.05338	0.3
107.04909	1.3
109.02859	0.6
109.06475	0.3
110.02367	0.3
110.07151	3.5
111.07526	0.4
112.08711	0.6
115.05029	2.3
115.08669	0.3
116.07020	0.6
117.03378	0.5
118.06520	0.5
118.39680	0.2
119.01920	1.7
119.04922	8.9
120.04461	0.7
120.06554	0.6
120.08077	1.0
121.06487	0.7
121.08422	0.5
123.04450	0.7
124.05099	0.2
125.07094	0.3
127.03885	1.6
127.04861	0.3
129.06592	0.4
129.10214	3.7
130.04971	0.7
130.06525	0.5
130.08580	0.6
131.01903	0.8
132.95866	0.5
133.03470	0.3
133.06049	0.4
134.04492	0.3
134.05977	0.4
135.04436	1.3
136.07558	100.0
137.07924	3.4
138.03416	0.3
138.44287	0.2
141.06543	0.3
143.01920	1.0
143.08133	2.4
144.08453	0.8
145.02701	0.3
145.03658	0.3
145.04912	1.1
146.05997	2.4
146.08359	0.7
147.04346	1.7
147.07617	0.3
148.07558	0.8
148.08669	0.5
152.07034	0.2
155.01868	0.9
156.07655	1.0
157.03488	0.4
160.07678	0.5
161.02916	1.4
162.96886	0.3
163.03864	3.7
165.05432	0.4
170.23505	0.3
171.04965	0.3
171.07613	1.9
172.08009	1.3
173.02948	1.4
174.04384	0.5
174.96855	0.4
175.09740	0.3
177.05360	0.6
180.06480	0.6
182.08020	0.8
183.04967	0.9
184.07599	0.4
185.02983	0.9
188.07057	0.4
191.08156	0.5
192.05540	0.9
193.09654	2.8
193.11031	0.3
196.07622	0.6
198.09108	0.4
199.04539	0.6
203.04013	1.0
207.05025	0.6
214.08684	0.2
217.04977	0.8
221.02998	0.6
221.04999	0.5
221.09227	0.8
222.07545	1.7
223.04523	1.3
225.06036	0.3
227.03960	0.3
232.04834	0.3
233.09157	1.0
234.96902	0.3
235.04425	1.3
237.06097	0.6
239.03990	0.4
239.10223	14.0
240.10631	0.5
240.13335	0.4
241.05582	0.8
243.17593	0.2
244.09537	0.3
245.05009	1.8
247.04520	0.8
250.11900	3.5
251.04054	0.6
252.97838	0.4
253.98201	0.5
254.98106	0.9
257.05029	0.4
263.03772	0.5
263.06134	0.7
264.07596	0.4
265.05566	1.2
269.05096	0.3
270.07474	0.3
273.08307	0.3
275.03983	1.0
276.04419	0.3
277.05606	0.3
278.08594	0.4
278.11337	3.6
281.05042	1.7
283.06726	0.3
293.05038	1.6
294.05447	0.4
296.12869	1.4
311.05945	1.4
318.09760	0.5
335.13437	1.5
335.18170	0.3
336.11514	0.3
353.07620	1.1
353.15118	1.6
353.21191	0.9
365.09317	0.8
371.08176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2889
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
53.03931	0.4
55.01858	0.6
55.05256	0.5
55.05503	7.6
57.03420	0.5
57.07068	3.7
67.05153	0.4
67.05495	6.3
69.03403	0.4
69.07059	11.3
71.04965	1.3
71.08622	3.5
71.77972	0.3
73.06541	0.4
79.05489	3.3
81.07047	11.9
83.04957	0.9
83.08609	6.0
83.51229	0.3
85.06528	1.5
85.10175	0.5
88.11240	0.8
89.06040	0.3
89.11571	0.4
91.05489	1.6
93.07035	8.1
95.04955	1.2
95.08597	12.0
97.06515	3.1
97.10149	2.5
99.08078	1.0
101.05933	0.3
105.07034	2.3
107.06653	0.3
107.08578	10.9
108.08908	0.4
109.06508	2.8
109.10140	5.9
111.08073	2.2
111.11662	0.4
115.07523	0.3
119.08563	3.1
121.10131	5.7
123.08056	3.7
123.11707	2.8
124.08350	0.3
125.09604	0.7
133.10133	2.2
135.11688	3.2
137.09602	0.8
137.13246	0.8
139.11134	0.6
145.10120	0.6
147.11684	1.2
149.13229	2.4
151.09598	0.4
151.11194	0.5
151.14751	0.8
159.11626	0.6
161.13243	1.0
163.14792	2.1
165.12692	0.8
165.16309	0.7
167.14310	4.0
168.14664	0.4
171.11690	0.5
175.14784	0.9
177.16347	1.1
179.14296	3.5
180.14648	0.8
181.15834	0.5
193.15860	0.6
202.21230	0.3
207.17480	0.8
217.19252	0.4
221.18846	0.6
235.20584	0.7
263.20001	0.6
277.21582	1.2
281.21198	0.7
283.97772	0.3
294.21765	0.4
305.28372	1.3
310.78223	0.3
315.26712	0.3
333.23788	0.6
333.27808	10.6
334.28201	1.1
351.28888	100.0
352.29214	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	352.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
55.05485	1.3
56.05032	1.9
60.04498	1.1
60.05627	0.4
61.01142	0.5
61.30202	0.3
62.64015	0.3
67.05488	0.6
68.05008	0.4
69.03385	0.4
69.07051	1.2
70.02925	0.5
70.06580	9.0
70.10133	1.7
71.06903	0.5
72.08142	13.2
73.08487	0.4
74.06084	1.4
83.04977	0.3
83.06078	0.4
84.04493	3.3
84.08131	5.4
85.02881	0.8
85.08437	0.6
86.09693	9.6
87.10014	0.9
88.03972	0.9
90.05546	0.6
91.05466	13.7
94.07275	0.3
95.08588	0.7
96.18440	0.3
98.20771	0.4
98.76090	0.3
99.04445	0.3
101.07126	0.8
102.05508	1.5
104.05313	0.7
107.04929	0.5
109.10135	4.6
110.02799	0.3
110.07146	3.3
112.08706	0.6
113.07100	0.3
114.05514	0.4
115.08678	0.5
116.07063	0.8
117.03384	0.6
118.08637	8.2
119.04926	11.5
119.35043	0.3
120.08082	4.0
121.06500	0.4
121.08456	0.6
123.04410	0.3
127.08710	0.3
127.11195	1.3
129.10207	2.7
130.05000	0.9
130.08644	0.7
130.10606	0.4
131.33749	0.3
134.05991	0.4
136.07558	100.0
137.05878	0.3
137.07935	1.5
137.09598	2.5
143.11777	3.4
145.02798	1.6
146.03647	0.4
146.05922	0.4
147.04398	2.6
147.11273	0.4
148.06038	0.8
149.05991	0.6
155.10634	2.3
156.07648	0.6
157.02165	0.3
161.05995	0.9
162.09071	2.5
163.03917	0.5
164.07088	0.9
165.05464	0.5
166.08676	0.7
171.11313	0.9
172.05914	0.4
173.11674	2.9
173.12935	0.4
175.11887	0.7
177.05441	3.4
182.08156	1.3
187.03912	0.5
189.05417	0.4
189.12314	8.3
201.12399	0.4
202.02681	0.4
207.11259	31.1
208.11572	0.9
215.03342	0.7
217.04942	5.8
229.04808	0.4
235.10735	27.4
236.11064	0.7
245.04393	0.8
254.97916	0.5
275.05542	0.8
275.12308	0.3
293.06525	1.2
305.06625	0.5
307.16534	0.5
352.19226	1.1
353.08856	0.7
353.13245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.05301	1.3
55.05501	15.0
57.03413	6.7
65.03926	1.8
67.05162	2.4
67.05494	38.0
69.07050	15.8
69.73925	11.4
70.06580	2.5
75.04463	1.6
79.05482	58.6
81.07047	46.8
83.04974	3.1
83.08607	7.5
85.06480	2.6
86.26672	1.7
91.05463	50.2
93.07031	75.9
95.04948	6.5
95.08594	33.6
97.06494	2.8
97.10133	3.1
99.08079	4.8
103.54916	1.6
105.07016	52.2
107.08585	46.6
108.02893	1.6
109.06499	2.1
109.10142	9.7
112.06003	1.6
114.10362	1.7
117.06996	9.6
119.08569	46.9
121.10127	38.3
123.08039	1.7
123.11691	2.9
129.06993	8.1
131.08549	19.9
133.10118	43.6
135.08060	2.0
135.11678	34.1
143.08542	7.2
145.10104	19.5
147.11667	42.8
149.09531	2.9
149.13243	21.2
157.10126	6.7
159.11662	17.1
161.13240	30.3
163.11128	3.8
163.14806	7.8
171.11653	11.8
173.13232	9.0
175.14796	15.3
177.12668	2.1
185.13274	9.9
187.14845	3.0
199.14824	4.8
201.16347	1.6
202.09001	2.3
209.68837	1.5
213.16315	4.7
217.15808	1.7
217.19415	1.8
231.17416	3.1
231.21120	9.4
241.19492	33.9
259.20551	100.0
260.20932	5.6
273.55273	1.8
277.21667	10.9
333.24026	7.5
351.25269	88.6
352.25641	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.0
55.05502	10.9
57.03419	8.1
57.07047	8.8
67.05489	93.5
69.07039	13.7
69.60419	17.4
69.60851	20.2
71.04971	6.0
79.05474	39.3
81.07041	100.0
81.07487	3.8
83.08593	11.5
83.35141	4.3
85.97743	5.3
89.06000	5.9
89.40100	5.1
91.05462	31.9
93.07018	62.2
95.04960	6.9
95.08588	72.3
97.10172	7.6
105.07010	24.2
107.04921	5.9
107.08566	42.2
109.06547	5.5
109.10130	51.3
117.07018	10.4
119.08567	29.0
121.06510	7.3
121.10109	45.2
123.08069	8.3
123.11714	35.5
129.05492	6.8
129.06874	4.8
131.08530	11.6
133.10098	34.0
135.08034	13.1
135.11671	26.2
137.09573	10.8
137.13211	12.0
145.10088	14.6
147.11636	21.1
149.09549	9.8
149.13239	19.6
159.11671	14.1
161.13223	14.7
163.29167	4.9
165.26648	5.7
171.11678	9.0
173.13219	5.5
175.14754	8.1
177.16429	8.2
185.13171	8.8
189.16362	7.6
203.98996	5.4
204.92644	5.0
215.17940	14.7
217.19475	45.2
218.21863	4.5
228.20297	10.6
231.21019	32.3
241.19505	44.1
259.20529	70.3
277.21649	14.0
294.18692	5.3
333.24283	8.3
351.25122	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01861	3.7
55.05505	21.9
57.03171	1.9
57.03428	21.4
57.07062	3.0
60.10051	1.2
65.03937	2.5
66.96658	1.3
67.05495	58.8
69.07057	18.0
69.72777	1.7
69.89532	2.7
69.89950	5.9
71.04984	2.3
71.08625	6.2
79.05479	48.1
81.07047	60.3
83.04980	4.4
83.08604	15.6
84.08115	1.2
85.06522	5.0
91.05471	36.6
93.07032	60.6
95.04952	7.0
95.08592	38.7
97.06511	5.7
97.10145	5.5
99.08106	7.4
105.07019	37.8
107.04927	1.9
107.08582	42.3
109.06476	2.4
109.10149	23.2
111.08081	3.4
111.37346	1.2
113.06001	1.2
113.09591	2.5
117.07034	11.1
119.08567	38.4
121.06451	1.6
121.10123	33.1
123.08084	1.6
123.11705	7.2
125.09594	4.9
129.06955	6.2
131.08546	14.5
133.10115	32.4
135.11664	30.9
137.05986	1.3
137.09528	1.6
137.38638	1.1
139.11157	1.9
143.08525	6.2
144.89888	1.2
145.10123	15.3
147.11670	29.8
149.09547	2.4
149.13252	16.7
151.11147	4.1
156.09360	1.3
157.10095	5.8
159.11679	14.3
161.13235	22.8
163.11142	3.6
163.14786	5.2
165.12701	2.5
171.10381	1.6
171.11600	6.5
173.11845	2.0
173.13234	10.6
175.14810	8.5
177.12729	2.4
179.14285	10.3
185.13249	6.5
187.14751	5.9
189.11246	2.9
199.14793	5.3
200.15083	1.3
205.15805	3.7
209.79736	1.2
213.16275	2.4
217.15828	1.2
217.19485	1.2
221.18971	2.9
231.17496	1.8
231.21004	4.8
241.19507	18.1
259.20544	56.7
259.23322	3.0
260.20880	1.9
277.21582	24.0
333.23956	5.7
350.80634	2.4
351.25247	100.0
352.25555	5.1
373.15131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70214	1.5
50.70755	1.6
53.03930	4.5
55.05500	17.7
57.03415	3.9
57.07066	3.6
65.03940	1.8
67.05496	43.7
69.07063	16.2
70.06739	10.2
71.04963	3.2
75.04437	2.7
79.05486	59.5
81.07049	50.4
83.08598	5.5
84.08121	2.6
85.06532	3.1
91.05469	61.6
91.20108	2.0
93.07033	76.9
94.07359	1.7
95.04943	5.5
95.08601	33.9
97.06499	3.3
97.10136	3.4
99.08087	3.7
99.19326	1.8
105.07014	62.3
107.08581	44.1
109.06499	3.9
109.10156	13.2
113.09618	2.7
115.05390	2.2
117.07012	15.3
119.08572	60.7
120.08894	2.7
121.10120	34.2
123.11678	3.1
129.06987	10.1
131.08553	26.8
133.10115	49.7
134.10406	2.1
135.08102	3.0
135.11682	33.5
137.09573	2.3
143.08545	8.1
145.10106	24.7
147.07962	2.4
147.11674	48.2
149.09616	4.3
149.13225	24.3
151.11209	2.3
157.10141	12.0
159.11671	24.6
161.13235	39.3
163.11209	3.1
163.14784	6.6
171.11685	16.4
173.13235	10.4
175.14789	15.4
175.27545	1.6
177.12701	2.1
185.13252	14.7
187.14822	4.9
189.12712	2.3
198.95546	1.8
199.14789	9.0
203.14223	3.6
213.16399	7.2
215.17926	2.2
217.19633	3.3
231.21057	9.2
241.19487	34.8
259.20547	100.0
260.20905	3.4
267.94449	2.0
277.21722	5.2
288.83212	1.8
333.24191	4.1
351.25262	73.1
351.29575	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92610	1.3
53.03931	3.2
55.01865	1.9
55.05505	24.4
57.03430	35.4
57.07064	2.1
58.88887	1.6
60.72633	1.2
65.03928	3.2
67.05496	47.8
69.03442	1.4
69.07058	19.6
70.06584	2.2
70.71508	2.1
70.71864	4.0
71.04971	6.1
71.05315	1.4
75.04475	1.4
77.03918	1.9
79.05482	51.7
81.03446	1.6
81.07043	57.5
81.07523	3.0
83.04965	2.8
83.08608	14.9
84.81255	1.3
85.06519	5.6
87.04352	1.2
91.04907	2.0
91.05470	40.5
93.07035	61.7
95.04950	6.2
95.08594	47.8
97.06519	5.9
97.10154	4.1
98.21531	1.3
99.08109	3.2
102.44207	1.4
105.07015	39.9
107.08580	44.2
108.08907	2.2
109.06517	4.6
109.10136	18.1
111.08051	3.9
113.09640	1.6
117.07033	10.6
119.08575	30.2
121.10130	35.0
123.08066	3.5
123.11670	5.1
125.09623	2.3
129.06993	4.8
131.08560	18.6
133.10115	31.6
134.10440	1.5
135.08035	2.7
135.11670	27.7
137.09557	3.1
137.13257	1.8
143.08531	6.0
145.10088	12.8
147.11674	30.6
149.09624	3.1
149.13231	18.7
151.11206	3.3
157.10124	5.4
158.60324	1.3
159.11685	16.3
161.13249	14.5
163.11136	4.3
163.14781	5.6
165.12761	3.0
171.11740	8.2
173.13232	7.7
175.14807	9.2
177.12750	2.8
179.14268	1.7
185.13249	8.9
186.05537	1.4
187.14804	10.4
199.14824	5.2
201.16345	2.3
203.14256	1.9
203.17876	1.9
205.15863	4.6
219.22247	1.7
221.18959	1.7
231.21042	4.4
241.19485	15.0
259.20535	49.2
260.20999	2.5
277.21573	19.9
278.21970	1.6
306.24249	1.8
333.24207	8.2
351.25247	100.0
352.25961	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88119	0.3
55.05500	0.7
56.05029	2.9
56.18552	0.3
58.99563	0.4
60.04500	0.6
61.01152	0.4
62.99060	0.3
67.05495	0.9
68.72822	0.3
69.07069	0.3
69.44601	0.6
69.45004	2.2
70.06199	0.6
70.06577	9.0
71.06907	0.4
72.08140	3.7
74.06062	1.0
77.24269	0.3
79.05478	0.5
82.06564	1.4
84.04504	2.0
84.08128	100.0
85.01109	0.3
85.02860	0.3
85.06503	0.4
85.08462	1.4
85.20142	0.3
86.09691	2.9
87.02650	0.3
87.05573	0.5
88.03955	0.6
90.05532	0.7
91.05470	1.1
93.07047	1.2
95.04945	0.5
95.08575	0.4
98.06026	0.3
100.07660	0.3
101.04225	24.4
101.07136	0.6
101.10798	0.4
102.05524	0.7
102.96765	0.3
103.05429	0.6
104.05313	0.3
104.98309	0.7
110.06043	0.4
110.07159	1.0
112.07597	0.5
112.08710	0.4
113.07034	0.3
115.05766	0.5
116.07094	0.7
120.08083	22.5
121.06502	0.8
123.08010	0.4
125.04186	0.5
127.05746	3.2
127.08665	0.8
128.07072	0.5
129.10219	7.6
129.11130	0.6
130.04929	0.5
130.08620	12.1
136.07564	1.7
138.09117	0.4
146.06284	0.3
147.11255	9.4
159.02931	0.8
163.03915	0.5
177.04001	21.8
177.08725	0.6
177.10181	5.9
178.04355	0.7
181.06056	0.3
187.02414	1.9
205.03497	7.0
205.09700	0.4
206.15456	0.8
223.10735	0.5
234.96793	1.8
242.10417	0.5
245.07716	0.6
248.94810	0.4
252.97902	4.4
253.98112	0.4
260.98349	0.6
270.09799	3.1
278.99570	0.8
281.66922	0.3
288.10806	20.5
289.11328	0.6
294.18005	0.7
301.11749	0.5
305.13687	0.5
316.16589	0.3
319.12753	1.2
333.12997	2.9
351.13998	64.7
351.20068	10.0
352.14395	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	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01879	1.5
55.05508	4.4
56.05031	6.1
56.49692	0.5
57.03434	2.8
58.06583	0.8
58.99574	0.5
59.04988	0.9
60.04517	100.0
61.02924	2.0
61.04845	0.8
64.13052	0.5
65.03955	0.7
67.05495	8.7
68.05003	0.9
69.03074	0.9
69.03422	9.5
69.07062	5.2
70.06200	1.0
70.06584	19.3
71.01344	1.1
71.04991	3.7
72.04504	2.0
72.08132	2.3
73.02901	1.2
74.06067	3.0
76.04006	0.6
79.05475	5.2
80.05015	1.3
81.03406	2.1
81.07043	10.0
82.06572	2.7
82.32186	0.5
83.08615	2.9
84.04487	2.4
84.08140	8.3
85.02856	1.0
86.06053	1.3
86.09694	11.7
87.09988	0.5
88.03983	1.4
90.05563	1.2
91.05465	3.8
93.07033	5.5
94.06551	2.3
95.04957	1.2
95.08598	8.8
96.08116	1.8
97.02861	0.8
97.06520	0.7
97.10150	1.0
98.20724	1.5
99.04452	2.4
102.05567	0.8
105.07024	2.5
107.08580	3.2
108.08116	1.1
109.10146	4.2
110.09635	0.6
110.17071	0.6
112.07582	0.7
116.07056	0.8
117.07024	0.6
117.97804	1.1
118.06519	3.6
119.08564	1.7
120.08119	4.1
121.10151	2.8
122.09658	1.1
123.11688	1.5
129.10226	5.3
131.08592	0.8
132.08078	1.3
133.10109	2.2
135.11668	2.5
138.09090	0.6
140.10829	0.5
141.10199	1.4
145.07596	12.7
145.10072	1.1
146.08203	0.7
147.09151	20.4
147.11636	0.9
148.09462	1.2
156.10202	1.0
157.07574	0.6
159.07877	0.5
159.09158	8.9
159.11661	0.7
160.09904	1.7
173.07127	0.8
173.10681	1.1
174.97066	0.5
175.08699	1.3
180.92509	0.6
185.10719	3.3
186.11436	0.9
187.08640	1.6
187.10712	0.7
189.10284	0.9
191.08125	94.6
192.08482	6.6
197.10718	1.5
199.08617	1.3
199.12303	1.8
201.10492	1.1
201.12291	8.4
202.12671	0.8
213.10258	1.4
215.11829	1.3
216.07668	9.3
217.08057	0.6
219.14104	0.6
220.16940	2.1
221.00500	2.2
222.18544	1.4
225.10164	1.1
229.11891	0.9
229.15465	7.0
229.62740	0.7
230.15778	1.0
233.09213	0.8
238.18022	1.6
239.18524	0.7
240.19568	2.9
248.23616	0.8
256.19028	0.8
257.15375	0.5
260.23758	2.6
263.13858	6.6
266.24820	1.5
271.10724	0.8
278.24731	7.8
289.11771	2.5
296.25800	11.0
307.12848	45.6
308.13217	4.7
314.26837	12.8
332.27905	32.4
333.28265	3.1
349.70120	1.0
350.13437	65.2
350.28964	92.2
350.70679	0.6
351.13785	10.1
351.18753	0.6
351.19800	0.5
351.29321	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	350.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
55.35118	0.5
55.66455	0.5
56.05011	1.1
57.02634	0.7
57.07076	0.6
58.06581	1.0
58.52176	0.6
60.04501	1.5
62.15661	0.6
65.03931	0.5
67.05494	3.2
69.07047	2.3
70.06195	0.8
70.06580	13.3
70.31735	1.9
71.04983	0.6
72.08134	2.5
76.02218	0.8
79.05478	2.5
80.04998	1.2
81.07040	3.3
82.06568	1.2
83.04978	1.0
83.08603	0.9
84.04489	2.2
84.08129	3.4
86.09694	54.7
87.04448	0.6
88.07581	0.9
89.06016	0.5
91.05461	2.1
93.07024	2.2
94.06534	1.6
95.04954	1.3
95.08605	2.9
96.08102	1.6
97.10165	0.6
101.28818	0.5
103.05444	2.1
105.07008	1.7
107.04965	0.7
107.08582	1.3
108.08102	1.8
109.08888	0.6
109.10117	1.0
110.07156	1.3
111.12231	0.6
114.09143	1.0
117.07029	0.5
119.08558	0.9
120.08086	100.0
121.06476	1.2
121.08387	1.3
121.10135	1.0
122.09652	1.3
123.04405	0.8
126.65698	0.5
129.01836	0.6
129.10217	1.7
130.04996	1.4
130.06551	0.9
130.07651	0.5
131.04877	0.7
131.08612	0.7
132.10147	1.6
133.10153	0.7
133.87874	0.5
134.09636	0.6
143.11771	6.8
146.11736	35.2
147.11911	0.6
161.09628	0.6
161.13246	0.6
161.82039	0.6
163.07568	0.8
163.11142	0.9
171.11305	1.8
176.12843	2.2
177.10202	33.4
178.10544	0.8
179.03493	1.2
180.08603	0.9
180.10172	15.3
180.11699	0.9
181.10591	0.7
182.15385	0.5
205.09734	9.7
211.05963	1.8
218.66139	0.7
220.16977	3.1
221.17326	0.9
222.15030	1.2
222.18500	3.9
223.18927	0.6
238.18002	7.3
239.18636	4.1
240.19576	11.2
241.19949	1.9
246.17844	0.6
256.19025	1.3
257.66293	0.7
272.18677	0.7
293.18558	1.6
316.68314	0.7
319.09833	1.2
325.18890	0.8
327.21161	1.7
328.21701	0.8
331.69321	0.7
340.69321	1.5
341.20334	3.7
349.70023	2.2
350.21213	9.4
350.28888	17.0
350.71259	3.8
351.12262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23797	0.5
52.01430	0.4
53.03918	0.9
55.01847	0.7
55.05490	1.4
55.93522	2.9
56.05026	9.4
57.07050	1.2
58.28613	0.5
60.04523	2.7
61.01138	5.3
61.02911	0.7
65.03939	3.0
68.99761	0.8
69.03406	2.6
69.07053	1.0
69.69287	4.7
70.06583	60.6
71.06903	2.2
71.45860	0.5
72.08147	16.0
72.93771	2.1
73.02871	0.7
74.06077	3.8
76.02235	0.6
76.03977	0.7
79.63960	0.5
81.03435	1.3
82.06569	0.7
83.04945	1.7
83.06097	1.3
84.04489	9.4
84.08136	14.0
85.02897	7.9
85.04800	0.5
85.08455	1.1
86.06017	0.6
86.09203	0.9
86.09698	11.5
86.10215	0.8
87.04434	2.3
87.05584	1.0
88.03960	1.3
89.03880	0.8
90.05564	0.5
90.94830	0.8
91.05461	2.5
93.03378	1.1
95.04939	0.6
95.06043	1.1
97.02860	2.5
97.06520	0.6
97.07653	0.6
98.06023	1.0
98.21482	1.2
99.04437	0.7
101.07101	0.8
102.05532	3.7
104.05315	10.1
104.07100	2.9
106.04915	1.6
107.04942	0.7
107.08560	0.6
109.02863	0.7
110.07146	8.7
110.09657	1.5
111.03689	1.2
111.04426	16.3
111.05559	0.7
112.08685	1.0
115.08659	0.8
116.07088	6.9
117.03318	0.7
119.04897	1.5
120.06605	1.4
120.08095	11.5
121.03941	0.9
122.07139	0.7
124.11243	0.7
126.05542	0.9
127.03914	1.5
127.08642	0.8
129.10213	7.4
130.04994	5.5
130.06479	2.6
130.08611	2.0
130.10579	0.7
131.06842	1.2
132.04512	0.8
133.06055	0.8
134.08171	0.5
135.04390	3.2
136.06175	2.9
136.07559	8.3
139.03883	36.7
139.08673	0.6
140.06970	0.6
141.10204	1.6
142.03206	0.8
143.11771	1.2
145.02806	1.5
145.04921	1.5
146.05998	0.7
147.04417	0.7
147.07663	3.9
147.11240	1.6
155.11781	1.0
156.04134	1.0
156.07660	2.3
157.07550	0.6
158.06009	1.0
158.07982	1.1
158.10001	8.1
159.06422	0.8
159.07687	0.5
159.09148	0.9
160.09666	0.7
162.07433	0.6
163.03888	8.3
164.04224	1.5
165.04375	1.1
169.09756	1.3
169.13321	1.9
170.08157	0.5
171.06505	50.7
172.06854	0.8
173.12851	1.1
175.11903	0.7
177.10225	1.7
178.97928	0.7
180.08693	0.7
181.09724	0.9
187.10785	3.8
188.03764	1.7
189.97067	1.0
191.11754	1.4
192.97957	0.7
196.98958	1.0
199.10770	2.5
201.12357	1.6
203.12103	12.6
205.96587	1.4
206.97316	2.8
207.11261	1.1
207.98140	1.6
210.98932	4.6
216.95761	3.8
217.11795	1.1
217.13669	2.5
217.96465	0.6
219.13573	0.6
220.95335	2.1
223.97670	1.4
224.96481	2.6
224.98444	2.0
227.10225	2.2
228.99985	1.1
231.11624	6.9
233.12965	0.9
233.97377	1.4
234.00574	0.6
234.96848	45.5
235.11128	0.8
235.97606	5.7
236.98384	1.1
238.96332	1.2
238.98534	1.0
245.13159	0.7
248.94797	8.8
249.95502	1.4
251.97496	3.3
252.97916	100.0
253.98653	1.5
254.98282	0.9
257.98404	4.6
260.98444	15.3
261.10269	0.8
266.95850	5.6
267.96616	0.6
275.99463	2.9
277.98581	2.9
278.99475	20.7
286.96332	1.5
287.68393	0.6
290.95847	2.1
302.01062	1.7
304.97333	5.8
327.00098	8.2
332.16315	0.8
332.20847	0.8
332.96967	1.3
350.17627	2.9
350.21597	0.9
350.97961	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.36753	0.3
52.99850	0.3
55.01853	0.4
55.05511	3.2
57.07072	2.0
67.05498	3.5
69.06709	0.5
69.07059	6.1
69.74134	2.5
71.04971	0.6
71.08616	1.0
79.05482	1.6
81.07051	5.4
83.04966	0.6
83.08620	2.1
85.06528	1.3
91.05469	1.1
93.07036	2.8
95.08602	5.2
97.06522	1.4
97.10168	0.7
98.20737	0.7
99.08071	0.8
105.07025	1.7
107.08598	3.0
109.06510	10.8
109.10150	2.2
111.08060	1.5
119.08591	2.0
121.06479	0.4
121.10114	2.8
122.07304	0.8
123.08052	46.5
123.11680	0.8
124.08404	0.7
125.09619	0.4
131.08519	0.6
133.10086	2.0
135.08055	3.5
135.11670	1.9
136.08766	0.4
137.09576	2.3
137.13211	0.5
140.14610	0.3
145.10088	0.8
147.11684	1.7
149.09647	1.0
149.13264	1.2
154.17809	0.3
159.11676	0.6
161.13261	0.6
165.12720	0.4
167.14261	0.4
173.13229	0.3
175.14737	0.3
179.14293	35.8
180.14575	0.9
180.86185	0.3
193.15837	0.9
208.48561	0.4
225.58629	0.4
233.18976	0.8
234.38881	0.3
275.19998	0.9
289.25220	1.2
289.65216	0.4
289.68442	0.4
293.17740	0.6
293.21075	10.3
294.21606	0.4
307.22678	0.6
314.45142	0.3
331.26376	2.4
349.27332	100.0
350.27682	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	350.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00555	0.7
50.43416	0.7
50.44903	0.7
53.03922	0.7
55.01855	1.3
55.05485	1.0
55.93526	1.7
56.05025	5.5
57.03413	1.2
60.04509	3.1
60.05641	0.9
61.01126	2.0
61.02922	1.5
63.83064	0.8
65.03923	3.7
67.05496	1.0
68.99766	1.3
69.03408	3.3
69.07049	1.8
69.77589	2.7
69.78015	2.8
70.06582	63.3
71.04971	0.7
71.06902	2.5
72.08138	12.3
72.93778	2.2
74.06092	3.6
76.02228	1.2
76.03973	0.9
76.65988	0.8
81.03400	2.2
82.06588	0.8
83.04960	2.0
83.06058	1.6
84.04032	1.0
84.04497	11.7
84.07631	1.0
84.08128	14.9
85.02893	11.0
85.08485	0.8
86.06080	0.7
86.09225	0.7
86.09700	12.2
87.04477	1.1
87.05561	0.9
87.10006	1.1
88.03981	1.1
88.69019	0.7
89.03896	1.4
90.05556	1.1
91.03934	0.8
91.05458	1.8
93.03381	1.2
95.06065	1.2
97.02877	2.9
98.06073	1.1
101.07127	1.5
102.05519	2.7
104.05309	7.1
106.04929	0.9
107.04939	1.0
109.02826	0.8
110.07159	7.7
111.03703	1.4
111.04426	21.0
112.08709	1.0
115.08679	0.9
116.07096	6.0
117.03368	1.1
118.04156	1.2
119.04908	1.6
120.08081	9.7
121.03951	1.5
124.11170	0.9
126.05518	0.9
127.03886	2.8
127.08658	0.8
129.10236	6.9
130.04997	4.6
130.06512	2.1
130.08606	1.4
131.06860	0.8
132.08121	0.8
135.04393	3.0
136.06136	2.3
136.07567	7.8
139.03883	57.3
141.10161	2.4
142.03134	1.3
143.11731	1.0
145.02859	1.6
145.04910	1.3
147.04395	1.2
147.07611	4.4
147.11261	1.7
153.06523	1.2
155.11798	0.8
156.04126	1.9
156.07655	3.2
158.06039	0.7
158.09978	5.0
159.09129	0.9
163.03874	8.2
164.04242	2.0
169.09735	1.8
169.13411	1.8
171.06500	82.2
172.07018	0.8
175.08713	0.9
177.10219	1.8
178.97861	1.1
180.08661	1.9
187.10730	4.6
188.03743	2.1
188.09154	0.8
189.96971	1.1
196.98979	1.3
199.10788	2.9
201.12379	1.1
203.12079	7.4
205.96576	2.1
206.97360	2.1
207.11319	1.8
207.98198	1.2
210.98941	5.4
216.95708	4.9
217.11769	1.4
217.13657	2.3
217.96574	1.3
218.97389	0.9
220.95276	1.6
223.97690	2.1
224.96857	3.2
224.98744	1.3
227.10272	3.0
229.00064	1.3
231.11562	3.1
233.97346	0.9
234.96840	48.1
235.10983	0.8
235.97568	5.8
236.98253	1.0
238.96217	1.1
246.17990	1.2
248.94794	8.5
251.98137	4.2
252.97910	100.0
253.98595	1.6
254.98315	1.5
257.98352	4.3
260.98425	16.2
266.95828	6.9
267.96463	1.2
275.99548	2.6
277.98550	4.2
278.99478	18.0
279.13412	1.4
284.76230	0.7
284.96719	0.9
286.96375	1.5
290.95807	3.0
302.01151	2.1
304.97421	5.2
308.96692	0.8
326.16846	0.9
327.00140	8.3
328.00488	1.0
332.20636	0.9
332.96890	0.9
349.98224	1.0
350.14215	1.5
350.17740	0.9
350.97937	16.1
363.21817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.4
55.01846	3.9
55.05505	29.3
57.03421	7.4
67.05494	60.3
69.07059	20.5
70.06584	3.5
70.91793	5.0
70.92138	5.1
71.04962	3.6
71.08607	15.9
79.05472	25.2
81.03429	3.1
81.07043	74.8
83.04953	7.4
83.08607	31.0
85.06528	4.9
91.05480	19.1
93.07024	47.5
95.08592	26.3
97.06505	11.9
97.10149	25.4
99.08070	17.6
105.06989	11.6
107.08567	20.5
109.10128	11.5
111.08062	10.6
113.09598	3.1
117.06967	9.1
119.08565	7.7
121.06477	2.8
121.10130	15.1
123.11681	5.3
125.09624	17.3
129.07097	2.6
130.73946	2.4
131.08536	5.9
133.10135	19.7
135.08012	3.3
135.11671	16.7
136.06122	13.1
139.11145	4.0
145.53726	2.7
147.11635	7.8
149.13226	37.5
151.11140	15.6
155.10716	2.7
159.11630	17.9
161.13216	7.9
163.11212	4.7
165.12741	3.2
173.11771	17.7
174.32486	3.1
175.14824	2.7
177.12750	10.5
179.14265	8.2
189.11189	29.4
195.13782	100.0
196.14201	2.6
199.40988	2.8
199.80225	2.5
213.14818	64.3
227.69232	2.9
241.19519	3.7
259.20523	6.4
269.33975	2.9
277.21558	53.5
295.22650	23.8
348.19193	3.5
349.19595	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.0
55.05494	14.7
57.03436	29.7
67.05500	28.8
69.03388	7.8
69.07051	12.3
69.41398	26.1
69.41830	22.9
70.06571	12.5
79.05488	31.3
81.07050	43.1
83.04960	5.7
83.08614	4.3
84.08097	4.4
85.06512	8.8
91.05475	52.5
93.07047	36.4
95.04956	9.1
95.08581	24.8
105.06972	28.3
107.04927	6.1
107.08585	25.9
109.06496	14.6
109.10112	10.3
117.06989	14.6
119.08571	29.5
120.08169	4.8
121.10118	11.4
123.08071	10.4
129.06917	7.3
131.08572	21.1
133.10165	21.3
135.11656	7.5
136.06190	11.7
143.08545	5.2
145.10110	15.8
147.11728	5.8
159.11659	9.1
171.12012	5.4
174.12721	7.6
179.14220	11.3
185.13179	8.5
219.17424	100.0
222.12747	5.3
238.17802	5.0
240.19632	6.1
275.19965	18.6
348.69406	4.4
349.23630	32.8
349.27356	11.7
349.34073	14.5
367.75763	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.1
55.01864	18.0
55.05506	46.4
57.03423	25.5
57.07077	5.9
59.05013	4.3
67.05497	72.2
69.03407	3.8
69.07060	45.0
70.06584	11.0
71.04974	6.7
71.35490	6.8
79.05481	85.6
81.03403	18.0
81.07043	70.9
83.04971	25.0
83.08604	11.3
85.06535	7.4
91.05464	63.0
93.07030	68.5
94.06526	4.1
95.01305	15.1
95.04949	18.1
95.08586	53.2
96.55506	3.3
97.02924	3.8
97.06523	22.9
97.10152	12.3
105.07016	64.6
106.08643	3.1
107.04939	29.5
107.08575	56.0
108.08101	4.8
109.06490	16.1
109.10130	21.4
110.07128	3.3
111.08059	4.4
115.05414	4.8
117.06994	13.7
119.08555	45.0
121.06493	3.8
121.10130	20.2
122.09608	5.3
123.08026	15.8
123.11692	6.8
125.09603	10.5
129.06949	3.8
131.08545	29.4
133.10114	36.2
135.08028	7.9
135.11639	12.0
136.06123	4.9
145.10101	16.9
147.11688	22.7
149.09587	41.1
153.09100	5.7
157.10115	6.8
159.11650	17.8
160.47931	3.6
161.13223	5.4
169.10088	6.3
169.12161	5.7
171.11896	7.1
173.13280	8.8
177.12704	4.6
179.14264	26.0
187.11101	4.6
189.11212	5.6
205.12140	4.2
209.15353	8.5
220.16910	8.6
238.18016	24.8
239.18176	4.8
240.19444	7.4
257.19043	14.2
275.20044	69.5
293.21060	5.7
349.19757	27.8
349.23700	72.8
349.29684	100.0
349.34067	3.8
349.79895	44.9
350.20270	4.4
350.24176	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01859	0.6
55.05506	4.5
57.07055	1.2
67.05492	3.8
67.69926	0.3
69.06723	0.7
69.07063	8.3
70.37370	1.7
71.04977	1.2
79.05478	2.5
79.58512	0.4
81.07044	6.9
83.04967	0.8
83.08606	2.7
91.05470	1.0
93.07023	4.4
95.08597	5.5
97.06519	1.4
97.10169	0.9
105.07014	1.7
107.08568	4.0
109.06503	9.4
109.10141	2.5
111.08046	1.3
119.08566	2.5
121.06537	0.5
121.10149	3.0
122.07336	0.5
123.08048	54.6
123.11675	1.3
124.08431	0.6
125.39206	0.4
131.08568	0.6
133.10162	1.9
135.08047	3.6
135.11679	1.7
137.09581	3.2
145.10143	0.8
145.41827	0.4
147.11690	1.5
149.09628	1.0
149.13269	1.4
159.11696	1.0
161.13223	1.3
163.14737	0.4
167.14336	0.4
173.13216	0.8
179.14285	8.7
185.32162	0.4
221.32277	0.4
226.89246	0.4
233.19080	0.6
247.20270	0.4
275.20108	1.5
281.21146	0.6
289.25067	0.5
293.21063	13.4
303.26917	0.6
305.48846	0.5
307.22644	0.7
331.26160	2.2
349.27322	100.0
350.27670	5.3
370.68188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03682	0.2
53.03926	0.5
55.01858	0.3
55.05507	2.3
57.03396	0.3
57.07070	4.0
58.94637	0.2
59.04976	0.3
65.03911	0.4
67.05493	3.9
69.03397	0.3
69.07059	3.4
71.02348	0.6
71.02744	0.6
71.04951	0.7
71.08621	2.4
75.80602	0.2
79.05478	2.8
81.07041	6.3
83.04963	0.5
83.08608	1.6
85.06522	2.4
91.05482	1.9
93.07030	3.4
95.04939	0.9
95.08041	0.5
95.08594	7.1
97.06512	0.6
97.10148	0.5
99.08083	1.3
105.07005	3.3
107.04963	0.3
107.08588	3.4
109.06502	17.5
109.10144	2.8
110.10497	0.2
111.08071	0.4
117.07006	0.6
119.08571	3.6
121.06509	0.3
121.10129	3.0
122.07309	1.7
123.08049	27.7
123.11655	1.0
124.08354	0.6
127.07532	0.3
129.06975	0.4
131.08524	0.9
133.10103	2.2
135.08032	3.3
135.11658	1.0
137.09584	1.3
137.13222	0.5
142.07745	0.4
143.08548	0.6
145.10054	1.7
147.08015	0.4
147.11626	1.1
149.09604	0.6
149.13252	0.6
151.14793	0.4
157.10088	1.1
159.11649	1.0
161.13225	0.9
163.14809	0.3
165.12723	0.8
167.14308	0.6
169.10054	0.3
171.11687	0.7
173.13217	0.7
175.14771	0.5
179.14282	100.0
180.14616	3.0
183.11679	0.4
185.13248	0.3
187.14871	0.4
193.15822	2.5
195.11819	0.3
197.13289	0.4
209.13293	0.4
211.14752	0.5
233.19069	0.4
238.18045	0.3
289.25146	0.3
293.21085	1.4
330.75186	0.3
331.26355	3.1
349.27341	95.5
350.27728	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	348.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05499	1.3
56.05017	4.7
57.03425	1.6
58.06576	0.8
60.04512	9.4
61.01144	0.7
61.02923	2.2
66.62260	0.4
67.05489	0.9
68.05019	0.6
69.03416	4.7
69.07052	1.2
70.02946	1.3
70.06579	28.1
71.04982	0.8
71.06927	0.6
71.57615	0.7
72.08141	8.2
72.93789	1.6
73.02912	0.8
74.02421	0.6
74.06065	9.5
79.05470	2.1
81.03392	2.6
82.06572	1.2
83.06096	1.2
84.03979	0.9
84.04485	15.9
84.08125	12.2
85.02367	0.8
85.02888	20.2
86.09688	29.1
87.05571	3.0
87.10023	1.7
88.03983	4.6
88.07628	0.4
89.03894	8.6
90.04264	0.5
90.05521	0.6
90.94799	1.0
91.03915	0.9
91.05466	1.3
93.04519	0.9
93.07051	0.5
95.06072	0.8
96.08096	0.6
97.02874	12.5
98.02380	0.7
98.06026	1.7
98.98466	0.5
99.04437	1.2
99.05571	0.7
100.07587	1.3
101.07149	2.1
102.05527	4.9
104.05294	1.8
107.04919	3.6
109.02861	1.2
110.06019	1.0
110.07145	12.5
110.28767	0.5
111.05532	0.6
111.07439	0.6
112.03947	0.6
112.08714	1.3
113.07125	0.6
114.09182	0.9
115.08656	0.8
116.07058	3.0
117.03352	10.9
118.03711	0.7
119.04929	0.6
120.08034	3.1
123.04403	18.9
126.05492	10.3
127.03893	4.3
127.04898	0.7
127.05931	0.4
127.08694	0.5
128.10683	0.5
128.70082	0.4
129.06546	2.9
129.10217	7.7
130.04987	2.5
130.06497	0.7
130.08627	0.8
130.10536	0.5
132.10182	9.5
134.08124	1.2
135.04393	25.4
136.06157	100.0
137.04509	0.7
137.06496	2.1
137.07428	0.4
139.11191	0.4
143.11751	0.6
144.06534	14.3
145.02821	15.4
145.04913	8.7
145.06012	0.9
146.03197	0.9
147.04384	2.0
147.07639	0.6
148.06058	1.3
151.03850	0.8
153.06558	1.3
154.04941	3.3
156.07727	0.6
157.09691	1.2
158.60519	0.4
159.11226	3.7
162.07613	3.5
163.03871	97.7
164.04201	6.1
166.06094	0.7
169.04945	7.9
170.09206	0.6
171.07661	3.5
171.11172	0.5
173.12848	1.6
178.13356	1.2
178.97931	0.5
180.08617	2.2
181.09708	1.6
186.07596	1.2
187.10748	1.6
187.14420	0.9
189.08669	14.5
191.08156	0.5
197.12854	1.1
198.08681	1.0
199.07056	2.0
199.08824	0.9
199.10692	0.7
201.12282	1.1
204.14032	0.6
205.08136	0.6
205.09990	0.8
205.98627	0.5
208.98820	0.5
209.09027	0.8
212.98384	0.6
215.13901	0.9
216.95880	1.1
217.08162	15.6
217.11726	1.7
218.97398	0.6
219.13367	0.6
223.15483	1.0
224.98454	1.4
226.15492	0.6
232.97264	2.4
233.15062	1.3
234.96838	12.4
234.99126	1.1
235.11882	1.8
235.97093	0.7
240.13454	0.5
243.13266	1.0
248.94775	2.0
250.98355	4.7
251.14864	0.8
252.97896	28.8
253.98163	2.1
257.98383	0.8
258.98871	0.8
266.14929	0.5
266.95807	1.7
270.96628	0.5
275.99377	1.6
276.99908	1.1
284.15860	1.5
288.97961	4.7
294.00467	1.3
294.14365	0.8
305.82742	0.8
306.95514	0.9
306.98923	13.9
307.99124	1.0
312.15417	0.7
330.00421	1.2
330.16357	3.2
338.97888	4.3
347.69229	0.8
348.02148	0.7
348.06876	8.3
348.13187	2.0
348.16968	0.9
348.70367	1.7
348.98572	0.6
349.08096	0.5
349.14557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05511	0.6
56.05018	2.7
58.06557	0.4
60.04514	21.5
61.01144	0.9
61.37514	0.4
69.03423	0.7
69.07055	1.1
70.02935	1.1
70.06583	13.8
70.09010	1.6
70.09419	1.1
70.32694	0.5
71.06904	0.8
72.04494	0.8
72.08145	3.7
72.93781	1.2
74.06070	1.6
79.05478	1.3
81.03382	0.8
84.04490	11.6
84.08127	6.7
85.02875	1.2
85.08453	1.2
86.09691	74.6
87.05576	13.4
87.10045	3.0
88.03970	1.4
89.03905	6.0
90.94820	0.5
95.04945	0.6
97.02884	6.4
98.06058	0.8
102.05524	6.4
104.05299	2.0
107.04943	2.4
110.06004	1.2
110.07176	2.4
110.09661	0.7
112.07582	0.6
112.08727	1.0
113.07105	0.6
115.08658	0.7
116.07082	1.6
117.03369	8.1
118.03708	0.6
120.06561	1.2
120.08081	1.7
123.04414	1.4
125.07065	0.5
126.05451	1.2
127.08616	0.6
128.09790	0.9
128.10686	9.1
129.06726	0.6
129.10226	2.7
130.04970	7.2
130.08617	0.9
132.10155	1.0
135.04388	17.9
136.06160	100.0
137.04681	0.5
137.06496	2.3
141.10114	0.5
143.11884	0.7
144.06509	1.0
145.02806	11.4
147.07582	1.2
147.11284	0.7
148.06027	26.0
151.03873	0.9
155.87538	0.5
156.10262	0.5
158.09171	0.8
158.76390	0.6
163.03876	73.4
164.04221	5.1
171.11223	0.9
173.12831	91.6
174.13203	4.0
175.11876	0.6
187.14386	1.2
189.08667	1.6
196.99042	0.5
201.12314	37.1
201.13966	1.3
202.12599	1.0
215.13795	0.5
217.08218	1.5
217.11829	0.9
224.98389	0.9
229.11786	0.8
231.06406	0.6
232.97260	0.8
234.96851	8.8
235.97090	1.0
248.94800	1.7
250.98322	3.6
252.97910	23.4
253.98259	1.5
258.98557	0.5
261.14368	3.3
266.95676	0.7
275.99362	0.7
277.00064	0.6
288.97885	3.5
294.00641	1.0
306.98944	8.7
307.12189	0.7
307.99130	0.7
330.00476	0.7
330.16534	1.0
338.97922	2.3
348.07019	6.2
348.17343	4.1
348.23129	0.9
349.13364	0.5
349.18027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0701
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
55.01857	0.2
55.05500	0.3
56.05012	0.7
57.03416	0.3
60.04519	0.9
69.03409	0.8
69.07054	0.3
69.75003	0.9
70.02916	0.3
70.06213	0.2
70.06580	3.7
72.08144	2.1
72.93750	0.2
73.08480	0.2
74.06065	0.9
83.06107	0.2
83.27572	0.1
84.04494	1.7
84.07640	0.2
84.08128	4.5
85.02888	0.9
85.08447	0.7
86.06018	0.2
86.09692	6.0
87.05569	0.4
87.10014	0.5
89.03889	0.6
91.05465	0.2
96.08086	0.2
97.02872	7.4
98.98464	0.3
101.00808	0.2
101.07128	0.4
102.05550	0.8
106.05000	0.3
107.04929	0.5
110.07140	0.9
112.07561	0.2
112.08693	0.2
116.07079	0.3
117.03371	0.8
119.01899	0.9
119.03515	0.5
120.06553	0.5
121.06444	0.3
126.05472	0.4
127.03880	0.2
128.10686	0.3
129.06546	0.3
129.10214	2.5
130.04979	0.6
130.08595	0.4
130.10539	0.7
131.01888	0.5
132.10188	2.9
135.04393	1.6
136.06160	100.0
137.04590	0.8
137.06665	0.8
143.01852	0.2
144.06523	0.2
145.02777	0.9
147.07635	0.3
147.11253	0.4
148.06061	0.4
149.05907	0.2
156.07663	0.2
160.08014	0.2
161.02937	0.5
163.03868	7.5
164.04265	0.5
167.06992	1.5
171.07535	0.2
172.08170	0.2
173.02911	0.2
173.12825	2.1
174.13170	0.3
175.04369	0.2
177.05460	0.6
183.11270	0.3
187.00854	0.3
187.10759	0.2
187.14467	0.2
188.14717	0.2
189.08728	0.3
197.12788	0.2
199.00894	0.2
201.12296	0.9
207.96008	0.2
209.08067	0.5
215.00395	0.4
215.13960	0.4
217.08224	0.4
227.09184	0.7
230.56429	0.2
234.10133	0.2
234.97002	0.8
245.04918	0.3
247.03040	0.6
250.09511	0.2
252.97952	1.9
257.04990	0.3
274.11417	0.2
275.99844	0.2
288.06070	0.2
288.09244	0.2
288.97946	0.2
290.63373	0.2
293.89694	0.1
304.14413	0.2
306.99045	0.8
343.68192	0.1
347.23096	0.2
347.97916	0.2
348.07071	7.1
348.19647	0.3
348.23370	1.6
374.83954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23906	0.1
55.02991	0.2
55.05480	0.3
56.05029	0.7
57.03422	0.3
60.04515	0.7
63.18631	0.1
64.47942	0.1
66.95233	0.1
69.03413	0.9
69.07049	0.2
70.06584	3.3
71.70830	0.3
72.08146	1.9
73.08463	0.3
74.06080	0.8
79.05497	0.1
82.06550	0.3
83.06094	0.3
84.04488	1.6
84.08128	4.3
85.02880	0.7
85.08482	0.9
86.09694	5.1
87.05565	0.3
87.10012	0.4
88.03981	0.3
89.03893	0.3
97.02879	8.2
98.98466	0.3
101.00869	0.3
101.07122	0.4
102.05537	0.7
103.00732	0.2
106.05085	0.1
107.04922	0.3
110.07150	0.9
112.07534	0.2
112.08684	0.4
116.07079	0.3
117.03354	0.6
119.01915	1.1
119.03539	0.5
120.06544	0.4
120.08105	0.2
126.05510	0.2
127.03833	0.2
127.08611	0.1
128.10695	0.3
129.10231	2.3
130.05011	0.3
130.08635	0.4
130.10555	0.6
131.01894	0.4
131.09004	0.2
132.10190	2.0
133.03448	0.2
135.04402	1.1
136.06166	100.0
137.02994	0.2
137.04677	0.7
137.06625	1.1
141.10223	0.1
141.34084	0.1
143.01862	0.4
144.06541	0.2
145.02853	0.7
147.04332	0.2
147.07611	0.4
147.11273	0.5
148.05994	0.4
148.07921	0.2
149.05989	0.3
156.07681	0.2
161.02924	0.6
163.03883	4.5
164.04178	0.2
167.06982	1.3
168.99763	0.3
171.07634	0.2
173.02943	0.4
173.12825	2.2
177.05508	0.4
183.11252	0.3
185.02933	0.3
186.06073	0.2
186.11107	0.2
187.00790	0.3
187.14384	0.2
188.14693	0.2
189.08661	0.2
198.25302	0.1
201.12288	1.2
203.04066	0.2
209.08034	0.3
215.00385	0.6
215.13919	0.3
215.53586	0.2
217.08180	0.3
221.05000	0.2
227.09090	0.5
234.96869	0.6
243.18933	0.2
247.03000	0.8
250.09207	0.2
252.97983	1.3
263.06088	0.2
274.11295	0.3
288.09372	0.2
288.97818	0.3
306.98990	0.7
330.18860	0.2
347.22903	0.2
348.07047	8.0
348.16214	0.3
348.23376	1.5
349.07300	0.4
366.05438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
56.05011	2.1
56.79372	0.6
58.06584	1.4
60.04514	14.7
67.05487	3.4
68.05026	0.6
69.03427	0.7
69.07059	3.5
69.40561	0.5
69.49374	1.6
69.49794	4.1
70.02941	1.5
70.06583	11.4
71.04981	0.8
72.08146	3.5
74.06065	3.2
78.52981	0.5
79.05486	2.3
80.05003	1.3
81.07049	4.2
82.06570	1.8
83.08636	0.6
84.04498	1.5
84.08143	3.1
86.09693	100.0
87.05575	9.6
87.10026	1.3
91.05468	2.0
93.07039	3.7
94.06549	2.3
95.08589	2.2
96.08112	2.9
102.03779	0.6
102.05529	2.1
105.07015	2.0
107.07345	1.2
107.08588	2.4
108.08106	2.5
109.06512	0.5
110.07127	1.4
110.09666	1.0
111.08089	0.8
117.07045	1.0
119.08582	1.0
120.06571	2.4
120.08099	3.9
121.06505	1.4
121.10120	1.1
122.09676	1.7
124.07577	0.6
124.11267	0.6
127.73676	0.6
128.10687	7.8
129.10211	1.3
130.06483	0.6
132.08018	0.6
134.09618	0.8
135.08037	0.9
135.11723	1.1
136.07541	0.8
136.11177	0.7
145.10127	1.9
146.11737	45.2
149.09555	0.7
155.11845	0.7
156.10057	0.6
158.06100	0.8
162.08978	0.6
163.11160	1.9
173.12831	64.1
174.13145	1.1
178.08591	0.6
183.11302	0.7
188.10718	0.6
191.10664	1.2
201.10558	1.3
201.12297	24.4
201.48230	0.7
218.15492	1.8
219.32323	0.6
220.16928	5.5
221.17352	1.3
222.18478	3.3
233.14923	5.3
236.16460	2.0
237.17377	0.6
238.17984	11.3
238.68260	0.9
239.18367	2.8
240.19560	12.4
241.20029	1.0
246.17857	2.6
246.67921	5.1
247.18501	18.1
247.68657	4.3
254.17459	1.4
255.18149	2.1
256.19031	3.5
259.20169	2.0
262.17935	0.8
264.16098	0.7
270.17810	0.8
271.18451	0.8
278.17706	0.7
282.17053	0.8
290.57053	0.7
307.17575	1.1
310.16461	1.3
314.70316	0.7
315.20871	0.9
328.17932	2.2
337.18787	5.9
337.69116	1.7
338.19473	1.5
345.70605	1.3
346.19366	8.4
346.23077	0.8
346.56461	1.6
346.69302	3.1
346.90332	1.0
347.07437	1.5
347.20035	3.6
347.23859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80132	3.7
55.01860	4.9
55.05504	29.8
55.89618	3.5
57.03425	4.2
62.17620	3.6
63.52321	3.6
65.03920	4.9
65.70106	4.1
67.05493	62.5
69.03416	4.9
69.07068	31.8
70.06570	25.5
70.85519	7.4
71.04980	4.1
77.91180	4.1
79.05489	38.6
79.71096	4.0
81.03402	6.2
81.07043	79.5
83.04973	4.2
83.08605	19.3
84.08138	5.8
86.24308	4.0
91.05464	30.3
93.07027	46.4
95.04960	6.9
95.08593	32.6
97.06528	8.8
97.10155	17.8
102.86595	4.5
105.07027	24.5
107.08585	50.7
109.06514	7.7
109.10155	26.2
111.08052	6.8
113.09806	4.3
117.06988	5.5
119.08562	18.8
121.10112	18.7
123.08035	6.6
123.11686	7.9
125.09633	15.7
131.08568	13.6
133.10094	27.5
135.11684	8.9
137.09682	5.0
145.10101	11.4
147.11632	9.6
149.09570	10.6
149.13234	24.6
151.11192	7.5
155.10667	7.2
157.10115	5.0
159.11667	15.9
161.13327	5.2
163.11211	9.0
165.12834	4.5
173.11729	50.2
173.13174	8.9
177.12750	7.3
183.11665	6.6
189.11180	23.7
195.13780	69.8
213.14819	52.7
214.15176	7.0
220.16930	9.0
222.18465	10.0
238.18001	10.2
239.18410	7.3
239.68932	5.8
240.19569	35.6
241.19817	5.8
257.18964	7.3
275.20023	100.0
275.22821	7.8
276.20328	6.4
293.21179	16.1
317.45523	5.7
345.68732	20.2
346.19119	46.3
346.69534	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	346.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
55.05490	3.9
56.05032	10.1
56.41420	2.1
57.03441	2.0
60.04499	2.3
60.05636	2.1
69.03423	3.6
70.06587	25.4
71.06909	3.3
71.67319	3.6
71.67715	3.2
72.08147	42.3
75.25623	2.3
84.04493	8.7
84.08135	15.9
85.02899	12.5
86.06066	3.2
86.09693	14.4
89.08664	2.0
97.02921	4.0
101.07064	2.3
102.05548	3.9
115.08661	2.2
116.07086	5.0
119.01923	2.5
127.03922	3.8
129.10217	13.3
130.08629	2.3
135.04385	4.4
147.07608	3.9
147.11293	3.0
163.03940	11.8
171.14902	7.0
183.11214	2.8
184.05896	4.7
185.16449	4.6
186.08672	2.0
201.12303	4.6
213.15900	2.4
214.08206	7.8
217.00395	3.9
229.11858	5.1
245.04930	2.9
328.03580	3.1
346.04675	100.0
346.08295	4.2
346.17953	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	346.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57337	0.3
55.01866	0.6
55.05489	0.4
57.03419	0.4
59.99098	0.3
60.04502	0.5
61.02927	0.9
62.37834	0.3
65.03919	0.7
67.05499	0.6
69.03410	1.8
69.07039	0.5
70.06584	1.9
70.83077	1.1
72.08121	0.4
81.03407	0.9
81.07034	0.6
82.06563	0.4
84.08138	1.0
85.02892	5.4
86.09695	1.2
91.05465	100.0
92.05788	2.2
94.06549	0.4
95.08594	0.5
96.08117	0.4
97.02853	1.8
99.04428	0.4
104.31893	0.4
109.02861	0.7
120.08076	0.9
127.03867	0.7
145.04958	0.7
184.02470	53.8
185.02768	1.6
220.16876	1.0
222.18449	0.6
238.17915	1.2
239.18568	0.6
239.68819	1.3
240.19417	1.6
247.18477	0.8
256.18994	0.7
313.28357	0.4
346.19040	0.7
346.25333	0.4
346.55954	0.5
346.69702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66875	0.3
53.03934	0.2
55.05504	0.6
56.05027	3.4
58.06591	0.5
60.04515	1.7
61.01144	0.8
67.05486	0.4
68.04980	0.3
69.03416	0.4
69.07056	5.3
70.06581	17.8
70.11479	0.6
70.11870	0.7
71.06911	0.7
72.08142	4.0
73.08463	0.3
74.06068	11.8
76.03977	0.3
79.05489	0.4
81.07037	0.5
83.06129	0.3
84.04494	3.0
84.08136	6.6
85.02883	1.1
85.04066	0.2
85.08443	0.3
86.09692	100.0
87.05576	0.4
87.10019	2.5
88.03969	0.5
90.05548	0.4
90.33856	0.2
91.05458	1.0
94.06553	0.4
95.04942	0.5
95.06110	0.3
95.08605	0.3
97.02860	0.5
98.06042	0.9
98.09710	0.3
98.21515	0.3
98.88785	0.2
99.05579	0.4
100.07611	0.4
101.07100	0.4
102.05537	1.0
103.05422	0.3
104.05322	0.9
105.07008	0.3
107.04890	0.2
110.07143	2.3
112.08714	0.8
113.07122	0.4
114.05552	0.3
115.08691	1.0
116.07077	3.5
116.98693	0.3
119.04893	0.3
120.06572	0.8
120.08085	3.3
121.06490	0.7
122.02723	0.9
123.04420	0.4
126.05483	3.2
127.08698	0.3
129.10208	3.1
130.04997	0.8
130.08630	0.6
131.04897	0.2
132.10205	0.3
136.07555	1.5
137.05992	0.3
138.09102	0.4
141.10205	0.5
142.12271	0.4
143.08307	0.2
144.06549	1.6
145.04877	0.5
147.04402	0.3
147.11278	0.7
149.05972	0.3
152.08260	0.3
155.07016	0.3
155.08170	0.3
155.11719	0.3
156.07719	0.3
157.10835	0.3
157.13368	1.0
159.09210	0.3
162.07578	1.2
163.03882	0.7
165.05469	0.3
167.07004	0.3
169.13358	0.4
175.12000	0.4
181.09839	0.2
182.08020	0.4
183.11276	0.4
183.14993	0.4
184.66559	0.2
185.09219	0.3
185.12860	0.4
187.10963	0.3
187.14430	0.6
195.11360	0.8
197.12801	0.3
199.18053	3.4
203.13876	10.5
211.14432	1.0
215.13872	1.9
221.14960	0.3
223.07654	0.3
227.17535	1.7
231.02841	0.4
233.14873	0.5
233.64038	0.3
234.64983	0.6
238.17944	0.5
239.13857	7.9
244.18002	0.8
244.68094	0.4
250.08615	0.6
257.15024	1.0
260.19650	0.5
270.68448	0.4
284.16144	0.4
295.11038	0.3
310.20795	0.6
310.70825	0.5
328.18408	0.8
328.22028	0.5
341.11349	0.5
346.18527	0.4
346.22314	1.5
346.26050	0.5
347.12158	1.2
351.20886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2631
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03931	3.8
55.01858	3.8
55.05507	70.8
57.03436	25.4
57.07076	8.8
65.03914	3.5
67.05498	88.4
69.03406	2.3
69.07059	81.2
70.06587	12.2
70.91985	5.2
71.04971	6.2
71.08618	4.2
79.05485	33.4
81.07048	96.5
82.07359	3.2
83.04961	6.8
83.08611	46.6
84.08145	2.5
84.08949	1.9
85.06535	7.6
86.09674	2.3
91.05473	20.0
93.07035	40.3
94.06541	2.5
95.04958	4.9
95.08597	91.4
96.08108	3.2
96.08938	2.1
97.06533	12.4
97.10164	37.4
99.08064	4.5
105.07032	18.3
107.08578	35.9
108.08054	3.9
109.06481	2.9
109.10147	58.3
110.92730	1.5
111.08060	6.5
111.11707	11.8
113.09624	3.3
115.07471	1.7
117.06989	3.1
119.08577	17.2
121.10129	30.5
123.08044	3.9
123.11702	14.0
125.09598	7.4
125.13235	2.6
129.05472	2.8
129.10149	1.7
131.08517	2.7
133.10129	18.1
135.11671	24.7
137.05943	2.3
137.09584	4.4
137.13220	7.2
139.11157	6.2
145.10107	3.3
147.11684	13.5
149.13258	7.9
151.11183	3.6
151.14771	5.5
151.32283	1.6
153.12700	5.1
154.98570	1.5
155.10631	5.9
159.11629	2.7
161.13228	10.9
165.12729	2.9
169.12164	1.9
173.11731	50.9
173.13147	2.2
175.14816	5.8
179.14276	3.6
189.11150	5.5
191.06999	2.0
193.19542	2.8
217.19514	19.3
218.19826	1.7
220.16928	8.1
222.18465	4.4
235.20551	24.0
236.16472	1.8
238.18007	13.4
239.18694	13.7
239.68738	3.1
240.19585	19.8
247.36417	1.5
253.21613	9.2
257.18881	1.9
266.17413	1.8
275.20068	15.3
276.15701	1.9
293.21103	3.5
309.24265	18.5
327.25266	60.8
328.25574	5.2
345.18625	37.8
345.26309	100.0
345.68695	12.1
346.19202	23.4
346.26675	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	345.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38033	0.2
53.03910	0.3
55.05235	0.3
55.05500	4.8
56.05030	0.5
57.05791	0.5
60.04509	1.0
69.03426	0.3
69.07046	0.4
70.06578	3.2
71.04633	0.6
71.04970	0.3
71.06864	0.3
72.08139	100.0
73.08483	1.3
74.06059	0.4
79.05493	0.3
81.07059	0.4
82.06535	0.2
83.59162	0.3
84.04493	1.1
84.08115	2.3
85.02879	0.3
86.09687	20.0
87.05579	4.5
87.10023	0.5
88.03970	0.4
89.06013	1.0
90.06324	0.5
91.05470	0.4
93.07026	0.4
95.08597	0.3
96.08174	0.3
97.02848	0.3
104.07108	0.7
107.08561	0.5
109.15224	0.3
110.07142	0.9
112.08758	0.3
115.05029	3.4
116.07081	0.4
120.08120	0.7
122.02724	1.1
124.07510	0.3
125.09617	0.5
126.10052	0.3
127.08654	0.8
129.10223	6.6
129.11127	0.4
132.10167	2.8
133.08572	0.7
134.08928	0.4
136.07559	0.6
141.10262	0.4
148.05984	0.3
157.09691	1.6
169.09663	2.7
178.13058	0.3
185.16452	0.4
186.12332	8.5
186.13918	0.5
187.10741	0.6
189.12297	4.3
189.13725	0.4
200.14050	0.4
205.12437	0.3
206.12515	0.4
214.11819	16.0
224.13692	0.7
231.16994	3.9
231.18968	0.4
255.17827	0.3
256.10809	0.8
262.16437	0.3
263.68048	0.5
270.18039	0.9
272.18573	0.4
282.18155	0.4
299.20676	0.4
327.20270	0.8
328.20563	1.2
345.11603	0.8
345.21500	1.0
346.25958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31920	0.5
53.03935	0.9
55.01853	1.3
55.05268	0.6
55.05506	6.7
56.05009	2.4
58.06581	1.3
60.04520	4.4
65.03916	1.7
67.05179	0.7
67.05496	8.6
68.05017	1.0
69.03403	1.7
69.07057	8.4
69.50636	1.6
69.51044	3.7
70.02920	0.9
70.06585	24.2
71.04987	0.7
71.06902	0.8
72.08140	5.5
73.08472	0.7
74.06045	2.2
74.06422	0.6
74.15143	0.5
79.05481	5.7
80.05005	2.0
81.03382	0.7
81.07040	6.3
82.06561	4.1
83.04958	1.4
83.08589	1.3
84.04494	3.1
84.08129	9.3
85.02892	1.6
86.06044	1.3
86.09695	29.9
87.04459	0.8
87.05559	1.6
87.10021	1.1
89.06004	2.0
90.01891	2.1
91.05460	6.7
92.05812	1.9
93.07035	4.1
94.06548	4.2
95.04941	1.8
95.08597	3.9
96.08113	5.9
97.02864	1.4
97.06515	0.7
97.10153	1.4
98.06017	1.4
98.09663	1.0
99.04466	0.6
102.05515	1.2
103.05432	0.9
105.07049	3.0
106.06520	1.2
107.04942	1.2
107.07300	2.3
107.08577	2.9
108.08097	5.0
109.02830	0.8
109.06472	1.4
109.10078	0.9
110.07153	3.2
110.09638	1.8
111.04423	1.4
111.08087	0.7
112.07535	0.7
112.08722	0.7
112.62695	0.5
116.07098	0.9
116.11882	0.6
117.06982	0.8
119.04912	0.9
119.08594	2.1
120.08090	6.8
121.02845	0.6
121.06503	0.9
121.08909	0.6
121.10126	1.9
122.09637	2.4
123.04415	5.7
124.07552	0.7
124.11220	3.2
125.09659	0.8
127.03829	0.9
128.10658	1.5
129.06973	0.7
129.10237	4.1
131.04929	1.2
131.08595	0.8
132.08066	1.5
132.10208	0.7
133.08598	0.9
133.10097	1.3
134.09618	1.1
135.11626	0.8
136.07521	1.8
136.11185	0.8
137.05936	2.6
138.09047	0.6
139.03851	2.0
143.11792	0.7
145.10117	2.1
146.09598	0.7
146.11739	6.8
147.04350	1.1
147.11530	0.8
148.07620	0.7
159.09132	0.8
165.05417	0.9
169.06401	0.7
170.05968	0.8
170.09492	0.7
170.11783	1.4
172.11101	0.7
173.12817	10.9
174.09039	0.6
174.12808	0.6
184.07541	0.8
184.13344	0.7
185.16432	0.8
187.07481	0.6
189.10205	1.2
190.15877	1.6
192.17462	1.1
200.14337	0.8
201.12318	4.5
202.08723	0.7
202.15855	0.6
208.16948	1.9
210.07742	0.9
210.14767	0.7
211.08632	2.6
212.09227	1.0
218.15405	6.3
219.15817	0.9
220.16945	17.0
221.17229	2.5
222.14899	1.3
222.18465	2.1
225.10266	1.5
226.17966	1.7
227.11720	0.8
228.10155	1.0
228.16542	0.9
229.17381	0.9
233.14757	1.2
236.16396	8.1
237.17188	5.6
237.67418	1.1
238.17979	54.0
238.68146	6.3
239.08133	5.6
239.18456	5.0
239.68956	0.9
240.08751	1.0
240.19550	8.2
241.19827	1.0
245.12851	9.9
246.17734	100.0
246.67889	25.6
246.70448	0.6
247.18173	2.8
250.17979	0.7
253.09666	3.4
254.17462	5.5
255.11194	1.1
255.18028	2.0
256.19061	3.4
257.09167	2.3
257.19556	0.9
263.17221	0.7
264.18747	1.0
267.07492	1.6
267.18298	1.0
271.10764	2.7
272.18628	6.1
273.18881	0.7
276.18774	1.1
281.09036	2.3
282.45270	0.7
283.10751	1.0
285.08615	1.1
285.67291	2.6
289.11810	1.4
299.10251	7.3
305.68930	4.1
306.19284	1.5
309.08640	6.6
310.09012	0.7
314.20358	14.6
314.70538	4.2
317.11368	1.3
327.09695	11.9
327.13165	0.6
328.09955	1.3
328.15689	0.9
337.18744	2.1
344.57651	0.9
344.70868	1.1
345.10651	15.2
345.14850	1.0
345.20566	3.5
345.54712	0.8
345.70383	1.7
346.11038	2.0
346.19205	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	344.2538
Annotation	Leu Val Leu
Peak:m/z	Relative Intensity
55.01849	0.4
55.05507	4.3
56.05026	0.9
57.05816	0.6
60.04514	0.9
60.05644	0.4
61.34224	0.4
67.05492	0.8
69.03423	4.3
69.07059	1.3
69.69756	3.6
70.06580	6.1
70.60307	0.4
72.08146	69.8
73.08484	0.9
74.06056	0.5
76.02228	1.0
79.05468	0.8
81.07054	0.9
82.06558	0.5
83.04962	1.1
84.08132	2.0
85.02893	0.7
86.09695	100.0
87.09990	0.6
91.05497	0.6
93.07045	0.9
95.08604	0.7
96.08112	0.7
98.20712	0.5
98.90021	0.4
100.07617	0.7
100.47841	0.5
102.05563	0.5
103.02155	0.5
105.07004	0.4
107.08595	1.2
110.07159	0.9
111.08076	3.1
116.07088	0.8
120.08105	1.2
122.02706	4.4
123.08073	0.4
125.09614	1.9
129.10191	1.2
130.05022	0.4
132.10185	2.5
137.09605	1.8
139.07539	1.4
149.09525	0.5
151.07523	0.5
153.09073	1.9
167.07016	2.1
179.10590	0.7
185.16472	60.3
186.16740	1.3
195.13747	0.5
209.85789	0.4
213.15958	40.6
214.16254	0.7
220.16904	1.3
223.13292	4.8
224.13496	0.5
231.17033	5.4
238.18129	2.2
239.18475	0.7
240.19522	1.4
255.10538	2.3
256.19101	1.2
257.19086	0.6
325.69107	0.5
343.70099	1.1
344.15189	1.3
344.20193	1.4
344.25006	1.0
345.05930	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	344.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
55.05505	7.5
56.05022	0.9
56.05827	0.5
57.05806	0.6
60.04503	1.1
66.92103	0.4
67.05498	2.1
68.05025	0.5
69.03408	0.7
69.07063	1.6
69.38866	4.6
70.06579	7.1
72.08144	100.0
73.08475	0.9
74.06036	0.9
79.05476	1.8
81.07047	2.0
82.06567	0.7
84.04488	1.2
84.08156	2.3
85.02908	0.6
86.06029	0.4
86.09695	23.9
91.05465	10.8
93.07042	0.8
94.06570	1.1
95.04956	0.7
95.08603	1.3
96.08117	0.9
101.02347	0.5
105.07050	0.9
107.07302	0.5
107.08591	1.0
108.08122	1.3
110.07146	1.1
110.09630	0.7
120.08083	1.6
120.19218	0.4
121.10131	0.5
122.09695	1.0
123.04458	0.4
123.08091	0.7
124.11270	0.5
129.10252	0.7
129.34276	0.4
132.10211	1.6
136.07542	0.4
137.06027	0.5
139.03883	0.5
146.11737	20.2
171.14900	36.3
180.04825	1.0
185.16443	2.6
199.14404	23.7
200.14871	0.6
213.15996	1.7
218.15428	1.2
220.16959	3.2
222.18567	1.4
236.16522	1.1
238.17975	10.7
238.68250	0.5
239.18520	0.5
240.19485	3.4
241.19717	0.4
245.18826	2.8
246.17719	6.5
254.17555	1.3
255.35353	0.5
256.18961	1.4
272.18600	1.1
314.20450	0.9
326.06870	0.8
334.69461	0.8
343.70331	1.5
343.90604	0.5
344.13657	0.4
344.20587	1.0
344.25177	0.7
345.20322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
57.03423	2.6
61.02917	2.3
69.03419	6.0
69.76565	8.5
70.06577	1.6
73.02904	2.1
81.03420	1.9
84.04489	2.2
84.08126	2.4
84.48751	1.1
84.83627	1.0
85.02888	15.2
88.24374	1.2
91.03942	1.3
97.02878	4.1
98.98444	2.6
99.79061	1.3
109.02882	2.1
119.01883	4.0
127.03886	7.8
129.10201	1.7
131.01944	1.3
132.12671	1.2
143.01883	3.1
145.04913	3.1
155.01935	2.6
158.97208	4.5
161.02937	3.5
163.05919	1.3
166.63004	1.5
173.02917	3.9
174.98470	1.3
176.98315	4.2
177.00966	6.3
182.97374	2.0
182.99892	2.0
183.04942	1.4
185.02982	3.6
198.98466	2.4
199.98555	2.0
200.98250	16.9
201.00880	4.0
203.04001	2.6
212.98267	4.9
213.00053	1.8
214.96577	11.4
219.01973	100.0
220.02052	8.7
221.04939	1.2
224.98230	7.9
230.99394	5.3
238.96449	2.7
239.96455	1.5
240.99332	1.4
242.03545	5.4
242.99324	19.1
245.05052	4.9
251.46629	1.3
255.07001	2.1
256.97574	73.3
257.97632	5.1
260.97052	1.4
262.96539	1.4
263.06177	2.0
264.07733	4.6
264.57654	1.1
266.99564	1.3
267.96008	1.6
274.65375	1.2
274.97830	3.3
275.06476	1.4
280.97308	5.6
285.00372	4.6
291.44412	2.4
291.94147	1.6
298.98431	87.4
299.98688	6.9
303.01483	3.2
310.43820	1.6
319.44308	2.8
319.94409	3.2
321.99487	10.9
322.99417	1.6
328.44681	1.6
329.44427	1.4
330.51477	1.6
365.09360	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90666	0.3
55.01863	1.1
55.05479	0.6
56.05011	1.5
56.51819	0.3
57.03423	0.4
59.04983	1.7
60.04498	0.8
61.01147	0.6
61.02919	0.8
67.05471	0.5
68.81844	0.3
69.03436	2.1
69.07054	0.9
70.06585	22.1
71.04967	0.4
71.06907	1.1
71.60938	0.3
71.76030	0.7
72.08147	5.4
73.02915	0.7
74.06050	0.7
81.03403	1.0
81.07037	1.1
82.06534	0.6
83.06050	0.4
84.04494	2.5
84.08137	4.3
85.02893	7.0
85.08459	0.4
86.09702	6.2
87.04433	0.7
87.05581	0.4
89.06023	0.7
91.05462	2.2
93.07052	0.4
94.06544	1.1
95.08578	0.4
97.02889	1.6
99.04433	0.6
102.05518	0.8
103.07578	2.3
103.75656	0.3
104.05300	2.4
105.07018	0.5
107.04871	0.3
107.07312	0.7
108.08089	1.5
108.19940	0.3
109.02834	0.7
110.07128	1.8
110.09668	1.8
112.08682	0.5
115.08693	0.4
116.07082	2.4
118.51437	0.4
119.04932	5.1
119.08559	1.0
120.06577	0.4
120.08096	0.7
122.02727	0.4
122.09647	1.3
123.04465	0.5
124.29265	0.3
126.05462	0.3
127.03898	0.9
129.10222	1.9
129.71008	0.3
130.05028	0.7
130.08614	0.6
131.08542	0.4
134.04582	0.6
134.09615	0.7
136.07555	2.8
136.10236	0.5
136.11200	5.3
137.05920	0.4
143.11784	1.1
145.04929	1.3
146.06039	0.3
146.09631	1.6
147.04396	27.3
148.04692	0.9
149.08353	1.5
149.90710	0.4
153.75584	0.4
157.13399	0.4
162.09103	1.1
163.03896	0.6
164.10698	32.7
165.05463	14.1
165.06863	0.7
165.11186	5.4
166.05843	0.4
175.10754	0.5
182.04927	5.7
182.11748	100.0
183.12198	1.8
183.14943	0.6
201.10544	0.7
201.12340	0.4
211.14357	0.7
213.08566	0.4
213.12291	2.2
221.17276	1.5
229.10010	1.3
231.09741	4.2
238.17935	0.4
239.18398	1.6
257.19379	1.2
282.22675	0.6
301.16092	0.4
312.80609	0.4
326.17587	0.3
326.21518	1.0
336.54932	0.3
344.10095	1.2
344.17004	34.3
344.22467	7.5
345.17307	0.9
345.21689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03923	3.1
55.01860	6.9
55.05501	15.9
57.03423	6.8
57.07069	4.7
57.17981	2.1
59.04985	4.5
62.96206	2.3
63.90232	2.1
67.05493	22.0
69.03405	10.5
69.07047	7.6
70.06564	10.0
71.04994	16.8
71.45837	4.5
71.46166	3.6
72.08112	2.6
73.21557	2.3
79.05486	23.4
81.07037	31.2
83.04944	7.1
83.08610	6.0
84.08116	2.9
85.02879	3.8
85.06538	2.7
86.09686	7.4
91.05472	25.9
93.07030	52.1
95.04955	49.5
95.08593	67.2
97.06530	15.7
103.05440	6.4
105.07017	73.2
107.04896	3.0
107.08582	47.9
109.06493	13.9
109.10103	8.9
111.04409	3.8
111.08042	3.1
115.05424	4.9
115.96944	2.6
117.07010	21.7
119.08553	21.4
121.06500	14.8
121.10131	12.0
123.08054	27.4
123.11717	3.4
125.09666	4.4
128.06203	3.5
129.06970	7.2
130.07799	14.1
131.08563	12.2
133.06467	6.3
133.10091	14.6
135.04367	3.6
135.08025	21.8
135.11674	9.4
137.09576	7.6
142.07753	4.2
143.08511	9.8
145.06496	2.7
145.10100	68.1
147.08026	10.0
147.11623	5.8
149.09566	5.1
151.07530	38.8
153.09154	3.5
157.10089	11.2
159.07979	3.7
159.11664	9.8
161.09595	9.9
161.13197	6.5
163.11163	47.0
165.09161	14.0
169.10071	3.7
171.11644	6.2
173.09625	5.1
173.13235	5.5
175.11186	5.7
177.09096	3.5
179.07127	2.8
181.12248	3.0
183.11649	4.2
187.11127	5.9
189.09048	2.4
189.12712	8.8
191.14301	3.8
203.14305	8.6
207.13760	7.6
209.13280	3.8
209.15337	6.0
215.14304	4.8
217.12097	3.3
220.16948	4.6
221.13286	4.6
221.15312	29.3
222.18619	3.4
223.15025	3.3
224.43166	3.1
238.17970	7.0
240.19557	7.9
240.23155	8.2
241.15950	4.2
253.16029	3.3
263.16302	5.7
269.15253	6.0
325.21579	11.0
342.00049	2.6
342.79349	5.9
343.22629	100.0
343.26471	3.9
344.23019	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28508	0.4
53.03948	0.6
55.01868	0.4
55.05499	2.7
55.39741	0.4
56.05029	4.5
57.03436	1.2
60.04522	4.5
60.05639	0.7
61.01145	1.6
61.02916	1.8
64.13965	0.4
65.03925	0.5
67.05491	1.3
68.04979	0.4
68.55572	0.4
69.03419	3.8
69.07063	3.0
69.50978	0.4
70.02953	0.8
70.06583	36.0
70.90845	1.1
71.04969	0.8
71.06898	1.9
71.08622	0.4
72.08145	20.8
73.02892	0.6
73.08493	1.0
74.06069	4.1
76.02210	0.6
81.03403	1.3
81.07047	0.8
82.06570	0.5
83.06101	1.7
84.04498	9.8
84.08132	20.3
85.02896	18.3
85.04829	0.6
85.06532	0.5
85.08473	1.0
86.06044	0.7
86.09694	33.3
87.04448	0.7
87.05582	2.2
87.10029	1.2
88.03977	3.9
89.06042	0.7
90.05515	0.5
91.03936	0.7
91.05470	5.5
93.07043	0.6
94.06561	1.5
95.04974	0.7
95.06084	0.7
96.08134	1.1
97.02879	4.6
97.06519	0.4
98.06021	0.4
98.20866	0.4
98.88438	0.4
99.04443	1.2
101.07122	0.8
102.05540	3.0
103.05434	0.7
104.05318	2.1
105.07012	0.9
106.05013	0.4
107.04921	0.5
107.08581	0.6
108.08099	1.1
109.02868	1.5
110.07150	6.2
110.09622	0.4
112.07574	0.5
112.08759	2.1
113.07107	0.7
115.08684	2.2
116.07092	4.8
119.04926	15.3
120.05278	0.7
120.06602	2.5
120.08085	5.4
121.06506	0.4
122.02690	1.9
122.09648	0.6
123.04425	2.3
124.07578	1.2
126.03735	0.4
127.03907	3.3
127.08665	1.1
129.06531	0.5
129.10228	10.9
130.04971	1.8
130.06522	0.5
130.08627	1.4
130.10561	1.1
131.08524	0.8
132.08032	1.0
133.10138	0.7
134.05966	0.7
135.07996	0.6
136.07571	3.2
137.05948	1.1
140.07040	0.4
140.08162	0.4
140.10696	0.5
141.06560	0.4
141.10233	1.5
143.11789	2.0
144.06560	0.8
144.08055	0.7
145.04947	4.4
147.04390	100.0
147.11267	1.7
148.04727	3.9
148.06023	1.5
148.07564	0.8
152.07033	1.2
152.08142	0.5
153.10159	0.5
155.08128	1.0
155.11835	0.7
156.07678	0.7
157.09691	0.4
158.09225	0.5
159.07886	0.8
159.09238	0.4
160.07466	0.6
162.05513	0.7
162.09052	0.5
163.03992	0.7
163.05965	1.0
164.07054	0.5
165.05458	65.0
166.05833	1.7
166.08620	1.6
169.09726	0.8
169.13338	1.7
170.05992	0.5
171.11317	0.9
172.07588	0.5
172.11551	0.9
174.09108	0.9
175.10651	0.8
175.11914	1.2
177.09065	0.9
178.08661	1.0
179.08521	0.4
180.07364	0.4
180.08693	2.8
182.08138	1.8
183.11417	0.6
183.14902	1.1
185.09113	0.7
185.12894	0.5
186.12376	1.5
187.10796	0.7
189.12321	1.0
190.08614	0.5
194.08119	0.7
197.12807	1.3
199.10669	0.5
200.13899	0.9
201.12309	1.4
201.14069	0.4
202.08624	2.5
203.13943	1.4
207.11234	1.5
208.11072	0.4
211.14383	0.6
213.08681	0.9
214.11948	0.5
217.13622	1.7
220.09680	1.2
220.17070	0.7
226.15581	0.5
228.13441	0.6
230.15108	0.5
232.09630	1.5
238.17973	1.0
249.07478	0.6
256.19052	1.2
260.09052	1.6
262.10739	0.7
278.10291	0.7
280.11777	0.7
290.10117	0.9
294.14984	0.4
298.12909	0.8
306.16373	0.5
308.11258	2.7
309.09558	0.8
326.12244	3.5
326.16870	0.7
326.23196	0.5
327.16852	0.5
327.20297	0.8
343.23499	0.4
343.71664	0.8
344.13681	1.9
344.20657	3.0
344.24158	0.4
345.21899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01854	1.9
55.05505	4.3
56.05025	2.3
57.03431	2.9
57.07060	1.1
60.04504	2.0
61.01142	0.5
61.02920	4.3
64.76858	0.4
67.05486	2.1
68.05006	0.9
69.03067	0.9
69.03423	13.1
69.03802	0.9
69.07056	3.6
69.92099	3.3
70.06585	32.8
71.01353	0.7
71.04982	2.9
71.06908	1.9
72.07746	0.6
72.08148	12.0
73.02905	2.1
73.08462	0.5
74.06068	2.9
76.03997	0.5
79.05490	5.4
81.03418	4.7
81.07049	9.6
82.06568	1.1
82.46638	0.6
83.01328	0.5
83.04964	6.1
83.06079	0.7
84.04492	5.0
84.08135	11.1
85.02896	28.5
85.06523	1.1
86.03230	0.5
86.06038	0.6
86.09693	25.1
87.04440	1.6
87.05576	0.9
87.10032	3.8
88.03971	1.6
91.03946	2.1
91.05463	5.3
93.07028	10.2
95.04350	0.9
95.04957	17.9
95.08591	2.2
96.08105	0.7
97.02883	9.8
97.06519	3.3
98.06002	0.7
99.04436	2.3
101.07142	0.9
101.10723	0.5
102.05517	1.0
103.03913	0.7
103.05459	1.6
104.05351	0.7
105.07014	8.1
106.05029	0.6
106.07274	0.4
107.04940	2.1
107.08591	10.0
109.02871	2.5
109.06535	3.1
110.07137	4.0
111.04417	1.6
112.08720	1.2
115.08646	1.0
116.07086	4.5
117.06902	1.3
117.07487	0.7
119.04949	1.0
119.08555	5.6
120.08108	3.8
120.09306	0.4
121.06492	4.6
121.10126	11.6
122.02707	0.8
123.04436	0.9
123.08045	1.5
125.05978	11.1
127.03902	7.1
127.08694	0.6
128.06186	0.5
129.07011	0.7
129.10233	7.8
130.04962	1.0
130.06493	0.6
130.07759	2.9
130.08604	1.2
131.08527	0.6
132.10175	1.2
133.06477	1.1
133.10091	1.4
135.04405	1.6
135.08038	1.8
135.11685	7.4
136.07597	2.5
137.05971	3.1
137.09636	0.6
138.06483	0.7
139.03857	1.1
139.07523	0.9
139.08582	0.5
143.08542	1.4
143.11755	1.2
145.04948	7.7
145.10103	18.1
146.06042	0.6
147.04359	1.3
147.08069	1.3
147.11342	0.8
149.05894	0.8
149.09570	0.7
155.08121	0.7
156.07697	0.8
159.07950	0.7
161.09555	1.4
163.03871	1.6
163.11165	100.0
164.11542	2.8
165.09087	1.1
167.06955	1.3
169.13351	0.6
171.56686	0.6
173.04419	0.8
173.09506	0.7
173.12881	1.3
175.07515	0.7
175.11186	1.5
181.12209	16.2
183.10126	1.3
183.14917	0.8
187.07515	0.6
187.10979	0.9
199.17976	1.2
200.18356	1.5
201.12358	1.0
205.06621	0.6
205.12239	1.2
213.08751	0.7
220.17012	0.7
223.13248	2.1
226.15547	0.6
228.18001	1.2
229.12048	0.7
238.17920	1.5
256.18988	0.5
263.18097	0.9
265.08508	0.8
289.14313	0.8
293.07724	0.5
307.09714	0.9
307.15305	0.9
325.07458	0.7
325.10944	0.8
334.21027	0.9
343.13071	1.3
343.17560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.6
55.05511	1.5
56.05022	0.3
57.03412	0.4
58.06567	0.5
60.04512	2.5
61.01111	0.3
62.06065	1.0
67.05489	1.6
69.03392	0.6
69.07064	1.6
70.04881	1.1
70.05293	0.8
70.06581	9.3
72.08121	0.6
79.05479	1.5
81.07063	1.6
82.06569	0.7
83.08599	0.3
84.04471	0.9
84.08125	1.4
85.02895	2.1
86.09691	1.4
88.03958	0.4
91.05470	1.7
93.07040	1.6
94.06544	2.7
95.04953	0.4
95.08585	1.3
96.08112	2.0
97.02858	0.5
97.40365	0.3
98.06025	0.3
98.21432	0.4
104.05277	0.4
105.07008	0.8
106.04997	1.7
107.07309	2.1
107.08561	1.0
108.08107	2.8
109.06480	0.5
109.10126	0.5
110.07145	0.3
110.09642	0.8
112.07585	0.3
116.07063	0.7
117.06996	0.4
119.04923	1.3
119.08540	1.0
120.08068	1.6
121.10142	0.4
122.09654	3.5
123.10487	0.4
124.11198	0.6
127.09912	0.4
129.10210	0.6
131.08510	0.4
134.04608	0.6
134.09613	0.5
135.11670	0.4
136.11162	0.9
145.05000	0.5
145.10080	0.7
147.04385	8.9
148.11185	0.3
152.10684	0.4
163.03893	0.5
163.11166	0.4
165.05464	5.2
173.09200	0.4
174.12766	0.4
176.14362	0.3
181.04207	0.4
182.04935	7.3
182.06522	0.5
192.13655	0.4
192.17552	0.9
202.15851	1.0
218.15425	0.7
220.16920	26.9
221.17195	1.4
237.19589	0.8
238.17982	31.2
239.18245	1.6
256.19037	15.4
257.19397	0.8
263.21167	1.7
281.22189	8.3
295.20187	0.6
307.20050	1.4
313.21191	0.6
325.21170	13.2
326.21460	0.8
343.22220	100.0
344.10135	1.6
344.22549	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	342.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.36897	0.3
54.03469	0.7
55.01861	0.8
55.05503	1.5
56.05025	5.9
57.03429	1.1
58.93364	0.4
59.04985	0.6
59.41402	0.4
60.04520	5.1
60.05649	0.6
61.01140	0.7
61.02918	0.7
63.65141	0.4
67.05497	1.3
68.05017	1.9
69.03437	2.3
69.07063	4.2
69.91745	2.6
70.02950	0.5
70.06583	59.8
71.04993	1.4
71.06918	1.8
71.08594	0.5
72.08144	11.7
73.02903	0.4
73.06542	3.4
74.06069	4.2
76.03987	1.0
79.05479	1.0
80.05019	0.9
81.07043	1.6
82.02926	2.0
82.06551	0.6
83.06099	4.8
84.04493	10.4
84.08128	19.0
85.02901	4.2
85.08459	1.4
86.06054	1.4
86.09694	25.9
87.04451	0.5
87.05583	2.0
87.10036	1.3
88.03974	1.5
90.05546	1.1
91.05473	1.6
93.04534	0.5
93.07017	0.7
94.02934	0.8
94.06537	0.7
95.04960	1.4
95.06087	1.2
95.08592	0.7
96.04442	0.9
96.08115	1.5
97.02863	1.2
97.07637	3.4
98.02399	0.5
98.06042	1.5
99.04508	0.5
99.05562	6.6
99.08065	0.8
101.07125	1.4
101.10738	0.7
102.05523	4.0
103.05434	0.7
104.05282	0.6
105.06999	1.1
106.68475	0.4
107.04927	0.6
107.08585	0.7
108.04460	1.2
109.06496	0.6
109.10142	0.8
110.06056	0.8
110.06337	0.8
110.07148	13.2
110.09642	0.6
111.05547	23.1
111.07449	0.7
111.09238	0.4
112.07610	0.4
112.08689	2.1
114.05482	0.5
115.08682	1.8
116.03479	0.4
116.07061	4.2
117.09121	12.0
119.04929	1.5
119.08561	1.5
120.06548	1.0
120.08096	3.5
121.03976	0.7
122.02675	0.7
122.06022	0.5
122.07130	0.5
122.09670	4.2
123.04407	0.7
124.07604	0.8
125.06145	0.7
125.07097	11.4
126.05492	5.8
127.03960	0.9
127.05020	3.4
127.07784	0.6
127.08663	5.0
129.06596	1.0
129.10225	10.0
130.04977	2.7
130.06503	1.3
130.08609	1.6
130.10559	1.1
132.06561	0.5
132.08044	0.8
133.05185	0.8
133.06439	1.2
133.10101	0.7
134.06117	0.4
135.05553	0.6
136.07545	3.2
137.05965	2.0
137.07922	0.9
137.09569	0.5
138.05443	0.8
138.06415	1.0
138.09148	1.6
139.05002	38.3
139.12286	2.4
140.05333	0.6
140.07069	0.5
141.10199	1.6
143.11790	1.0
144.08031	0.9
145.04877	0.7
145.09735	1.7
146.05995	0.6
147.04431	0.7
147.11284	0.6
148.11665	0.4
149.05963	0.7
150.09125	7.3
152.10693	2.2
153.06551	2.9
155.08150	4.3
155.11804	1.0
156.07649	3.1
157.09685	0.6
159.09128	1.0
162.09122	10.7
163.03854	1.3
163.09596	2.3
163.10945	0.8
165.05409	0.7
165.09038	0.8
166.05952	0.6
166.07368	0.4
166.08633	1.0
167.11781	18.0
168.08942	0.8
168.10182	1.6
170.05968	0.6
172.10773	0.5
173.09286	0.6
175.11891	0.6
179.03339	1.5
180.03716	2.1
180.10158	22.1
183.11244	0.6
183.14899	1.6
185.07176	0.6
187.14394	1.0
188.06979	0.8
189.08662	0.6
191.08496	1.0
192.08849	3.1
194.09142	0.5
195.11263	100.0
196.09871	0.8
196.11607	3.0
197.12810	0.5
197.16591	0.5
200.13925	2.9
203.08160	0.5
204.08772	0.6
208.10851	1.1
209.09108	0.6
215.13817	0.7
218.08919	0.6
219.07869	1.0
220.08400	3.2
223.07158	0.8
223.08861	0.3
223.10739	6.3
226.15372	1.1
228.13351	1.2
229.15413	0.6
236.10765	0.5
237.11107	2.0
239.12479	0.5
243.13298	0.7
244.16562	2.1
245.16774	0.4
253.13269	1.8
253.16429	0.6
254.13748	8.5
255.12012	1.3
256.16528	0.6
265.08340	0.6
268.16547	1.3
278.14914	1.5
279.13245	0.6
280.10608	1.3
283.11481	1.2
283.69107	1.9
286.16946	0.4
292.10461	0.6
296.14871	3.1
299.13940	0.5
300.14185	4.3
315.14511	2.8
324.15552	27.1
325.15723	1.6
326.11337	1.5
333.20178	1.3
342.11276	1.0
342.15402	9.1
342.21976	2.2
343.13217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05494	0.7
57.03432	5.3
59.05003	0.6
59.60497	0.4
59.82188	0.4
60.04515	0.5
61.02903	1.4
69.03427	2.4
69.07069	0.5
70.06589	5.8
70.88653	1.3
71.04974	1.7
71.08621	1.5
72.08140	1.2
74.06033	0.5
79.05467	0.7
81.03397	1.4
81.07038	3.4
83.04981	0.5
84.04501	1.1
84.08131	4.1
85.02895	12.4
85.06534	0.7
85.08453	0.8
86.09691	1.3
87.04443	0.5
91.03933	0.6
91.05466	0.6
94.06550	0.5
95.23254	0.4
96.08119	0.5
97.02872	2.9
99.04488	0.7
99.07463	0.8
99.08083	12.4
99.08724	0.6
103.92799	0.4
108.08045	0.4
109.02869	0.8
109.06535	2.4
110.07166	2.3
116.07117	0.5
117.09116	100.0
118.09454	0.9
120.08097	0.5
122.09639	0.6
127.03889	1.9
127.07515	4.8
129.10239	1.3
130.04930	0.5
139.05052	0.7
145.04932	1.4
153.14651	0.5
156.07545	0.5
160.39461	0.4
163.03893	1.1
163.09647	19.4
179.03407	1.1
180.03719	1.4
180.08723	0.6
201.18727	0.5
220.16977	3.6
238.18005	4.4
256.18991	2.2
281.22269	0.9
325.21283	1.4
342.22171	0.5
342.26047	0.6
343.22272	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	342.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05010	1.0
56.87756	0.4
57.03405	0.8
60.04493	1.2
61.02901	0.7
68.04992	0.7
69.03421	2.0
69.07033	0.6
69.59557	0.7
69.59963	2.0
70.06577	20.4
71.06095	0.5
71.06889	1.0
72.08137	4.8
73.02903	0.6
74.06056	0.5
76.03979	0.4
79.05465	1.4
80.81108	0.3
81.03387	0.9
81.07028	1.5
82.06550	1.4
83.06082	0.8
84.04488	3.5
84.08125	6.0
85.02879	4.6
86.06040	1.5
86.09683	3.6
87.04441	0.7
87.05563	1.2
88.03968	0.9
91.05463	1.0
93.04517	0.3
93.07011	1.2
94.06536	0.5
95.06058	0.6
97.02863	1.8
98.06006	0.5
98.20761	0.6
99.08056	1.0
101.07147	0.3
101.10787	0.3
102.05514	0.8
103.03901	0.6
105.01847	0.4
105.07011	5.6
107.08560	1.3
108.08110	0.7
109.02854	0.6
110.03499	3.9
110.07139	6.5
112.07622	0.4
112.08691	0.9
114.05506	0.8
115.08655	0.8
116.06236	0.4
116.07059	0.9
117.05418	0.6
117.06954	0.7
117.09104	6.9
119.04905	0.4
119.08537	0.3
120.06479	0.3
120.08067	1.3
121.10082	0.8
123.04366	0.6
127.03919	1.9
127.04713	0.3
127.08613	0.4
128.04530	0.5
129.10225	3.4
130.04993	1.0
130.06540	0.4
130.07715	0.7
130.08595	0.5
132.06535	0.8
132.08083	0.6
133.02817	0.6
133.06050	1.8
133.08824	0.6
134.09590	1.2
135.03033	0.7
136.07529	0.8
137.06044	0.3
137.08151	1.5
138.06564	0.4
139.04958	0.3
141.10211	0.9
142.04984	1.5
143.11702	0.4
145.04887	0.9
145.10097	2.8
147.07617	0.4
147.10402	1.8
153.04013	1.5
155.08098	0.6
156.07668	1.8
160.11188	0.8
162.07742	0.5
162.12749	21.8
163.03845	0.9
163.06046	0.7
163.09596	1.2
163.13089	0.5
165.06458	0.7
169.09668	0.9
169.13292	0.8
173.09207	1.3
176.74100	0.3
179.03339	1.3
180.03738	1.6
180.08766	100.0
180.13794	42.9
181.09198	2.5
181.14145	1.2
183.11287	0.5
195.11337	0.6
211.14375	0.4
229.11795	0.5
230.11296	0.5
254.12326	0.5
268.16638	0.5
271.15076	0.6
272.16022	0.5
342.19034	74.6
343.19312	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	341.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05504	49.5
57.06794	2.9
57.07066	50.1
59.04983	2.2
67.05494	18.9
69.03400	1.7
69.07059	100.0
70.06557	2.2
70.07393	2.5
71.04981	2.9
71.08241	2.2
71.08625	38.7
74.47517	1.6
79.05456	7.8
81.06586	3.1
81.07046	48.4
83.04951	3.0
83.08605	80.9
85.06519	8.4
85.10172	21.0
91.05474	8.1
93.07029	16.3
95.04982	1.9
95.08591	46.8
96.08953	1.8
96.95175	1.7
97.06512	12.1
97.09547	3.5
97.10156	58.2
98.20728	4.0
99.11698	3.4
105.07027	16.2
107.08563	19.1
109.06505	5.0
109.10141	31.4
111.08065	9.2
111.08716	1.6
111.11702	31.8
113.13274	3.3
115.07575	11.3
119.08562	15.2
121.10126	18.0
123.08044	4.6
123.11687	16.0
125.09589	4.7
125.13251	13.9
127.07532	6.2
127.14821	2.6
129.09097	6.3
131.08607	2.3
133.10098	13.9
135.11649	10.6
137.09619	9.1
137.13239	10.6
138.78896	1.6
139.11137	4.1
139.14798	6.5
140.39952	1.5
141.08997	4.0
143.10675	3.6
145.10080	4.0
147.11667	12.3
149.13240	11.5
151.11148	8.0
151.14836	2.4
153.12708	6.5
153.16403	3.0
155.10663	4.8
157.12198	3.2
159.11591	1.6
161.13246	12.8
163.14786	5.6
165.12766	12.2
167.14296	5.4
169.12267	5.8
171.13789	5.2
175.14771	6.8
177.16371	3.4
179.14275	16.3
179.17880	2.3
181.15825	2.1
183.13808	8.8
185.15372	3.9
189.16339	3.9
191.17888	3.1
193.15874	8.3
193.19644	1.9
197.15356	6.9
199.16908	2.0
203.17914	2.9
205.19435	2.1
207.17450	5.0
211.16891	3.9
213.86874	1.7
217.19507	4.8
221.19022	3.2
223.20474	4.5
227.19864	2.2
231.21040	3.0
235.20592	2.4
241.21477	4.1
249.22104	3.5
263.27408	5.5
287.27335	9.1
305.28342	11.4
323.29468	2.5
333.38882	1.8
341.26855	5.3
342.37231	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	341.3198
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03942	1.5
55.05508	11.4
57.03426	1.1
57.07069	10.4
59.58170	0.9
64.78332	0.9
67.05496	17.2
69.07056	33.1
71.05011	1.2
71.08608	6.9
71.51535	2.0
79.05477	13.3
81.07044	100.0
82.07408	1.4
83.08599	13.5
85.10194	3.1
91.05451	6.9
93.07030	27.1
95.08592	66.3
96.08971	1.3
97.10165	7.5
105.07011	19.3
105.07636	1.4
106.16766	1.0
107.08575	31.6
109.10139	40.9
111.11738	4.1
117.07034	1.6
119.08565	21.4
121.10127	34.8
123.11687	24.6
123.12531	1.5
125.13321	1.1
131.08612	4.1
133.10107	15.7
133.11041	1.2
135.11679	18.0
137.13235	13.9
137.14175	1.0
145.10120	5.7
147.11670	16.0
149.13245	25.3
151.07590	2.6
151.14890	3.9
159.11667	9.4
161.13232	18.7
162.13676	1.2
163.14786	12.8
173.13255	6.3
175.14796	9.7
175.15948	0.8
177.16336	9.1
179.17943	1.5
187.14922	3.0
189.16341	11.7
191.17894	7.2
201.16406	2.2
203.17914	15.8
205.19617	2.3
213.50859	0.9
215.18037	3.7
217.19499	17.5
219.21393	1.2
229.19603	3.8
229.21715	1.1
231.21054	6.5
243.21100	1.8
245.22781	4.0
257.22766	3.5
257.88553	1.0
259.24316	2.3
271.24420	3.1
285.25983	3.7
341.32101	65.2
341.35864	3.3
342.32565	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	342.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
69.03419	0.4
70.06575	0.8
71.06100	0.5
71.65574	0.3
72.08157	0.2
76.03149	0.1
79.05479	0.3
81.03415	0.2
81.07014	0.2
82.06573	0.2
84.04496	0.3
84.08140	0.3
85.02891	1.0
86.09660	0.1
86.70789	0.2
91.80563	0.1
97.02853	0.2
105.07011	0.7
106.06554	0.2
107.08595	0.1
110.03510	4.1
110.07112	0.2
117.09113	0.3
127.03900	0.2
128.04527	0.4
129.10196	0.2
134.09680	0.3
135.02998	0.7
137.08194	2.0
142.30498	0.2
145.10085	0.6
147.10425	0.3
153.04047	1.5
162.07764	0.7
162.12756	3.0
165.06467	0.5
172.78117	0.1
178.07196	0.2
180.08772	100.0
180.13803	7.0
181.07552	0.1
181.09149	1.3
186.16315	0.1
204.03752	0.1
342.14697	0.4
342.19049	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0861
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03931	0.1
55.01856	0.1
57.03406	0.2
59.04976	0.6
61.02896	0.4
69.03419	0.9
69.56375	1.1
70.06580	1.2
72.08134	0.2
73.02893	0.2
77.03912	0.2
79.05456	0.2
81.03386	0.5
84.04454	0.1
84.08117	0.6
84.79445	0.1
85.02893	1.8
86.09679	0.2
89.03870	0.3
91.03920	0.2
93.04425	0.1
95.04916	0.2
97.02885	0.7
98.21509	0.2
105.03379	0.3
107.04935	0.1
109.02858	0.3
110.07118	0.3
117.03320	0.3
120.08061	0.2
123.04403	7.6
127.03883	0.4
129.10190	0.3
133.02823	7.5
135.04378	1.5
136.07555	0.2
145.04907	0.4
151.03873	3.0
171.79709	0.2
179.03352	100.0
180.03664	1.6
247.87920	0.1
252.04962	0.1
341.08615	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	341.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.05506	15.1
57.03391	2.6
57.07056	8.5
59.04981	3.8
65.03923	2.2
67.05493	21.7
69.06767	2.5
69.07063	27.2
69.62243	6.3
69.62656	13.6
71.04708	1.8
71.04989	21.6
71.08614	5.4
74.40366	2.1
79.05479	16.2
81.07045	98.0
82.07368	2.5
83.04964	2.5
83.08614	14.6
85.06522	6.0
85.10204	2.7
91.05456	16.6
93.06454	4.4
93.07027	72.5
95.04966	5.9
95.08590	75.3
96.08932	3.8
97.10163	15.1
105.07018	52.1
107.08585	56.6
109.06504	18.3
109.10143	43.5
111.08067	21.9
111.11669	6.0
113.09635	5.9
117.06991	8.0
119.08562	100.0
120.08913	6.2
121.10130	63.8
123.11675	19.2
124.01680	2.0
125.09663	2.5
129.06949	2.7
131.08524	14.7
133.10109	33.6
135.11687	32.4
136.52951	2.4
137.09572	8.6
137.13240	4.9
142.07794	3.6
143.08542	6.5
144.09280	2.6
145.10112	25.4
147.11679	23.1
149.09586	2.4
149.13232	47.5
150.13626	4.1
151.11136	5.9
155.08601	2.9
156.09309	3.4
157.10106	15.3
159.11687	41.3
160.12111	3.3
161.13232	30.8
163.11031	2.8
163.14784	36.9
169.10129	3.1
171.11665	9.7
173.13248	29.3
175.14836	17.8
177.12675	3.4
177.16388	4.5
179.14253	3.4
183.11592	3.2
185.13248	7.9
187.14816	27.8
189.16360	18.8
191.14265	5.2
191.17938	30.2
197.13133	3.5
199.14838	10.4
201.16393	13.1
203.14178	2.4
203.17900	9.7
211.14821	3.2
213.16331	13.8
215.17982	15.3
217.15959	2.6
217.19440	4.8
225.16405	4.6
227.17882	15.1
227.19853	2.8
229.19449	7.5
231.17340	3.1
241.19495	6.3
253.19365	4.4
257.22583	11.0
267.21002	11.1
271.24026	3.6
281.22675	4.1
283.24139	51.4
284.24509	4.9
295.24149	3.7
323.27289	61.3
324.27542	6.2
341.28342	89.6
342.28650	7.7
342.37201	8.9
358.87256	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	340.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95225	0.9
53.03932	3.8
55.01857	4.7
55.05492	4.4
56.05030	5.9
56.41203	1.0
57.03433	5.4
59.04981	3.2
60.04523	4.9
61.01137	1.6
61.02929	5.1
66.23177	0.9
68.99770	2.4
69.03419	37.6
69.07053	3.9
70.02945	2.4
70.06580	64.2
70.07233	3.9
71.04972	4.6
71.06923	2.3
72.08144	31.0
73.02901	4.6
73.08488	1.8
74.06073	5.2
79.05470	1.3
80.05004	1.0
81.02962	1.8
81.03405	19.5
81.07050	1.5
83.01332	1.2
83.04951	1.0
83.06078	3.5
84.04029	1.6
84.04494	21.3
84.08133	29.9
85.02892	100.0
85.08455	1.3
86.09692	37.0
86.30347	1.0
86.96205	0.9
87.00816	46.2
87.04462	1.3
87.05576	4.0
87.10017	1.3
88.03958	3.7
91.03926	1.9
91.05450	8.2
93.07014	1.8
95.04993	1.3
95.06075	1.9
97.02273	2.1
97.02876	34.5
98.03202	1.0
99.04440	14.0
102.04751	1.0
102.05505	4.8
103.05442	3.3
104.05301	1.5
105.01851	88.0
106.02155	1.1
107.04926	1.4
107.08515	1.9
108.04454	2.4
108.08062	1.1
109.02864	25.1
110.03197	1.9
110.06020	1.2
110.07157	18.6
111.07417	1.1
112.08701	4.1
113.07123	1.2
114.05457	1.0
115.03938	0.9
115.08678	3.1
116.07077	4.7
117.01875	1.6
119.04924	6.7
119.08538	1.9
120.08088	30.0
121.08403	2.5
122.05990	1.2
122.07126	1.1
123.04390	1.1
126.05526	1.2
127.03898	69.4
128.04251	1.2
128.10699	2.2
129.01816	3.8
129.06546	1.8
129.10220	19.3
130.04111	1.1
130.04970	1.7
130.08641	2.2
130.09618	1.3
131.04901	3.5
133.02849	3.7
133.06090	4.6
135.06737	1.1
135.08011	1.0
136.07578	10.5
136.08571	1.5
137.05965	8.5
141.10152	1.5
143.10695	2.2
143.11787	4.5
145.04944	33.5
146.06027	2.2
147.04375	4.8
147.11255	1.2
155.08162	2.2
156.07722	6.3
159.02890	7.4
161.05934	1.2
161.11723	1.2
163.03854	1.6
163.07550	2.7
166.08600	3.5
167.07036	1.6
170.05968	1.5
171.02914	1.5
171.11316	1.3
173.12840	3.1
175.03874	5.1
175.11951	2.0
176.04639	1.6
177.05432	1.3
179.03398	14.2
183.14819	1.2
187.07539	3.1
189.03923	2.5
195.11229	1.5
201.12384	2.0
206.05653	1.0
207.06474	7.9
207.11292	1.6
213.03864	2.8
215.13863	1.8
217.08466	2.1
223.15428	1.3
226.15511	2.1
231.04967	22.9
232.05177	1.5
234.13982	1.1
235.10770	2.0
242.81743	1.0
249.06024	11.6
251.14885	1.1
263.10794	1.1
276.26221	1.0
278.10123	1.4
291.09973	1.6
296.11340	1.2
305.12012	1.4
311.12747	1.4
323.12610	2.5
340.08032	2.1
340.20508	1.3
341.10019	2.3
341.13898	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	339.2887
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.00291	0.2
53.03931	0.9
55.01875	0.3
55.05505	24.6
56.05828	0.4
57.03430	14.9
57.07068	12.3
59.04978	0.3
61.43471	0.2
65.03925	0.4
67.05496	17.9
68.05848	0.5
69.07059	35.9
69.94315	1.6
70.06568	0.5
70.07394	0.6
71.04976	1.5
71.08622	5.8
73.06558	0.4
79.05485	7.6
81.07046	19.6
82.07362	0.4
83.04975	1.0
83.08609	21.9
84.05714	0.2
84.08958	0.4
85.06533	1.3
85.10174	2.2
91.05461	1.5
91.05954	0.2
93.07032	11.6
95.08596	20.2
96.08921	0.5
97.06525	3.6
97.10154	12.3
98.10546	0.2
99.08081	1.0
101.06034	0.4
105.06996	0.3
107.08579	7.0
108.08889	0.3
109.06567	0.3
109.10145	9.1
110.10475	0.3
111.08079	2.3
111.11710	3.8
113.09667	0.3
119.08559	0.4
120.41956	0.2
121.10132	9.8
123.11684	2.4
125.09604	1.8
125.13299	0.7
127.11174	0.3
129.09111	0.3
133.10156	0.3
134.82387	0.2
135.11662	7.4
136.12000	0.4
137.13213	1.3
139.11185	1.1
149.13220	3.6
151.14832	1.0
153.12747	0.9
163.14810	1.4
165.16388	0.7
167.14368	0.4
177.16367	0.8
179.17953	0.3
181.15971	0.4
191.17896	0.4
193.04930	0.3
240.94223	0.3
247.24242	2.3
265.25232	3.9
275.73837	0.3
283.16901	0.9
334.23242	0.3
339.28894	100.0
339.68723	0.3
339.77957	0.5
340.29190	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	339.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.5
55.05504	27.2
57.03422	11.7
57.07067	14.3
67.05495	30.0
69.07060	45.9
70.07378	1.2
70.23171	4.7
71.04960	1.3
71.08623	6.3
79.05488	13.0
79.05914	1.8
81.07045	60.4
82.07337	1.1
83.04928	1.2
83.08611	26.4
85.06506	1.1
85.10133	2.8
91.05451	6.3
93.07031	26.4
94.07322	1.1
95.04914	1.2
95.08595	54.6
96.08899	1.2
97.06462	3.6
97.10148	17.8
101.22881	0.9
105.07021	14.6
106.80277	0.8
107.08578	30.2
109.10142	31.5
110.10468	1.4
111.08032	2.0
111.11694	7.5
117.06985	1.4
119.08563	17.7
121.10131	29.3
122.10390	0.9
123.10853	0.9
123.11688	16.7
125.13192	1.2
131.08563	6.5
133.10123	9.5
135.10732	1.3
135.11674	18.7
137.13228	5.5
139.11108	2.2
143.08473	1.5
145.10118	9.2
147.11661	13.3
149.13240	17.0
151.14758	2.1
157.10063	2.2
159.11678	14.7
160.12079	0.9
160.88348	0.8
161.13251	11.4
163.14787	11.0
171.11618	2.2
173.13232	9.7
173.68018	0.7
175.14803	9.6
177.16365	6.0
185.13211	2.1
187.13402	0.7
187.14813	6.2
189.16351	9.0
191.17842	3.4
199.14705	2.7
201.16292	6.8
203.17955	6.4
213.16281	2.6
215.16228	0.7
215.17966	10.2
217.19528	5.2
227.17863	1.3
229.19510	10.0
231.20943	3.3
243.20993	4.4
245.22495	1.1
247.24036	2.0
255.20911	1.9
257.22430	3.0
265.25104	3.7
269.22397	3.1
283.24124	5.5
339.29178	100.0
340.29568	10.0
342.33218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55561	1.2
52.67920	1.4
53.03934	2.7
55.01858	8.4
55.05501	6.7
56.05030	35.4
57.03415	5.8
58.06576	2.4
60.04523	7.5
60.05632	2.4
61.01143	20.4
61.02905	4.0
67.05490	4.8
68.05000	1.4
68.99771	2.0
69.03417	33.3
69.07058	5.1
70.02957	1.3
70.06581	78.2
71.01334	1.2
71.04979	5.8
71.06905	4.1
71.69085	1.2
71.69501	1.5
71.94630	1.2
72.08150	28.3
73.02899	6.7
74.06064	9.2
79.05489	3.1
81.03407	23.1
81.07032	2.7
82.06573	2.1
84.04494	19.8
84.08131	37.2
85.02894	100.0
85.06496	1.2
85.08474	2.6
86.09693	45.1
87.00816	47.3
87.05580	2.8
87.10013	2.0
88.03963	4.1
89.03856	1.6
91.05449	8.3
93.07024	4.1
94.06540	3.5
95.04952	2.5
95.06063	3.2
95.08587	1.7
96.08127	3.1
97.02287	2.2
97.02882	30.9
97.07613	1.4
98.06029	3.9
99.04446	12.6
101.02391	1.4
101.07127	2.7
102.05521	6.6
103.05448	4.8
104.05313	30.1
105.01853	84.3
105.07004	3.8
107.04932	1.9
108.08098	4.5
109.02866	19.8
110.07153	18.6
110.09679	1.6
112.08716	6.8
113.07107	6.8
115.08681	6.3
116.07076	3.2
119.04928	5.4
119.08552	2.7
120.08097	30.4
121.08449	2.6
122.05987	1.7
122.09666	2.2
124.11186	1.4
127.03901	69.6
128.10727	1.7
129.01813	3.5
129.10223	18.2
130.04118	1.5
130.04990	4.0
130.08655	2.2
131.04907	3.8
133.03181	2.4
133.06039	1.7
136.07565	10.3
137.05965	8.0
143.11797	1.7
145.04945	30.3
147.02885	2.5
147.04385	4.6
147.07668	2.0
150.05836	2.8
156.07704	3.4
157.01328	3.5
159.02838	13.4
159.09067	1.6
163.07518	3.5
163.08826	1.4
166.89914	1.7
169.09660	1.9
170.06157	1.7
173.12904	2.4
175.03899	4.2
175.07559	1.3
175.11972	1.9
178.04996	6.2
183.14842	2.8
189.03918	3.5
190.15854	1.4
201.12347	1.5
207.06540	7.9
209.09653	1.3
220.16969	6.3
221.17316	1.6
225.17184	1.8
231.04993	25.3
233.09460	1.6
236.16425	1.7
238.17935	12.9
239.18388	1.7
240.19543	1.6
243.67390	2.1
244.18211	1.5
249.06003	10.7
250.17870	1.6
251.11298	1.8
252.17809	5.2
252.67902	18.7
253.18047	3.9
254.17656	1.8
261.09091	1.6
269.12469	2.4
279.10229	1.5
298.07782	1.7
305.12387	1.6
311.12714	3.2
316.16568	4.8
316.66571	2.1
324.68332	3.1
325.18167	1.6
331.19434	2.1
339.68555	12.7
340.19016	15.2
340.25537	3.1
340.69275	3.3
341.10300	2.1
341.14212	1.8
341.18085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2887
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03932	1.4
55.01847	0.7
55.05500	25.7
57.03426	14.5
57.07062	12.5
67.05135	0.8
67.05492	18.6
69.07054	35.5
71.04971	2.3
71.08617	5.2
71.62539	1.1
76.79073	0.6
79.05486	9.0
81.07040	24.5
82.07390	0.7
83.08603	25.2
85.10184	3.1
91.05449	2.4
93.07026	11.1
95.04948	0.6
95.08586	23.2
97.06502	4.2
97.10144	12.8
99.08047	0.7
104.49900	0.7
105.06991	2.4
107.08570	8.9
109.10135	10.8
111.08044	2.7
111.11713	4.2
119.08566	2.4
121.10113	10.4
123.11653	4.1
125.09605	1.5
128.57181	0.6
131.08548	1.1
133.10077	1.8
135.11664	8.6
137.13187	1.8
139.11131	1.7
145.10107	1.6
147.11678	1.2
149.13245	5.3
151.14764	1.1
153.12769	0.8
159.11682	1.8
161.05504	0.7
161.13213	1.9
163.14819	2.2
165.16321	0.9
173.13199	0.7
175.14626	1.4
177.16397	1.8
184.47797	0.6
185.13303	0.7
187.14769	1.2
189.16319	1.2
191.17880	0.9
247.24158	2.7
265.25238	2.3
269.19043	1.4
322.31769	1.0
339.28888	100.0
340.22720	0.8
340.29294	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03930	0.9
55.01842	0.5
55.05500	22.8
57.03151	0.6
57.03427	12.4
57.07066	11.7
65.03909	0.4
67.05124	0.7
67.05489	16.7
69.07053	34.1
69.73903	2.9
71.04974	1.3
71.08612	4.6
72.08143	0.8
73.06532	0.4
79.05478	6.8
81.07039	19.2
83.04946	0.9
83.08601	20.5
84.08932	0.5
85.06503	0.9
85.10173	2.4
91.05450	1.2
93.07024	9.4
95.08587	19.1
97.06506	3.5
97.10148	12.4
99.08050	1.0
107.08571	7.1
108.98219	0.3
109.10130	8.7
111.08058	2.5
111.11695	3.4
115.07582	0.5
121.10119	9.7
123.11681	2.2
125.09609	1.5
125.13198	0.6
127.11123	0.5
129.08958	0.4
135.11650	6.9
137.13226	1.0
139.11180	1.0
149.13219	3.1
151.14763	1.0
153.12662	0.7
163.14769	1.6
165.16351	0.8
167.14287	0.4
177.16353	0.9
181.15906	0.5
186.67487	0.4
191.17917	0.8
247.24107	2.0
265.25186	3.0
336.57889	0.4
339.28870	100.0
340.29364	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	339.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
54.31825	0.6
55.05502	0.6
56.05033	0.8
60.04524	0.7
62.57927	0.6
67.05486	1.1
69.86337	4.1
70.06586	6.1
71.04995	1.3
72.08141	3.2
74.06052	0.9
77.03884	0.8
79.05473	4.0
81.07043	6.9
82.06577	0.8
84.04505	1.7
84.08133	3.8
86.09701	2.5
91.05470	2.6
93.05787	1.5
93.07030	2.1
94.06571	2.3
95.04953	0.8
96.04476	0.7
96.08112	2.4
102.05490	0.6
104.10700	0.6
106.06564	1.1
107.07346	0.9
108.08105	2.4
109.05292	0.8
109.06501	1.0
110.06030	7.5
110.07155	1.7
112.07568	0.6
119.04957	0.7
120.04428	0.6
120.08078	2.4
122.06009	17.2
123.06786	2.7
124.07577	16.7
124.65272	0.6
126.05524	0.7
129.10229	1.6
134.05997	18.4
136.07561	84.4
137.07912	5.3
138.05473	1.0
140.07028	6.5
141.12718	1.4
150.05489	5.9
152.07045	100.0
153.07405	1.3
154.08624	1.2
158.08115	1.4
163.03941	1.4
163.77205	0.7
164.07047	98.2
165.07368	0.9
166.08572	1.7
168.06531	2.7
170.08104	14.8
170.09567	1.0
172.11105	1.1
177.05498	0.6
177.14943	0.5
182.08110	30.0
193.09732	1.9
194.10051	3.4
198.09094	0.6
199.77168	0.7
200.10675	1.7
214.12239	1.3
219.74084	0.7
222.09413	0.8
232.13260	1.1
233.08073	0.6
242.11693	1.8
243.11374	0.8
255.56641	0.7
260.12738	4.3
285.12357	3.0
303.13364	55.9
304.13809	2.8
321.10855	1.2
321.14441	19.2
322.14752	1.0
339.15369	3.5
339.19095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2525
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.09970	1.9
53.03926	3.6
55.05502	14.5
57.03418	5.8
57.07053	6.4
60.65386	1.8
67.05493	76.7
69.07061	14.9
70.06568	4.7
71.04967	3.6
71.08614	2.1
71.66556	3.5
75.04461	1.8
79.05482	47.2
80.05827	2.3
81.07043	84.8
83.04959	2.3
83.08603	6.4
84.08147	1.9
85.02888	3.7
85.06525	4.0
91.05460	23.9
93.07028	55.2
95.04954	2.8
95.08595	76.0
97.06515	3.0
97.10129	4.9
97.17979	1.6
99.08060	2.5
104.15182	1.7
105.07027	20.1
106.84137	1.6
107.08576	42.6
109.06459	2.5
109.10138	46.7
110.07171	1.8
111.08080	2.9
117.06979	8.9
119.08549	18.7
121.10120	42.9
123.08096	2.2
123.11686	18.5
131.08566	20.9
133.10097	15.2
135.11674	34.8
137.09552	3.0
137.13275	4.0
139.11153	3.9
145.10110	20.2
147.11653	20.3
149.13217	27.0
159.11667	19.8
161.13226	4.9
163.14816	7.7
165.12787	3.0
173.13269	12.1
173.43045	1.7
175.11143	3.5
175.14848	3.7
187.14783	6.2
191.14272	3.0
201.16145	2.0
219.20943	2.8
220.17009	2.3
221.11606	2.1
229.19479	34.7
238.17998	4.6
240.19580	5.0
247.20537	100.0
248.20918	5.6
265.21548	2.4
283.16968	10.2
284.49167	1.9
321.24152	9.5
339.18604	5.3
339.25345	36.8
344.75821	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07544	1.1
53.03942	1.4
54.05200	1.1
55.05507	15.0
57.03421	5.3
57.07072	11.7
64.31167	1.2
65.03918	2.5
67.05498	66.3
69.07058	11.3
70.06575	5.0
70.24697	4.9
71.04987	2.4
71.08609	4.7
72.08147	1.2
75.04492	2.0
79.05482	33.0
81.07047	72.5
83.04976	1.7
83.08613	6.1
84.08112	1.6
85.06514	4.5
88.07607	5.3
91.05480	17.8
92.87857	1.2
93.07030	50.2
94.07323	1.6
95.04957	4.2
95.08596	70.2
97.06522	3.6
97.10171	2.9
99.08060	2.5
102.09141	2.1
103.93945	1.2
105.07015	18.7
107.08579	39.1
109.06506	2.0
109.10143	41.1
109.54430	1.2
110.34470	1.1
111.08071	1.9
113.09629	2.5
117.07008	7.6
119.08552	17.1
121.10121	36.6
123.08016	1.5
123.11693	15.2
131.08549	19.3
133.10110	15.2
135.11678	29.6
137.09654	1.9
137.13228	4.7
139.11174	3.0
145.10091	21.0
147.11690	13.0
149.02327	8.9
149.13243	19.9
149.37051	1.2
151.11165	1.4
159.11671	20.9
161.13228	4.7
163.14818	6.5
165.12723	1.9
173.13234	14.0
175.14745	2.0
187.14828	5.1
193.03261	1.8
193.04945	23.5
194.05339	1.4
201.16301	2.7
215.65300	1.4
219.21059	4.9
224.65627	8.5
225.15775	1.5
229.19472	29.1
230.19792	2.6
230.24704	1.7
238.17897	1.7
240.19519	1.7
247.20549	100.0
248.18730	1.4
248.20940	7.5
256.26266	7.0
265.21619	4.0
280.11838	1.8
321.24060	8.8
339.18768	2.9
339.24658	14.1
339.27597	43.3
339.77832	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	337.2732
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03938	1.0
55.01866	1.2
55.05503	21.6
57.03428	12.1
57.07067	2.8
65.03936	2.0
67.05493	53.2
68.05825	1.0
69.03417	0.3
69.07056	27.5
69.99825	1.8
70.07388	0.7
71.04977	1.1
71.08617	1.2
73.11246	0.3
79.05481	14.6
80.05807	0.6
81.07043	49.3
82.07375	1.2
83.04973	1.7
83.08604	11.1
85.06535	1.3
85.10159	0.4
91.05466	8.5
93.07028	13.4
94.07381	0.4
95.04958	1.2
95.08591	36.7
96.08921	0.7
97.06509	2.8
97.10155	5.7
99.08076	0.9
105.07010	5.9
107.08573	8.9
107.09276	0.6
108.08917	0.5
109.06504	0.7
109.10137	13.3
110.10482	0.6
111.08062	1.5
111.11732	1.1
113.09664	0.3
117.06991	0.5
119.08570	4.6
121.10124	6.8
122.10557	0.3
123.08060	0.9
123.11681	5.8
123.71481	0.3
125.09615	1.0
131.08556	0.6
133.10114	4.8
135.11662	3.8
137.09610	0.6
137.13222	2.4
139.11174	0.4
142.85527	0.3
145.10098	0.4
147.11638	3.0
149.13206	1.9
151.11133	0.5
151.14857	0.9
153.12773	0.7
159.11778	0.5
161.13228	2.4
163.14813	2.2
165.12753	0.4
165.16406	0.3
172.59502	0.3
173.13327	0.3
175.14796	1.8
176.53215	0.3
177.16412	0.9
181.15843	0.4
189.16364	0.7
207.17390	0.4
240.19632	0.5
245.22627	1.4
263.23587	2.1
319.26285	1.2
332.02719	0.3
336.57275	0.8
337.27310	100.0
338.27652	6.2
340.54376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
56.05033	1.6
58.06605	0.3
58.85029	0.3
60.04513	1.8
61.01141	0.6
68.05028	0.5
69.07052	0.5
70.06232	0.4
70.06586	4.7
71.04952	0.3
71.68109	0.5
72.08147	15.8
74.06072	3.0
79.05441	0.4
81.07039	0.8
82.06590	0.4
83.06078	0.8
84.04488	3.3
84.08131	3.3
85.02879	0.3
86.09690	4.5
88.03959	0.4
91.05464	5.6
95.08600	0.9
96.08130	0.3
100.07596	1.2
101.07117	0.5
102.05518	0.9
104.05320	1.4
107.04937	0.5
110.06021	0.9
110.07137	1.6
112.08733	0.8
113.07120	2.8
118.06457	0.4
118.08650	4.9
119.04926	6.8
120.08089	2.7
121.06470	0.6
122.06020	1.9
123.08038	0.4
124.07552	1.1
127.08651	0.4
129.10217	2.1
130.04997	0.7
133.03098	0.3
134.06012	1.7
135.04352	0.3
136.07559	100.0
137.07957	1.7
140.07036	0.6
140.11496	0.4
141.09082	0.8
145.09695	2.3
147.04340	0.5
147.07721	0.3
148.06044	0.7
150.05728	0.8
152.07048	7.3
158.05963	0.3
159.10135	0.6
161.07401	0.6
163.03883	0.9
164.07042	8.5
166.08658	1.6
168.06596	0.3
170.08089	1.0
173.09235	2.2
175.11954	0.3
176.07043	1.1
179.56613	0.3
182.08154	2.8
189.06834	0.4
193.09703	58.6
194.09999	0.7
197.12927	0.3
203.03436	0.5
207.11447	0.5
221.09186	15.3
222.07623	1.7
222.09470	0.4
235.14505	0.4
260.12872	0.4
267.13254	0.3
281.14932	1.5
303.13342	4.1
303.82562	0.3
321.14325	2.0
338.08582	0.9
338.17661	1.0
339.15475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.3
55.01861	1.1
55.05490	0.6
56.05035	2.1
57.03423	0.7
59.75656	0.3
60.04512	1.1
60.05626	0.4
61.01136	0.7
61.30018	0.3
67.05495	0.5
67.96467	0.3
69.03424	0.4
69.07059	0.6
70.06586	12.0
70.16014	1.2
71.04991	0.6
71.06907	0.4
72.08144	3.7
73.02891	0.3
73.21273	0.2
74.06069	1.4
75.06371	0.3
76.36167	0.3
78.40199	0.3
79.05472	1.2
80.77061	0.3
81.07048	0.5
82.06561	0.3
83.06115	0.7
84.04497	2.9
84.08134	7.9
85.02899	1.1
85.08465	0.5
86.09697	4.9
87.05595	0.6
88.03971	0.7
89.03908	3.5
90.70692	0.3
91.05468	1.2
93.07053	0.5
94.06522	0.5
95.01330	2.2
95.04975	0.5
96.08111	0.4
97.02882	0.4
101.07159	0.4
102.05521	1.1
103.05444	1.8
104.05302	1.5
105.07026	0.4
106.04998	0.4
107.04942	1.5
110.06025	1.1
110.07141	1.9
111.04437	0.4
112.08698	1.8
113.02353	0.4
115.05460	0.5
115.08691	0.7
116.07092	0.3
117.03365	4.7
119.04941	0.9
120.08089	4.4
121.02845	1.9
121.08420	1.7
122.05999	1.7
123.04424	3.5
124.07610	1.4
124.08466	0.3
129.03340	0.7
129.10214	4.0
130.04996	0.4
130.10617	0.3
131.04912	2.6
133.03058	0.4
134.05989	0.6
135.04405	14.5
136.07565	7.4
137.02318	0.6
137.07861	0.4
139.03871	0.6
140.07043	1.0
141.01770	1.1
143.04895	0.5
145.02831	6.1
145.06403	0.3
147.04396	24.2
148.04744	0.5
148.06210	0.6
149.02324	5.7
149.05978	1.3
150.05702	1.3
151.03873	0.4
152.07050	6.9
157.02808	0.5
157.06496	0.4
157.10826	0.4
159.04388	2.4
159.06334	0.4
161.05952	1.1
162.03116	0.4
163.03886	74.0
164.04263	1.4
164.07054	8.1
165.05455	0.7
166.08675	0.4
170.08110	1.6
171.04350	0.3
173.05933	0.9
175.03897	4.6
177.01825	5.0
177.03926	1.5
177.05464	4.3
177.07100	0.5
179.03432	0.4
181.04855	0.4
181.09818	0.3
182.08110	2.7
185.02348	0.4
185.05948	0.6
187.03853	4.1
189.05396	1.8
191.03407	1.2
193.04900	0.4
195.02849	0.6
201.05515	0.9
203.03371	100.0
204.03705	2.3
205.04953	5.7
208.08218	0.8
213.05463	1.2
215.03358	6.4
217.04944	0.8
219.02972	1.8
221.04422	0.9
222.13075	0.7
229.04892	2.7
231.02861	13.9
231.06490	0.6
232.03409	0.5
233.04402	4.6
241.12790	0.8
243.02788	0.3
243.11177	0.4
244.12871	0.3
247.05934	0.3
257.04321	0.4
259.05939	0.6
260.12781	0.4
261.03909	7.6
275.05408	0.8
279.04953	10.9
279.09619	0.5
291.04910	6.5
303.04947	1.0
303.13327	4.2
307.09174	0.3
321.05881	1.1
321.14413	2.3
338.69345	1.1
339.07053	6.3
339.11685	1.1
339.15536	1.3
339.19693	1.1
339.23770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2731
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.91202	0.1
51.95335	0.1
53.00326	0.2
53.03930	0.7
53.27520	0.1
55.01866	0.9
55.05502	24.2
56.05844	0.3
57.03427	16.2
57.07066	3.9
59.04985	0.3
65.03929	1.5
67.05492	50.4
68.05828	0.7
69.03417	0.3
69.07055	31.6
70.07387	0.5
71.04979	1.6
71.08620	1.6
71.79596	0.1
73.06563	0.3
77.03923	0.3
78.12865	0.1
79.05479	13.5
80.05830	0.3
81.07042	50.5
81.88623	0.1
82.07387	0.8
83.04966	1.5
83.08604	14.4
84.08930	0.2
85.06528	1.5
85.10175	0.7
91.04874	0.2
91.05463	8.6
93.07027	13.5
94.07375	0.1
95.04957	1.3
95.08588	39.0
96.08916	0.7
97.06516	3.2
97.10152	7.2
99.08073	1.2
101.06012	0.3
105.04530	0.3
105.07010	6.0
106.07370	0.2
107.08575	6.9
108.08897	0.3
109.06538	0.7
109.10136	14.2
110.10441	0.2
111.08054	1.7
111.11681	1.5
113.09641	0.5
115.07534	0.2
119.08562	4.9
121.10119	6.0
123.08058	1.0
123.11683	6.4
124.12036	0.2
125.09612	1.0
125.13247	0.2
127.07571	0.2
127.11155	0.3
131.08592	0.3
133.10101	4.9
135.11668	3.2
137.09601	0.7
137.13226	2.3
137.14209	0.2
139.11113	0.6
142.48068	0.1
145.10110	0.1
147.11653	3.3
147.12750	0.2
149.13243	1.8
151.11137	0.5
151.14760	0.9
153.12718	0.7
161.13239	2.4
163.14807	2.0
165.12747	0.4
165.16405	0.4
167.14261	0.2
175.14771	1.9
176.75150	0.1
177.16364	0.5
179.14316	0.4
179.17867	0.2
179.41525	0.1
181.15895	0.3
189.16328	0.7
193.15852	0.3
195.17268	0.1
203.18011	0.2
207.17482	0.2
214.89067	0.1
221.19017	0.2
230.14223	0.1
236.33624	0.1
245.22714	1.4
263.23663	2.8
264.23969	0.2
264.58047	0.1
337.27301	100.0
338.27652	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	337.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01866	1.4
55.05507	12.6
56.05030	10.7
56.96544	1.3
58.06576	1.3
60.04523	6.8
60.05638	2.3
61.01129	2.2
66.29131	1.1
67.05488	5.1
68.05020	1.8
69.03410	2.3
69.07059	6.8
70.02937	2.0
70.06584	76.3
71.05000	2.8
71.06919	2.6
71.63953	1.8
71.64340	1.3
72.08146	74.0
73.08475	2.7
74.06069	13.8
75.05575	1.2
76.03957	1.3
79.05474	8.0
81.07057	2.9
83.04972	12.1
83.06085	2.4
84.04494	25.3
84.08134	56.7
85.02888	3.7
85.04857	1.5
85.06521	2.3
85.08467	4.2
86.06065	1.8
86.09695	38.4
87.05566	8.9
87.10024	2.6
88.03976	4.6
90.05520	1.4
91.05450	8.9
93.04520	1.2
93.07037	17.4
95.04941	2.1
95.06097	3.6
95.08598	20.9
97.02901	1.4
98.06038	2.2
98.09661	1.8
99.04431	1.6
99.09171	1.7
100.07585	1.8
101.07129	4.8
102.05524	9.7
103.05437	3.6
104.05323	3.4
106.04987	1.7
107.04898	1.3
110.06033	1.9
110.07157	31.1
110.09673	2.3
112.08714	7.9
113.07099	3.4
115.04996	2.8
115.08669	5.2
116.07069	4.9
119.04939	5.0
120.08088	100.0
121.08464	2.4
121.10130	6.0
126.05485	1.3
127.03924	1.3
127.08648	2.9
129.06599	1.7
129.10220	22.9
130.04953	8.4
130.06499	1.7
130.08594	7.3
130.09604	1.3
130.10625	1.5
131.04970	2.0
133.06067	1.4
135.04443	3.2
136.07559	28.1
138.06549	1.4
139.11171	24.5
140.08139	2.0
141.06573	2.7
141.10201	1.5
143.11794	7.0
144.06522	1.1
146.06042	1.4
147.04398	4.5
147.07611	2.8
147.11253	5.5
148.06044	3.9
150.05609	2.1
152.06993	1.5
152.08113	1.9
155.11795	4.4
156.07683	2.0
157.12216	14.2
158.06007	18.8
159.07729	2.3
161.07324	1.3
162.05406	1.3
163.03897	3.6
164.07062	4.9
165.05475	1.4
166.99860	1.3
168.55431	1.1
169.13379	2.5
171.11174	1.2
172.75476	1.2
173.05975	1.5
173.09235	1.5
175.08707	2.7
175.11890	3.7
176.07021	11.2
176.10670	2.9
176.12277	1.1
182.08243	2.2
183.11208	1.5
184.84834	1.1
191.10318	1.7
192.97977	1.5
193.09702	6.4
194.99509	4.7
197.12851	1.7
198.16815	1.4
199.28406	1.3
201.12563	1.5
203.10283	1.9
203.12090	5.0
204.06467	1.3
208.07242	1.3
215.06963	2.4
215.13919	1.8
220.97475	2.8
221.09140	1.5
221.12877	3.5
222.07581	10.3
222.99049	2.0
223.10773	8.4
225.09830	5.4
226.98561	1.5
228.10271	1.4
231.09702	1.3
235.10706	1.6
237.95015	1.3
238.98497	3.5
241.09587	1.5
244.16458	1.6
246.18094	1.5
249.12289	2.5
249.68358	1.7
253.97125	1.5
259.10822	1.9
262.11890	2.4
274.10831	5.3
274.98413	1.5
275.09067	1.9
295.03958	1.4
301.11789	4.9
319.12820	10.0
327.21390	2.0
328.21271	1.7
336.73218	10.7
337.10419	2.3
337.13977	9.2
338.08655	9.6
338.18164	5.4
356.13992	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07967	1.3
66.15060	1.1
70.06574	1.5
70.51593	3.9
105.06444	1.3
199.39336	1.2
221.16737	1.5
253.11703	1.5
304.78848	1.2
337.08911	100.0
338.09247	2.1
350.24310	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04258	0.2
55.05500	0.3
56.04994	0.2
60.04505	0.3
64.00063	0.2
67.05502	0.2
69.03391	0.2
69.68769	0.2
70.03904	1.0
70.06577	3.0
72.08146	2.0
74.06060	0.4
81.01797	0.2
84.04486	1.0
84.08135	1.4
86.09680	1.4
87.05577	4.2
88.03970	0.3
91.05465	0.5
93.07024	0.6
98.20905	0.3
102.05540	0.4
103.05435	1.5
110.07144	0.7
112.08703	0.2
115.05013	1.8
116.07073	0.2
120.08080	100.0
121.08423	2.0
129.10231	0.6
130.04962	0.2
130.06465	0.3
130.08624	0.2
131.04910	0.2
132.08116	0.4
136.07556	0.5
142.67676	0.2
143.11778	0.2
147.11295	0.2
148.50432	0.2
158.06035	0.2
158.11699	0.2
159.11382	0.2
162.14034	0.2
167.54305	0.2
175.08722	0.2
177.10207	2.6
189.10245	0.3
190.10867	0.4
190.18294	0.2
191.11729	0.6
205.09694	0.9
217.09743	1.2
219.11305	0.2
223.10730	12.5
224.11066	0.4
234.12283	0.6
235.10733	0.5
262.11801	2.9
280.13016	0.3
319.13733	0.8
337.14151	0.8
338.08429	0.3
338.18130	0.2
348.16574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	0.5
55.05499	3.5
67.05483	1.1
69.03415	0.7
69.07048	1.3
69.57990	5.5
70.06586	3.9
70.06922	0.9
70.87126	0.6
70.88572	0.6
72.08144	0.8
79.05479	0.8
81.03435	0.5
81.07063	1.2
82.06569	1.8
83.05010	0.6
83.08602	2.2
84.08146	1.4
85.02888	0.9
86.09693	100.0
87.10010	1.8
91.05468	1.5
93.07027	0.9
95.08591	1.0
96.08107	1.0
98.09633	0.5
98.20777	1.1
99.12925	0.7
99.22439	0.5
100.11241	6.5
103.05438	3.0
107.08623	0.7
108.08092	0.9
110.06033	0.9
120.08090	68.5
121.08411	2.6
127.08659	0.7
130.86987	0.7
131.04855	0.7
132.10202	1.2
139.08667	1.4
141.36511	0.5
143.11778	80.9
144.12141	2.3
149.05956	1.2
166.08620	38.6
167.09035	1.4
171.11270	25.4
177.10217	8.0
182.15440	0.9
205.09680	2.0
209.16475	7.6
210.14891	1.4
220.16966	2.3
222.18536	1.8
228.15771	0.8
237.19762	0.6
238.17970	2.2
239.18158	0.8
240.19611	4.8
241.19806	1.5
255.18301	1.4
272.18405	0.8
279.17062	1.3
317.69101	1.3
326.69254	0.8
335.70383	1.1
336.22632	1.9
336.57230	13.3
336.90594	4.9
337.24316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.1
56.05032	1.5
60.66690	1.1
70.06587	14.8
70.12136	6.1
71.74961	1.0
72.08131	5.3
84.04492	2.8
84.08131	12.8
85.02884	3.6
85.08430	1.2
86.09694	3.0
86.14823	1.1
96.92310	1.0
97.02895	1.6
110.07153	2.0
110.30488	1.1
112.08701	1.5
115.08693	1.6
119.01933	1.5
129.10249	6.3
136.07549	1.2
145.03458	1.4
163.03931	2.4
173.02901	2.0
185.03009	2.3
221.03108	1.5
245.05116	1.9
257.05191	2.0
277.07803	2.8
336.69788	1.3
337.08911	100.0
338.09460	2.3
338.18079	1.6
356.42221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02364	0.6
53.03920	2.1
55.01866	0.7
55.05503	14.4
57.03430	17.2
57.07053	1.9
59.41903	0.5
60.11688	0.6
65.03915	1.9
67.05495	60.7
68.05828	0.7
69.07056	15.5
69.60836	4.6
71.04967	1.8
71.08591	0.5
73.29849	0.5
79.05481	33.9
80.05767	0.5
81.03410	0.8
81.07045	61.6
83.04964	1.1
83.08611	7.1
85.06519	1.4
91.05469	16.5
93.07031	36.8
95.04993	3.2
95.08593	44.4
97.06531	2.5
97.10139	2.6
99.08063	1.1
105.04587	0.5
105.07015	10.6
107.08582	19.2
109.06512	1.5
109.10141	20.9
111.08062	1.1
113.16573	0.5
116.03230	0.5
117.07009	3.8
119.08564	9.3
121.10123	15.0
123.08040	0.9
123.11695	6.1
131.08542	6.7
133.10120	7.1
135.11664	9.8
137.09567	0.7
137.13243	2.2
139.11108	0.7
145.10103	3.9
147.11671	4.6
149.09729	0.7
149.13232	4.7
151.14813	0.7
159.11661	4.0
161.13214	3.8
163.11174	0.7
163.14795	2.5
173.13246	3.6
175.14815	1.6
177.16359	0.9
179.14241	0.7
187.14790	2.5
191.14290	0.6
201.16315	0.8
217.19524	0.5
233.22530	0.7
243.21074	3.5
256.98581	0.5
261.22089	5.6
284.87109	0.5
305.24899	0.5
317.24796	3.5
335.25748	100.0
336.25967	2.8
346.55203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05491	1.1
56.04797	0.5
56.05019	4.6
56.96542	1.1
57.03423	0.6
57.46510	0.7
57.98556	0.7
60.04517	4.8
60.05618	0.8
61.01121	1.7
61.02904	0.7
67.05472	1.5
69.03419	1.5
69.07037	1.8
70.02932	1.3
70.06580	42.4
71.06896	1.9
71.63518	0.7
72.08142	8.4
74.06064	6.3
74.84303	0.7
76.02223	0.8
76.03954	0.7
79.05474	0.9
81.03402	1.2
83.06076	1.5
84.04486	8.8
84.08121	13.5
85.02865	2.5
85.08441	1.5
86.06055	0.9
86.09688	15.7
87.05573	1.6
88.03958	2.2
88.07612	1.0
89.03925	0.9
91.05447	2.9
95.04933	0.8
97.02873	0.8
97.06509	1.3
98.06022	1.2
101.07120	1.6
102.05518	2.4
104.05283	1.9
105.06606	0.7
106.04971	1.1
107.04922	1.1
109.02857	0.6
110.07150	8.9
112.08683	2.2
113.07117	1.4
115.08642	1.3
116.07081	7.2
119.04900	1.1
120.06586	1.1
120.08094	3.4
122.02698	0.9
123.04507	0.8
123.05477	1.2
124.03929	0.9
124.05921	0.6
125.07172	0.6
126.05471	1.0
127.05016	2.3
127.08624	1.9
129.06551	0.7
129.10231	7.1
130.04971	2.3
130.08638	1.2
133.06097	0.8
133.07579	1.4
135.04381	1.5
136.07549	8.5
137.05989	1.8
138.03731	1.1
138.05476	0.9
139.07515	1.3
143.08092	0.7
145.02838	1.3
147.04366	1.5
147.07703	0.9
147.11252	1.0
148.04694	0.8
151.07455	0.6
155.06982	2.1
155.08118	0.9
156.04726	1.1
156.07655	1.0
156.10049	1.0
158.09196	0.9
159.07724	0.7
159.09129	0.8
159.11244	0.9
161.05812	1.1
161.07086	11.6
163.03902	6.9
164.07033	2.7
169.13274	0.7
171.07677	1.0
172.07208	1.6
173.09198	2.0
174.05432	2.8
174.11171	1.9
175.08586	1.0
175.11842	1.4
182.08073	2.4
187.14398	1.2
189.05449	0.8
189.10332	0.8
193.09680	1.8
209.82727	0.7
215.13884	1.5
217.09921	0.9
219.97516	0.7
221.02858	0.9
223.07364	0.9
230.08093	2.1
232.09625	3.0
239.03891	0.8
258.07541	1.2
270.16769	1.1
276.08701	0.9
292.54181	0.8
301.11615	0.8
318.11536	1.2
319.12854	1.8
335.70447	1.9
336.10461	100.0
337.10303	8.7
337.14151	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	335.2575
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03928	2.3
53.29421	1.3
53.72015	1.8
55.01855	1.5
55.05502	20.1
57.07056	3.0
65.03924	1.7
67.05493	20.3
69.03410	2.4
69.07059	18.3
69.47914	6.9
69.48339	8.3
70.06573	9.4
71.04979	4.0
79.05482	14.3
81.07043	60.4
83.04968	3.9
83.08612	10.6
84.08130	3.8
85.06542	8.7
86.09677	2.5
91.05450	8.9
93.07029	39.9
94.06530	1.6
94.07375	1.7
95.04961	3.2
95.08593	50.1
96.08122	2.4
97.06518	12.1
97.10168	13.6
99.08041	1.7
105.07008	22.7
107.08574	41.7
108.08107	3.0
109.06509	15.2
109.10141	31.8
110.07167	1.5
111.08074	11.8
111.11714	3.5
117.06965	3.4
119.08549	17.6
120.08112	4.4
121.06545	2.6
121.10117	25.0
122.09635	3.5
123.05517	2.8
123.08045	12.7
123.11686	16.3
125.09604	14.2
127.07562	6.0
129.10168	1.4
130.07849	1.6
131.08539	6.2
133.10109	17.4
135.08064	5.9
135.11667	24.5
137.09605	8.0
137.13234	3.0
139.11142	3.6
143.08548	3.0
145.10078	11.6
147.11665	15.9
149.09589	7.5
149.13232	18.5
151.11142	19.4
153.09158	1.6
153.12718	3.6
157.10065	3.4
159.11684	21.2
161.13206	13.8
163.11218	4.3
163.14801	4.8
165.12762	4.9
167.10614	3.7
171.11696	3.1
173.13191	7.4
175.14758	7.2
177.12753	7.5
177.16376	2.7
179.14413	3.0
185.13234	5.1
187.14775	3.4
189.12717	3.2
189.16483	3.6
191.14351	7.2
191.17990	4.3
193.15919	4.3
195.13718	1.7
199.14804	4.0
201.16362	10.2
203.17908	8.7
207.13831	3.1
207.17413	3.6
209.15381	1.8
217.16028	2.2
219.17458	5.0
220.16937	7.8
221.19005	5.4
221.52678	1.5
222.18578	3.0
237.18651	1.6
238.18069	6.6
240.19382	6.8
243.17424	1.7
266.17654	2.8
271.24240	3.7
281.22464	10.4
289.25208	16.9
290.25275	1.8
299.23596	18.9
316.68423	5.4
317.18817	3.7
317.24695	100.0
318.25186	4.5
325.69043	2.5
326.19601	3.4
329.89844	2.3
335.22644	3.5
335.25836	72.3
335.56393	1.8
335.90045	15.2
336.23206	3.0
336.26627	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	335.2575
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
53.03930	1.3
55.01857	1.1
55.05259	1.0
55.05502	11.8
55.98397	0.6
57.03428	14.1
57.07067	1.5
65.03916	1.6
67.05493	47.9
68.05824	0.6
69.07059	10.9
69.65085	6.0
71.31384	0.6
76.53593	0.6
79.05478	23.4
81.03385	0.6
81.07044	50.3
83.04977	1.0
83.08603	6.3
85.06519	1.1
91.05460	11.3
93.07027	27.2
95.04945	2.2
95.08592	40.6
97.06507	2.1
97.10152	2.8
99.08085	0.7
105.04520	0.6
105.07015	9.6
107.08574	17.8
109.06469	1.1
109.10136	17.7
110.10478	1.0
111.08040	1.3
117.06991	3.3
119.08563	7.2
121.10123	14.5
123.11707	6.6
129.05426	0.7
131.08563	5.0
133.10117	6.0
135.11679	12.0
137.13220	1.8
145.10081	4.4
147.11653	5.0
149.13242	8.8
150.84210	0.6
159.11687	3.5
161.13237	4.9
163.14793	4.1
173.13240	3.3
175.14790	2.1
177.16335	2.1
180.99101	0.6
187.14818	2.3
191.14165	0.9
201.16394	1.2
243.21043	7.9
261.13776	0.8
261.22086	8.9
315.64444	0.6
317.24667	3.2
334.77393	0.9
335.25735	100.0
336.26175	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	335.196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.4
59.84702	0.3
69.07034	0.4
70.06582	1.3
70.91485	1.2
72.44116	0.4
76.40473	0.4
79.71046	0.3
86.09693	38.4
88.07611	0.4
93.07037	1.0
102.09181	0.5
103.05437	3.0
105.23533	0.4
120.08089	100.0
121.06490	4.5
121.08425	2.7
128.10701	15.1
129.11075	0.7
131.04872	1.7
140.14589	0.3
156.10193	5.4
163.07571	2.8
180.10173	63.4
181.10555	2.2
194.26065	0.3
220.16893	0.4
228.23259	0.7
229.23613	1.9
240.19624	0.5
273.26041	0.8
316.68503	0.7
335.29749	5.8
335.57007	0.4
335.90005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03925	2.7
55.01839	0.8
55.05251	1.2
55.05502	14.2
57.03180	1.3
57.03431	18.3
57.07054	1.7
65.03927	2.3
67.05495	73.5
69.06706	1.3
69.07057	16.2
71.04964	2.0
71.75169	2.0
79.05485	31.2
79.09457	0.9
81.07046	62.8
83.04960	3.0
83.08606	7.1
85.06546	1.6
87.91730	0.9
91.05475	16.9
93.06458	1.9
93.07034	37.0
95.04955	3.5
95.08595	53.2
96.08948	0.8
97.06506	3.4
97.10161	2.3
99.08056	1.2
105.06393	0.9
105.07023	11.6
107.08585	21.0
108.68826	0.9
109.06510	1.5
109.10143	20.8
111.08070	1.0
117.06982	3.9
119.08562	7.8
121.10121	14.6
122.93575	0.9
123.08041	1.4
123.11673	6.6
131.08545	6.1
133.10130	6.9
135.11678	10.3
137.13228	2.0
145.10115	4.3
147.11658	4.8
149.13251	5.8
159.11678	3.8
161.13223	3.3
163.11189	0.8
163.14783	2.9
173.13248	3.2
175.14886	1.5
179.50926	0.9
187.14767	1.9
191.14204	1.0
243.20988	3.7
261.22119	7.2
317.24771	0.9
321.63168	0.8
335.25751	100.0
336.26041	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
53.73425	0.3
53.99612	0.3
55.01855	1.0
55.05503	2.4
56.05027	2.7
57.03419	0.5
58.06586	0.7
58.99582	0.5
62.27339	0.3
67.05492	3.0
68.05015	0.5
69.03422	0.4
69.07053	2.1
69.59781	1.5
69.60207	1.6
70.06581	6.9
72.08132	0.5
73.01160	0.4
73.72394	0.3
74.06073	1.2
79.05483	2.1
81.03391	0.4
81.07041	2.6
82.06561	0.8
83.08612	0.4
83.86853	0.3
84.04498	1.4
84.08128	100.0
85.01113	0.8
85.02907	0.3
85.06518	0.5
85.08459	1.5
86.09691	2.7
87.02681	0.7
91.05470	6.5
93.07030	5.4
94.06552	1.0
95.04961	1.0
95.08601	3.7
96.08120	1.1
97.10142	0.7
101.04225	33.7
102.04552	0.7
102.05551	0.6
104.98308	4.5
105.07014	3.2
106.07766	1.0
107.07363	0.7
107.08578	1.7
108.08105	2.0
109.10107	0.6
110.07120	0.3
110.09681	0.7
111.08130	0.4
112.07635	0.5
112.08743	0.4
119.08570	0.7
120.08096	1.1
121.06494	0.5
121.10140	0.5
122.06003	0.5
122.09643	1.2
123.08035	1.5
124.11219	0.6
127.05754	13.4
127.06686	0.7
129.10240	1.8
130.08615	11.8
134.09669	0.5
135.02620	0.6
136.07573	0.5
137.04153	2.9
138.04933	1.8
144.08121	0.4
145.10117	0.4
147.08064	0.4
147.11270	3.2
158.09334	0.4
159.07973	0.4
160.07541	0.5
161.04515	29.4
161.09653	0.4
162.04887	0.6
171.02951	7.6
175.11908	0.5
179.05672	0.4
184.02657	0.4
189.03995	57.8
190.04338	1.8
204.13811	0.5
219.91234	0.4
220.16948	4.9
221.17261	1.3
222.18491	2.6
223.18700	0.4
237.19521	0.6
238.17967	5.4
239.18175	1.9
240.19545	9.0
241.19966	1.1
254.17442	1.0
254.67596	0.5
256.19116	0.6
266.17511	0.8
272.11328	22.9
273.11703	2.0
280.55777	0.4
289.13953	2.5
294.17267	0.5
298.17648	0.4
303.69452	0.4
307.67932	0.5
308.17352	0.7
316.68408	11.0
317.18808	6.5
317.68921	1.7
320.56436	0.4
325.68951	5.4
326.19449	6.2
326.69711	2.2
329.89755	0.6
334.69351	2.4
335.14520	75.3
335.70593	0.6
335.90091	11.3
336.14828	5.1
336.23523	1.0
338.23047	0.4
339.23495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57407	0.8
55.01867	1.2
55.05496	2.2
56.05027	10.5
56.96552	2.3
57.03431	1.0
57.05366	0.9
58.06598	1.2
60.04520	8.3
60.05640	1.8
61.01133	1.8
67.05486	2.7
68.05009	1.2
69.03420	4.3
69.04539	4.8
69.07047	3.7
69.84424	3.5
70.02942	2.5
70.06585	69.9
71.04987	1.1
71.06907	3.4
71.93062	0.7
72.08145	11.5
72.93779	1.4
74.00645	0.9
74.06075	12.5
75.06413	2.5
76.02220	1.1
76.04005	1.3
79.05492	1.8
81.03403	2.9
81.07072	1.4
82.02960	0.9
82.06561	0.9
83.04967	0.8
83.06098	2.3
83.24191	0.8
84.04501	21.6
84.07628	1.7
84.08134	32.0
85.02913	4.8
85.04065	1.4
85.04810	0.8
85.06561	1.1
85.08448	1.8
86.06066	1.2
86.09697	27.8
87.05576	2.9
87.10023	7.5
88.03985	3.3
88.07642	0.9
89.03924	0.8
90.03770	1.8
90.05544	3.2
90.94807	1.4
91.05463	5.4
92.05798	0.8
93.04540	1.0
93.07037	1.9
94.06552	1.3
95.04958	1.3
95.06094	1.8
95.08575	1.4
96.04465	1.3
97.02886	6.8
97.07690	1.0
98.06020	1.8
99.04468	1.4
101.07124	7.4
101.10798	0.9
102.03781	1.0
102.05502	4.7
102.07487	1.8
104.05308	2.5
106.04979	1.0
107.04913	1.0
107.08575	1.2
108.08083	1.0
110.06030	1.4
110.07159	15.2
111.04433	1.5
112.03958	2.2
112.07602	0.9
112.08702	4.7
113.07154	1.7
115.05042	0.8
115.08688	3.9
116.07097	5.8
118.39807	0.7
119.04912	4.3
120.06574	2.3
120.08113	4.3
123.04619	1.2
123.05543	21.2
124.07549	1.2
124.11247	1.3
126.05506	1.1
126.09132	1.1
127.03904	2.9
127.04873	0.9
127.08669	2.4
129.06616	2.1
129.10226	16.6
130.05116	5.7
130.06509	100.0
130.08607	3.4
131.06891	3.7
132.04434	21.7
132.08080	1.2
134.06000	0.9
135.04414	2.4
135.08018	1.2
136.07555	5.8
137.05956	1.9
138.05505	1.8
138.06444	1.3
139.03812	0.9
139.07590	1.1
139.08633	0.9
140.06975	0.9
140.08199	1.1
140.10739	1.1
141.05672	1.1
141.10193	1.2
143.04546	1.2
143.11755	1.9
144.06528	1.4
144.12134	1.0
145.02867	0.8
145.07626	2.3
146.05978	4.3
147.04372	7.6
147.11314	2.9
148.04782	1.2
148.06065	2.0
150.05646	0.9
155.06035	2.4
155.08142	1.7
156.04507	1.0
156.06583	2.2
156.07692	2.3
157.07582	31.8
158.05978	13.4
158.07979	1.5
158.09222	1.0
159.06351	0.9
159.07941	0.9
159.09166	3.5
159.11292	1.1
163.03888	7.8
166.08630	0.9
169.06093	1.9
169.07613	5.9
170.11800	1.1
171.07661	1.0
172.07242	1.3
173.07024	6.2
173.09157	3.8
174.05530	3.0
175.08630	8.4
175.11870	1.8
180.06541	1.9
181.07634	3.5
181.09557	0.9
182.08018	0.9
185.07080	15.0
185.09225	1.2
186.05498	1.0
186.12386	1.7
187.08662	1.6
187.10799	1.7
187.14383	11.9
188.12851	3.2
188.14754	18.2
190.05157	1.7
192.99498	1.8
197.07079	7.1
199.08691	3.0
202.05040	1.3
202.97952	1.1
203.08160	4.4
204.10463	0.8
206.13876	2.4
206.97453	0.9
213.06554	1.4
214.09741	2.9
215.08168	3.6
215.13817	4.2
216.14227	9.0
218.97379	3.4
220.99051	1.0
221.09256	1.1
224.98346	1.3
225.06552	11.4
226.15527	1.2
232.10793	11.3
234.15544	0.9
234.96858	1.2
234.98944	5.3
236.98497	2.5
237.00728	5.2
242.09221	5.8
243.07628	32.7
244.07925	1.2
252.97894	1.3
255.01741	2.9
260.10275	43.2
261.10703	1.9
272.09952	1.1
272.98486	3.5
278.11282	1.3
282.08609	1.4
289.03616	2.4
289.08694	0.8
289.11926	1.0
293.11108	1.0
299.11295	1.7
300.09729	8.4
308.18286	0.9
317.12344	22.9
317.17035	4.2
334.67862	0.9
335.03992	1.0
335.13077	5.7
335.17975	3.5
335.70648	0.8
336.15497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01861	2.1
55.05494	4.7
56.05022	7.3
57.03418	2.4
58.43470	0.8
60.04218	1.1
60.04519	22.2
60.08150	0.9
61.01131	1.9
65.40495	0.8
67.05487	1.5
68.04986	1.5
68.99763	0.9
69.03416	23.7
69.07056	41.0
70.02934	2.8
70.06582	100.0
71.04991	4.5
71.06257	0.9
71.06919	5.4
71.75144	1.4
72.08147	25.8
72.93767	1.4
73.02905	0.9
74.06075	4.5
74.84660	0.8
76.03970	1.1
79.05472	1.6
81.03407	15.8
81.07024	2.3
82.06566	1.3
83.04954	2.6
83.06104	4.8
84.04490	17.1
84.08131	41.2
85.02418	1.3
85.02895	18.5
85.04810	1.2
85.06528	1.1
85.08469	1.9
86.09692	37.2
87.00820	5.4
87.05575	3.0
87.08093	9.0
87.10027	4.9
88.03967	3.2
91.05469	9.6
93.04440	1.0
93.06983	1.6
95.04977	1.5
95.06083	1.4
97.02879	14.9
98.02359	0.9
98.06044	2.4
99.04439	7.9
99.09205	1.0
101.07097	1.8
102.03730	0.8
102.05523	3.4
103.03946	1.6
103.05450	2.5
104.05311	2.2
104.07065	1.0
105.01856	2.1
105.07051	1.4
106.05003	1.3
107.04945	1.1
107.08594	1.0
109.02869	12.4
109.10170	0.9
110.06024	1.5
110.07153	21.8
111.04413	2.0
111.07431	1.4
111.09176	1.2
112.08714	4.0
113.07108	1.5
114.09139	0.9
115.05054	2.0
115.07550	11.4
115.08661	3.4
116.07089	5.2
118.06573	4.2
119.04937	8.3
120.08092	28.6
121.06537	1.0
121.08430	4.2
121.10123	1.1
122.02679	1.0
123.04437	1.9
123.05514	2.7
126.02174	4.2
126.05479	1.6
127.02956	1.4
127.03896	29.2
127.08680	1.5
129.01799	1.0
129.10217	26.5
130.04962	2.3
130.06485	1.5
130.08653	2.0
130.10593	1.1
132.08090	1.6
132.10173	2.1
136.07542	13.0
138.06610	0.9
138.09068	1.0
139.08636	1.2
141.10156	1.8
142.08612	2.1
143.08148	2.7
143.11800	2.4
144.08035	1.2
145.04970	2.7
146.05991	6.0
147.04379	13.7
147.06300	0.9
147.11230	1.4
148.04733	1.8
148.05925	1.0
150.05759	1.8
152.07085	1.1
155.08124	2.9
156.07686	4.1
157.13367	1.4
160.07581	1.3
162.09056	1.2
163.03882	2.0
163.08656	1.5
164.03685	1.5
164.07201	0.8
165.05399	1.3
166.08705	1.0
169.09789	2.0
169.13374	1.0
171.09938	0.9
171.11299	1.1
173.09370	1.2
175.08752	1.2
175.11949	2.0
178.97937	1.0
182.08075	1.9
183.14944	1.7
184.07489	1.1
185.09126	0.9
187.10774	5.1
188.07045	1.8
188.11076	3.7
189.03961	1.4
191.08421	1.2
192.03139	1.9
195.10027	1.0
196.99043	1.7
197.12848	1.8
197.61320	1.3
201.10210	1.0
201.12280	1.3
202.97920	2.1
205.09654	1.3
206.62088	0.8
206.97333	1.3
207.11282	1.8
213.03839	1.6
213.11018	2.0
218.97340	5.0
219.14914	2.6
220.98830	1.4
224.98483	2.0
226.13618	1.1
229.09772	1.5
229.15514	0.9
231.04970	9.0
233.09251	5.4
236.98479	4.6
237.00595	1.3
239.15001	1.9
240.13425	3.2
241.12752	1.3
243.62247	1.2
246.12900	1.1
247.14351	1.5
257.09225	1.3
271.10797	1.7
272.98441	4.3
276.66068	1.1
283.14001	1.2
284.64728	1.0
289.11804	1.4
290.99652	1.4
299.10550	3.6
310.17340	1.1
312.01001	1.1
313.00082	1.6
317.11331	10.1
326.16211	2.0
326.65735	0.9
335.12552	5.6
335.15967	1.7
335.21085	1.1
344.65649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46500	42.6
53.64862	34.7
53.99932	32.8
58.47925	36.7
60.23575	34.0
60.82663	35.6
66.54286	42.3
71.40954	59.6
96.91213	33.6
109.83943	34.6
117.16175	34.6
123.05521	67.3
234.74805	44.7
335.07315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
54.03431	1.1
55.01860	4.2
55.05503	13.6
55.93523	2.2
56.05024	13.5
56.96539	1.9
57.03434	7.8
59.05000	1.3
60.04516	15.9
61.01134	4.1
61.02914	4.4
67.05484	6.8
68.99776	2.1
69.03418	70.9
69.07057	45.8
69.28094	1.7
69.28501	13.4
70.02947	2.4
70.06579	100.0
71.04983	7.6
71.06925	4.1
72.08141	51.3
72.93770	4.0
73.02910	3.0
73.08470	4.5
74.06062	13.8
76.03954	1.6
79.05500	1.9
81.03402	38.2
81.03870	2.8
81.07030	4.5
82.06572	1.8
83.04967	18.9
83.06080	2.9
84.04491	28.8
84.05316	1.4
84.08130	63.1
85.02374	2.0
85.02884	31.7
85.04840	2.2
85.06532	10.9
85.08459	1.9
86.09685	47.0
87.00816	13.5
87.04446	4.5
87.05588	1.8
87.08074	3.4
87.10038	8.1
88.03983	3.8
88.07620	1.6
90.05527	1.7
90.35251	1.3
90.94810	2.0
91.03908	1.3
91.05475	11.5
93.07047	1.4
95.04960	7.4
95.06078	2.1
97.02869	23.0
97.03954	1.4
97.06528	2.4
98.06037	4.9
98.21468	2.8
99.04427	17.6
101.07129	5.2
102.05523	9.2
104.05309	7.8
105.01846	6.3
105.06618	1.5
107.04911	1.5
109.02860	21.3
109.06470	2.4
109.10137	1.9
110.07146	23.9
111.04426	25.4
111.09195	1.7
112.08721	6.2
113.07099	2.7
115.03909	1.3
115.05009	1.8
115.07554	7.3
115.08682	5.2
116.07079	4.5
117.05495	4.4
119.04921	21.2
120.06570	5.2
120.08081	12.0
121.08384	2.0
122.05956	1.4
123.04667	1.5
123.05531	10.7
125.06017	2.1
126.05470	2.0
127.03890	52.4
129.05466	14.3
129.10219	23.1
130.04979	8.5
130.08632	3.2
131.08369	1.4
132.10237	1.4
133.06044	1.4
136.07524	11.6
138.06476	1.7
143.08093	1.6
143.11790	1.8
144.08192	1.6
144.67924	1.4
145.04977	3.2
145.06184	1.3
146.06000	2.5
147.04384	38.9
147.06432	8.8
147.07558	2.8
147.11255	3.9
148.04701	1.5
152.96371	1.7
153.05414	1.5
155.07050	3.4
155.10632	1.7
156.07649	3.9
159.02876	2.3
159.07607	2.1
162.96822	1.6
163.03874	4.1
166.06096	1.8
167.03491	2.0
169.13361	3.5
171.06483	1.7
173.08015	1.6
175.11917	3.2
181.07526	2.1
185.16484	2.9
186.16795	4.6
187.05972	1.6
187.14415	2.6
192.99489	3.1
195.10152	2.8
196.99016	3.9
197.10500	1.9
197.12877	2.7
199.08632	1.5
201.12289	2.0
202.97903	5.1
204.44743	1.7
206.97366	3.9
211.00571	1.6
213.03976	3.3
214.13109	1.8
214.16339	3.0
215.05472	3.7
216.09839	1.6
218.14050	2.9
218.97345	16.7
220.98938	9.5
222.96799	2.5
224.24374	1.3
224.98418	5.1
226.15460	2.3
231.04930	23.8
233.06573	11.5
236.98460	11.6
237.00626	3.6
241.07146	2.0
245.09261	3.7
252.97908	3.1
255.01761	1.6
259.08099	9.8
271.10641	2.5
272.98428	16.4
277.09116	2.1
285.16663	2.0
289.11804	3.0
290.99594	5.2
299.11066	8.3
312.00931	2.2
317.11584	11.8
334.70538	1.9
335.08432	2.6
335.12216	11.7
344.18076	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	334.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
56.05023	6.8
60.04518	1.5
60.05652	0.4
61.01133	2.8
67.05493	0.5
68.05013	0.5
69.03388	0.4
69.07037	1.4
69.73901	1.2
69.74317	0.9
70.06577	42.8
70.79699	0.3
71.04984	0.6
71.06911	1.1
72.08141	9.9
73.08457	0.5
74.06052	1.6
76.02211	1.1
76.03987	0.6
83.06086	0.7
84.04485	8.9
84.08126	8.1
85.02882	0.8
85.08466	0.5
86.06046	0.8
86.09688	100.0
87.10033	2.0
88.03963	1.3
88.81775	0.4
91.05461	1.7
93.04532	0.7
93.07012	1.2
95.04950	7.7
98.06023	1.1
99.04419	1.1
101.07093	0.9
102.05525	1.6
103.05444	1.1
104.05309	10.1
105.00044	0.4
107.08578	0.9
109.06458	0.5
110.07145	7.2
111.02666	0.4
112.08686	0.7
116.07064	6.1
117.07065	0.4
119.04920	1.5
120.08078	17.9
121.08422	1.0
122.02699	4.2
123.05524	0.5
127.08665	0.6
129.10199	4.5
130.05019	0.4
130.06485	0.7
132.08080	0.5
133.03177	4.8
134.06021	0.4
135.06880	0.4
135.08029	1.9
136.07535	3.0
141.10207	2.1
144.06525	5.5
144.07693	0.4
144.08105	0.4
146.06073	1.5
147.04393	2.7
147.11240	0.5
149.09550	0.9
150.05803	20.3
151.06123	0.6
155.11806	0.5
156.07686	0.9
157.13330	52.7
158.13670	1.3
161.09167	4.3
166.08597	0.4
169.09723	1.2
173.12914	0.6
174.05798	0.7
177.08995	1.7
185.12822	30.3
186.13104	1.2
187.10751	8.9
188.07056	2.5
191.11795	1.6
192.99510	0.4
195.10109	2.9
199.10768	0.4
201.12268	0.7
205.09668	0.5
207.11224	1.0
213.05186	0.4
213.11215	1.7
217.13419	1.9
219.11220	0.4
219.19829	0.4
220.98857	0.7
221.09578	0.8
225.09969	0.4
235.10890	0.4
236.98419	0.7
245.07935	0.4
245.12929	2.3
257.09201	0.5
263.14096	5.5
271.10556	0.6
272.98355	0.8
276.14459	0.4
289.11951	0.5
294.15622	0.6
299.10141	0.8
300.05286	0.5
311.00446	0.7
317.11212	3.1
334.13162	2.0
334.17542	4.2
335.03720	0.9
335.12225	2.1
356.02740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.9
55.05490	2.2
56.04759	0.8
56.05025	15.6
56.10235	0.8
56.96524	0.7
57.03410	1.7
57.04546	0.8
58.06594	5.9
60.04519	14.0
60.05613	1.2
61.01156	0.8
61.02898	1.0
67.05503	1.6
68.05013	1.2
69.03411	2.6
69.07053	2.4
70.01428	4.3
70.02934	2.0
70.06581	60.8
71.01338	1.0
71.04977	1.7
71.06905	3.1
72.08145	21.1
72.93774	0.9
74.06068	37.8
76.04033	0.8
78.43985	0.7
79.05482	1.2
80.05013	0.9
81.03411	1.3
81.07029	1.1
82.06566	1.5
83.06092	1.0
84.04490	19.7
84.07635	1.0
84.08134	19.5
85.02900	7.4
85.06520	2.5
85.08437	2.4
86.06064	3.8
86.09694	83.8
87.04458	0.9
87.05577	6.5
87.09528	1.2
87.10017	7.7
88.03976	5.2
90.05538	1.0
91.02777	0.8
91.05471	5.3
95.04964	1.1
96.04480	0.9
96.08162	0.7
97.02877	4.5
98.06036	1.1
98.09674	2.4
98.98447	1.6
99.04414	1.6
100.07601	1.3
101.07127	22.7
102.05524	7.5
103.09357	0.7
104.05321	2.6
104.07081	1.0
105.07046	1.1
107.04893	1.2
108.08095	1.3
109.02897	1.2
109.06489	1.8
110.06032	4.3
110.07146	10.9
112.07587	1.3
112.08711	2.4
113.07089	1.4
114.09145	3.0
115.05027	1.4
115.08672	1.3
116.07056	5.7
117.06559	0.8
119.04925	4.0
119.82917	0.8
120.06560	7.0
120.08053	6.3
122.02717	0.8
122.03638	0.9
123.05530	11.5
124.05852	0.9
124.07597	2.3
124.11233	2.0
126.05466	1.1
126.09165	2.3
126.12742	2.2
127.03907	2.9
127.08681	1.4
128.25174	0.7
129.10216	8.8
130.04991	7.8
130.06509	14.2
130.08604	2.8
130.10565	1.4
132.04430	3.3
132.10176	3.0
135.04387	1.8
136.06151	2.7
136.07559	4.3
137.05948	30.9
138.06381	1.1
139.08638	0.9
141.06586	0.8
142.08626	1.7
142.12263	10.1
143.11771	6.9
144.04352	0.7
146.06116	0.9
147.04413	4.9
147.11269	1.6
148.06027	4.7
150.05745	1.3
152.07053	1.0
154.08588	2.4
155.07025	1.5
155.08124	1.0
155.10593	1.1
156.06497	1.0
156.07677	1.4
157.06279	1.6
157.07623	5.7
157.09692	6.0
157.13440	0.8
158.06030	2.9
158.97498	0.9
159.07631	1.0
159.09151	2.4
159.11275	13.9
160.09459	1.5
163.03859	3.6
169.13358	1.1
170.97391	0.9
172.09668	5.5
173.12834	2.3
175.07092	2.9
175.08612	1.8
185.07118	2.3
185.09210	6.8
187.07108	1.3
187.10849	10.4
187.14394	100.0
188.14742	1.9
190.12695	1.4
197.12753	0.8
201.12262	1.9
203.06689	3.6
203.08403	1.2
203.10226	2.0
213.06593	0.9
215.13879	49.7
216.14235	1.1
218.97375	1.7
221.11365	0.9
225.06706	1.7
226.15428	0.9
229.09727	1.1
231.09756	2.5
232.10820	1.5
233.14951	3.0
234.98975	2.8
236.98471	1.1
237.00734	2.4
237.09058	0.9
242.09201	1.1
243.07675	5.9
247.11040	5.9
255.01740	1.5
255.13481	1.1
257.05017	1.2
259.14719	1.1
260.10269	7.4
272.15952	1.0
272.98383	1.7
273.13937	0.8
289.03574	1.7
298.17529	1.2
300.09811	1.7
311.06244	1.0
316.15259	1.2
316.18683	10.7
316.22144	1.4
317.12244	3.9
334.14026	5.3
334.19360	3.1
335.12631	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05496	1.8
56.02428	0.4
56.05032	8.2
60.04512	1.9
60.05627	0.6
61.01147	3.6
67.05497	0.8
67.13141	0.5
68.05008	0.6
69.07050	2.3
69.75135	3.8
70.02970	0.6
70.06583	59.5
71.05001	0.7
71.06918	0.8
71.84810	0.5
72.08146	11.9
72.93784	0.5
74.06075	2.3
76.02214	1.2
81.03407	0.6
83.06105	0.8
84.04491	16.8
84.08136	11.7
85.02891	0.9
85.04816	0.7
85.08469	0.6
86.06081	0.6
86.09695	100.0
87.05557	0.9
87.10010	2.6
88.03980	1.0
90.05566	0.6
91.05454	2.4
91.25333	0.5
93.07018	1.2
95.04963	11.3
97.06584	0.5
98.06046	2.1
98.98447	1.0
99.04449	1.3
101.07115	1.3
102.05538	2.0
103.05459	1.4
104.05314	12.2
104.05968	0.9
105.00048	0.8
105.07056	1.2
107.04927	0.8
107.08580	1.2
110.07145	6.4
112.08704	0.7
115.08601	0.6
116.07087	8.5
118.06518	0.9
119.04937	1.8
119.08561	0.9
120.08096	24.7
121.08457	1.4
122.02702	5.4
123.05613	0.5
126.05521	0.7
127.08727	0.8
129.10231	7.3
130.04987	1.0
130.06508	1.3
130.08620	0.7
131.04915	0.7
132.08099	0.7
133.03189	4.9
135.06989	0.9
135.08035	3.4
136.07587	4.5
137.05984	0.6
141.06581	0.6
141.10184	2.5
144.06543	12.1
144.07800	0.6
144.08160	0.5
146.06052	3.2
147.04401	4.3
147.11281	0.6
149.09521	0.9
150.05817	18.2
154.45569	0.6
156.07675	0.9
157.13348	50.0
158.13722	1.2
159.09213	0.9
161.09201	12.4
162.09413	0.6
169.09784	1.6
169.13335	1.1
170.05963	1.4
173.12955	0.8
174.05722	0.6
177.09158	1.9
181.06047	0.5
185.12836	23.8
186.13295	0.8
187.10754	14.1
188.07060	3.5
191.11714	2.6
194.99489	1.1
195.10135	3.4
201.10396	0.5
203.12260	0.6
205.09705	0.9
207.11253	1.0
207.45743	0.5
213.11221	1.8
214.08662	0.5
217.09808	0.5
217.13376	3.2
218.97444	1.0
221.09467	1.0
227.07513	0.6
235.10896	0.7
236.98434	1.0
245.08372	0.6
245.12801	2.9
261.03925	0.8
263.14105	5.9
272.98438	1.1
299.10391	1.0
311.00528	1.0
317.11166	4.1
334.13757	0.8
334.17450	5.1
335.04028	2.2
335.12357	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	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
57.03419	1.5
57.75877	0.5
59.00362	0.6
60.04509	1.2
61.02908	2.8
65.12114	0.6
69.03426	6.2
70.06579	5.8
70.18783	1.6
72.08131	1.9
73.02893	1.1
74.06049	1.2
76.63454	0.6
81.03407	3.7
84.04482	2.2
84.08139	1.8
85.02897	27.9
86.09702	3.1
87.04459	0.6
91.03962	1.4
91.05476	9.8
92.31493	0.6
97.02882	9.2
99.04428	1.4
102.05483	0.9
102.13539	0.6
104.05319	0.6
104.07015	0.6
109.02866	2.6
110.07172	1.0
115.03936	0.9
116.07085	1.8
119.04932	7.6
120.08093	1.3
123.05454	0.9
127.03883	4.3
129.07022	0.7
129.10204	1.0
130.06500	1.4
132.08055	1.2
137.05962	100.0
138.06313	2.8
143.08147	0.8
145.04947	8.7
147.04366	1.3
149.05894	0.8
151.07481	0.7
154.08551	0.6
155.07028	11.0
159.09178	1.5
163.06017	1.6
170.06003	1.0
172.09639	1.4
173.12849	0.7
179.07025	2.4
180.08670	4.7
185.06030	0.6
203.07057	1.3
218.97385	0.7
221.07848	1.1
231.05086	0.8
245.08035	1.7
251.09131	0.8
263.09146	2.5
281.10101	1.0
289.11618	0.7
299.10593	0.6
317.11475	1.9
334.14136	0.8
335.12488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95752	1.3
53.03926	2.1
55.01864	6.4
55.05501	8.2
56.05037	11.5
57.03431	14.7
57.07071	13.6
60.04506	5.1
61.01125	2.2
61.02901	5.8
67.05502	10.4
68.05008	1.6
69.03420	11.6
69.07066	12.6
69.84920	7.9
70.02940	1.8
70.06584	100.0
71.04990	11.7
71.06895	2.6
72.08144	35.4
73.02883	2.2
73.08466	3.7
74.06079	11.3
75.06389	2.7
76.02188	1.7
79.05473	3.8
81.03413	7.2
81.07047	17.4
82.06538	1.4
82.70448	1.6
83.04945	4.7
83.06081	3.8
83.08595	5.5
84.04028	2.2
84.04493	27.8
84.08132	34.6
85.02897	40.7
85.06519	7.5
85.08486	2.3
86.09698	64.3
86.10229	3.4
87.04459	2.6
87.05614	1.8
87.10012	2.2
88.03971	3.6
91.03921	2.4
91.05466	7.7
93.03457	1.3
93.07035	6.2
95.04958	9.8
95.08588	8.5
96.08103	2.1
97.02898	10.2
97.06490	4.0
98.06075	2.1
98.98453	16.9
99.04436	3.7
99.08090	11.1
101.07109	2.6
102.05528	8.6
103.05450	3.5
104.05315	5.9
105.07001	4.1
106.05032	1.8
107.04958	2.3
107.08569	9.1
108.04475	1.7
109.02858	10.0
109.06507	4.1
109.10142	30.5
110.07159	16.9
110.09664	3.6
111.05550	2.7
111.08083	7.2
112.07551	1.5
112.08708	2.8
115.08677	3.2
116.07072	12.0
119.04934	2.6
120.08093	44.0
121.08392	3.2
122.02699	3.2
122.09573	1.6
123.05484	1.7
123.08046	2.0
123.11659	5.3
124.07587	1.8
127.03896	8.6
127.08605	3.5
127.11180	25.2
128.10687	1.9
129.10234	17.5
129.11104	2.3
130.04967	10.1
130.06483	2.1
130.08623	3.1
130.10512	1.8
132.08066	1.7
132.10214	1.8
133.10114	5.7
135.08028	5.1
135.11667	4.8
136.06131	1.3
136.07562	9.7
137.05984	2.2
137.09628	2.7
137.13202	3.5
138.05522	1.8
138.09149	3.4
140.07016	1.4
141.10159	2.8
145.02832	1.4
145.04947	11.3
145.09940	1.5
147.04376	4.8
147.11275	3.8
148.04872	2.0
148.05966	3.4
148.07632	1.5
149.09552	1.5
150.05768	4.3
150.09100	5.2
151.08638	2.2
151.11130	5.7
152.07025	2.5
153.12717	13.9
155.05638	1.4
155.14284	22.5
156.07681	2.7
156.10199	1.5
157.09770	1.4
157.13348	10.0
159.07962	1.5
159.09174	3.2
161.09477	1.5
165.10222	3.3
166.04947	3.3
166.08572	2.1
167.07039	1.5
168.06485	2.8
168.13828	5.8
169.09795	2.8
171.13765	24.4
173.12840	3.9
174.11221	3.1
174.13118	1.5
174.48537	1.3
175.08896	1.4
176.98918	2.6
177.08994	2.1
177.12752	1.5
182.08127	2.0
185.12817	4.2
186.14822	8.2
187.10786	9.1
191.11749	3.5
195.13708	3.2
201.12329	4.5
202.12587	7.0
204.15944	7.9
207.11362	1.9
211.10756	4.1
217.13358	2.1
220.16940	1.2
222.25639	1.3
231.06598	1.7
234.15189	3.2
238.18044	1.8
263.13898	5.5
269.12704	1.4
287.13403	1.5
296.66727	1.4
311.00269	2.7
315.09698	2.8
315.13376	1.5
315.19116	12.7
319.96899	1.4
333.05954	2.8
333.10837	2.5
333.14615	4.0
333.19962	15.0
334.17624	3.8
349.63699	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	333.2421
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
53.03941	4.9
55.01870	5.0
55.05506	20.3
56.60212	1.0
57.03431	24.1
57.03697	1.1
57.07055	3.5
58.20510	1.1
65.03916	4.7
67.05497	100.0
69.06718	1.4
69.07062	16.3
70.06589	1.8
70.24909	5.5
71.04971	1.9
71.08586	1.2
73.02912	2.1
79.05485	58.6
81.03402	1.2
81.07047	69.1
82.07364	1.2
83.04978	2.0
83.08602	5.8
91.05473	38.1
93.07033	57.7
94.07362	1.3
95.04964	5.7
95.08596	55.0
97.10181	1.1
98.11479	1.0
98.98457	20.4
100.98889	2.1
103.03933	1.9
103.05446	1.3
105.07018	22.3
107.05003	1.3
107.08585	26.1
109.06489	2.3
109.10140	20.6
116.99483	1.0
117.06979	4.2
119.08572	15.3
121.10133	20.4
123.05538	1.6
123.08055	1.2
123.11693	5.5
129.05473	23.2
129.06947	2.5
131.08563	5.4
133.10110	16.2
135.08008	1.4
135.11678	12.7
136.06131	1.2
137.13252	1.3
143.08522	2.6
145.10114	4.8
145.66829	1.2
147.11662	7.9
149.13228	5.1
151.11121	1.7
159.11688	4.2
161.13239	4.2
163.11237	1.8
163.14851	1.7
171.11632	2.5
173.13219	2.9
175.14778	2.7
176.98914	3.2
177.05313	1.1
185.13237	1.4
188.04594	2.0
189.16405	1.3
203.07025	4.3
217.19543	1.8
220.16991	1.4
222.18634	1.3
231.06520	3.2
238.18039	1.4
240.19568	1.7
241.19507	3.6
249.07474	2.6
254.75354	1.3
259.20557	1.8
310.34708	1.0
325.18845	1.1
332.57278	1.4
333.20740	3.4
333.24203	97.1
333.58093	1.4
334.24402	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	333.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
55.93514	5.6
56.94273	1.8
57.07058	6.7
59.04987	1.0
61.33244	0.7
62.84458	0.8
66.74261	0.6
67.05480	3.1
69.07054	0.9
70.95841	3.2
71.08618	4.3
71.93013	1.5
72.93774	10.9
73.94508	0.8
74.95348	0.7
79.05480	2.3
81.07028	3.0
85.10156	2.9
88.96869	1.5
89.06007	11.5
90.94801	6.1
91.05445	4.0
93.07016	2.2
95.04945	1.0
95.08590	1.8
98.98430	4.8
105.06987	2.5
107.08565	1.5
108.95834	2.9
109.10142	1.0
113.96367	1.2
113.97594	1.0
117.07058	0.7
118.94273	0.9
119.08553	1.3
125.96080	1.1
126.98388	1.3
128.96327	1.7
131.08540	0.7
131.97371	0.8
131.98679	1.4
133.08577	1.8
134.97314	1.1
138.98402	1.1
142.45387	0.8
142.97884	1.4
143.08568	0.8
144.95821	1.0
144.99446	1.7
146.97366	1.4
147.98091	1.2
150.12299	1.0
150.96935	1.4
150.98265	0.9
151.02051	1.1
151.09645	7.6
151.97609	1.3
154.97873	0.9
155.55482	0.7
159.00989	1.0
162.96733	1.4
164.99951	3.5
165.03651	1.1
165.97098	1.9
166.97876	1.0
168.99422	1.3
172.98927	1.1
175.01999	0.8
178.97902	2.4
180.99478	1.2
183.98141	2.6
188.04767	1.0
192.99451	1.1
199.02077	1.0
203.06979	2.5
213.03734	1.1
214.04367	1.4
215.05159	1.8
223.04152	0.7
226.04372	1.2
227.05185	1.6
229.06865	0.9
231.06531	0.9
239.05199	0.8
241.05089	1.6
252.90251	0.8
253.06732	1.0
255.06645	1.4
275.07288	1.3
279.08270	2.5
281.09940	4.2
283.11417	1.6
327.10422	1.1
329.11917	4.3
331.13531	7.6
333.15048	100.0
334.15408	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	333.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05502	5.0
56.05024	1.5
57.05806	0.5
60.04517	13.5
60.05647	0.6
69.07061	1.5
69.81388	2.8
70.02935	1.0
70.06577	6.2
72.08145	100.0
72.93723	0.5
73.08477	1.3
74.02423	1.2
74.06075	1.7
74.64245	0.4
75.11436	0.4
79.63808	0.5
83.06092	2.4
84.04498	3.0
84.08132	9.6
85.02908	0.8
85.04028	0.6
85.08472	0.7
86.06044	1.5
86.09692	27.7
87.05579	9.9
87.10022	0.6
88.03992	1.9
91.43819	0.5
96.08109	1.4
97.02885	1.4
98.02422	1.0
98.20734	0.5
98.98443	1.6
101.07169	0.5
102.05526	1.0
103.02454	1.5
106.05020	0.9
107.04976	0.7
110.02365	0.9
110.07166	2.2
112.08720	1.0
113.07143	2.1
113.10754	1.0
114.09155	1.2
116.03418	0.8
116.07072	0.9
119.01917	1.6
119.05019	0.6
120.08121	1.2
121.03465	1.0
123.05541	3.2
124.07613	1.5
128.10703	2.4
129.10225	6.5
130.05040	0.8
130.08551	0.7
131.01918	1.3
131.08159	6.0
133.03406	0.8
133.06078	14.0
136.06186	3.2
136.07555	0.8
138.09082	0.8
141.06519	2.7
141.10184	3.1
143.11824	0.8
145.03474	1.6
145.06090	1.2
147.11302	0.7
149.02930	0.8
154.08665	0.9
155.11813	2.5
158.09314	0.7
159.07635	6.3
159.08939	0.8
159.11261	8.6
163.03850	3.8
169.09779	1.4
170.06111	0.5
173.02928	0.9
173.12839	16.8
175.10756	21.7
183.03947	0.7
183.11279	1.4
187.10796	3.0
189.12344	0.8
193.03500	1.0
195.05116	0.6
199.04625	0.8
199.10719	0.6
200.13927	11.0
201.02475	0.7
201.12323	6.5
209.02867	1.4
212.13924	1.2
213.12234	0.6
217.02127	0.7
221.02972	1.6
228.13429	2.8
239.03976	1.0
240.13399	11.9
244.13036	1.3
245.05084	1.2
257.05063	3.3
258.14511	1.6
262.05731	1.0
262.14041	1.9
280.06778	1.3
293.05264	0.6
311.06210	1.3
315.16565	1.7
316.06320	0.7
316.15118	0.5
333.18030	4.2
334.07806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2176
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.05499	0.5
56.05024	1.3
56.05264	0.2
57.03419	0.3
60.04524	1.4
64.38735	0.2
67.39407	0.2
69.07048	1.0
69.67059	1.3
69.67471	0.5
70.02958	0.2
70.06583	12.7
71.06915	0.7
72.08145	5.4
74.06063	1.0
77.15330	0.2
79.05498	0.2
81.07053	0.6
83.06084	0.3
83.38448	0.2
84.04498	3.5
84.08135	5.1
85.04844	0.3
85.06530	0.9
85.08483	0.4
86.09694	100.0
87.10032	1.3
88.03981	1.0
90.05546	2.3
91.05462	1.5
93.04543	0.3
97.02846	0.3
97.06519	0.4
98.06047	0.8
98.98454	3.2
101.07172	0.4
102.05549	2.0
104.05300	0.4
106.05027	0.6
107.04942	0.3
108.34631	0.2
110.07161	1.6
112.08706	0.4
113.07170	0.4
115.05028	0.2
115.08707	0.4
116.03451	0.3
116.07094	0.9
119.04934	1.5
120.06567	0.9
120.08085	2.1
123.05502	1.3
126.05544	0.4
127.08656	0.3
129.06613	0.3
129.10196	2.1
130.04979	0.5
130.06506	0.3
130.08646	0.4
134.06067	0.3
135.04387	0.4
136.06200	1.0
136.07509	0.4
137.05908	0.2
141.06572	0.3
141.10181	0.4
144.06566	0.5
147.04401	3.9
148.06032	1.5
153.05489	0.5
156.07690	0.4
157.13327	4.2
161.09256	0.4
167.07071	0.3
170.04405	0.4
170.11765	0.3
171.14967	0.3
175.04210	0.2
183.14989	0.3
184.57704	0.2
185.09151	0.2
185.12851	2.2
185.16481	2.3
197.12848	1.6
199.18031	27.7
200.18462	0.6
201.12343	1.8
213.15967	1.7
215.13904	1.1
219.07965	0.3
219.13385	3.8
225.12444	0.7
227.17513	16.0
228.17876	0.5
229.11867	0.8
243.13448	0.4
261.14624	0.3
272.98315	0.3
276.16913	0.6
307.47510	0.2
314.20706	2.8
332.21573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.7
56.05025	11.5
57.03415	1.1
57.05796	0.6
58.06585	5.2
60.04506	1.7
60.05626	0.9
61.01119	0.6
61.40708	0.4
67.05480	0.7
69.07062	3.3
69.54003	2.9
69.54423	1.1
70.06580	26.6
71.06911	1.2
71.07319	0.7
72.08141	55.5
73.04025	1.5
73.08457	0.6
74.06066	26.1
75.05553	0.7
79.05460	1.0
81.07036	0.9
82.06577	1.0
82.63499	0.5
83.04977	0.6
83.06081	0.9
84.04490	19.4
84.07632	0.9
84.08127	14.1
85.02886	1.2
85.06519	1.9
85.08469	0.7
86.09691	38.5
87.05584	0.8
87.10017	1.8
88.03959	1.9
91.05452	2.2
91.39470	0.6
93.07047	1.1
95.04971	0.6
95.08618	0.9
96.08109	1.7
96.94165	0.5
98.98450	3.4
101.07123	24.7
102.05518	4.6
103.05444	1.3
104.05287	1.2
108.08108	1.3
110.07160	2.7
110.09646	5.2
112.07573	2.0
112.08707	2.6
112.11218	1.5
115.08638	1.6
116.07048	1.5
119.04919	1.4
120.06553	1.0
120.08082	7.6
123.05531	1.2
125.07069	0.6
126.09145	0.6
128.10695	16.0
129.06587	0.6
129.10216	12.7
130.04996	2.4
130.06534	1.5
130.08588	3.4
132.10144	3.3
133.06061	0.5
136.06139	1.0
136.07533	5.0
138.09093	0.7
141.10164	2.6
142.12245	0.7
143.08229	0.6
143.11781	5.7
144.06534	3.8
146.06026	0.6
147.04393	1.9
147.07625	0.7
147.11270	3.7
152.07033	0.9
152.10675	0.6
155.11769	1.9
162.07588	5.2
164.07394	0.7
166.08604	1.0
169.09692	1.9
170.11729	1.9
171.11292	1.2
173.12828	100.0
174.13144	2.2
175.11884	0.7
181.06018	1.1
183.11215	0.9
185.10556	0.6
185.16443	1.6
186.58099	0.5
187.14374	8.7
201.12308	51.7
202.12585	0.8
203.06703	0.5
211.11844	2.0
213.15923	0.7
215.13843	5.1
219.13370	1.4
223.08560	0.6
228.14462	1.1
231.16945	2.8
246.18088	1.5
261.12662	1.3
274.19199	0.5
314.19925	0.7
316.12891	0.5
322.18549	0.7
332.08316	0.8
332.16403	0.7
332.21802	1.7
333.10822	0.7
342.67508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
53.95331	1.4
55.05504	12.2
57.03439	6.6
57.07070	100.0
65.99681	1.3
67.05499	23.9
69.07069	16.8
70.13116	8.3
71.08625	77.7
71.76714	1.3
75.04460	4.5
78.24281	1.2
79.05479	2.4
79.48833	1.5
81.06574	2.0
81.07052	37.8
83.08611	28.6
85.10173	41.1
88.07610	1.4
89.06001	1.8
90.00712	1.1
93.07040	2.5
95.08598	58.5
97.10155	13.0
98.97837	2.5
98.98459	49.7
99.11700	2.8
109.10160	22.3
111.11697	4.2
112.38899	1.2
116.38387	1.5
123.11693	13.2
125.13244	3.3
137.13220	7.5
148.72414	1.4
151.14767	3.7
158.90230	1.5
165.16379	2.1
174.99226	3.1
176.98918	4.3
188.04669	1.4
221.22610	2.9
239.23677	35.4
240.19713	1.3
257.24680	7.7
298.27228	1.5
313.27335	85.5
314.27652	2.0
331.33936	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	331.2836
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
51.95792	1.4
53.99405	1.3
55.05506	10.3
57.03410	7.2
57.07064	92.2
60.37350	1.6
67.05494	20.2
68.23565	1.7
69.07054	15.0
69.37183	17.9
70.06582	10.8
71.08619	58.1
75.04422	2.0
79.05472	1.9
79.44203	1.7
81.06594	2.3
81.07040	33.9
83.08608	19.7
85.10168	36.7
88.07622	10.4
89.07974	2.6
95.08588	43.2
97.10136	12.0
98.98451	54.3
99.11714	3.0
102.09137	1.9
106.08636	5.5
107.09025	1.9
109.10137	23.3
111.11684	4.0
119.11566	1.8
123.11662	12.2
125.13257	1.7
137.13220	5.4
151.14763	2.5
174.99191	2.6
176.98935	6.0
177.77608	1.9
185.96771	1.8
215.98030	1.5
221.22574	3.2
239.23653	30.5
252.99681	2.2
257.24670	7.9
278.79254	1.8
278.97119	1.7
313.27325	78.7
313.32983	6.2
314.27765	1.8
331.33936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
50.84137	1.2
51.04003	1.2
55.05508	12.3
57.03434	7.8
57.07070	100.0
58.11699	1.3
62.46439	1.5
67.05499	25.7
69.07067	19.5
70.02128	9.3
71.08625	73.5
73.09409	1.3
75.04460	3.6
79.05487	1.6
81.07050	30.9
83.08608	26.8
85.10175	40.7
89.06010	2.2
93.07014	2.0
95.08598	50.7
97.10166	13.0
98.98457	62.7
98.99113	3.1
99.11743	3.4
109.10145	29.6
111.11684	1.8
123.11694	13.3
125.13261	3.4
137.13231	4.6
139.14708	2.4
151.14787	2.6
153.78487	1.4
165.16385	1.6
174.99225	2.4
176.98924	5.3
221.22545	3.5
239.21312	1.8
239.23688	31.5
244.18088	1.7
257.24762	8.1
269.55487	1.5
313.27344	84.1
314.27640	2.0
318.44110	1.6
331.33865	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	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01865	2.1
55.05489	1.1
56.05030	2.2
57.03423	4.3
60.04504	1.8
61.02924	7.5
69.03420	13.0
69.07053	3.3
70.06578	7.3
71.04982	2.4
71.21111	2.5
72.08147	32.2
73.02904	3.1
73.08502	1.1
73.93785	1.0
74.06052	1.4
77.63235	0.8
79.05470	1.0
81.03394	5.4
81.05266	1.2
81.07080	1.1
84.04486	7.3
84.08130	4.2
85.02898	72.6
86.09695	100.0
87.04469	2.4
87.09526	1.5
87.10020	12.5
88.03953	1.0
88.61409	1.1
90.05573	1.0
91.03947	3.7
91.05471	5.4
93.32034	0.9
97.02885	21.6
98.98457	14.3
99.04444	4.6
102.05547	4.8
106.02885	1.5
107.04944	23.7
109.02857	6.9
112.08746	1.1
115.08716	3.6
116.07120	1.2
116.09007	2.6
119.04932	2.9
120.06570	1.2
120.08117	2.9
123.04550	2.0
123.05531	15.2
124.07587	2.3
127.03902	18.2
129.10234	3.5
130.10529	1.1
132.10191	4.0
135.04414	4.1
136.06165	12.6
137.05928	1.0
143.08168	1.7
143.11804	3.4
144.06581	2.0
145.04939	32.0
147.04398	7.7
150.05489	0.9
152.07104	2.3
153.05457	13.8
155.08176	2.0
157.13353	1.4
162.07576	6.8
163.05992	8.9
170.08110	8.7
171.06462	1.0
171.11302	1.1
172.33687	1.0
173.05965	1.9
173.09206	1.3
176.98891	1.4
180.08665	13.2
183.07748	1.7
185.16472	12.9
189.12354	4.1
190.12616	4.3
199.18011	12.8
201.08717	1.8
213.15991	8.7
219.06540	5.3
219.13364	2.3
227.17523	6.6
243.13412	1.2
257.16840	1.6
261.07617	1.5
273.02887	0.9
314.20786	2.0
332.13483	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	331.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94999	0.8
55.05499	4.9
56.05019	3.7
58.72193	0.8
60.04520	4.5
60.05614	1.0
69.03435	1.4
69.07042	1.7
70.06578	20.4
70.24424	3.9
71.06930	0.9
72.08139	100.0
73.08465	1.1
74.06060	2.8
84.04491	31.9
84.08126	49.1
85.02882	3.4
85.08442	1.3
86.09689	92.1
87.10017	1.0
88.03977	1.2
89.02358	1.8
90.05547	1.1
91.05443	1.3
94.78239	0.8
97.02879	1.2
97.07626	1.1
98.06030	2.0
98.20792	1.2
98.98449	51.4
100.98885	1.2
101.07121	7.2
101.10751	2.0
102.05518	3.9
106.05077	0.9
107.04884	1.3
110.07141	2.8
111.87779	0.8
112.07560	4.2
112.08720	1.9
115.08664	12.9
116.07022	1.6
116.99461	1.6
119.04865	1.1
120.08023	1.0
127.03849	0.9
127.08668	0.8
129.10217	29.7
130.04976	55.6
130.08606	6.4
132.10172	1.4
132.95798	1.4
135.04393	4.6
136.07576	2.1
143.08138	11.4
143.11806	4.4
144.06540	1.3
145.04906	0.9
147.04417	3.2
147.07619	86.6
147.11256	8.4
148.06033	2.6
151.94855	0.8
152.07062	1.3
155.06927	1.1
155.08119	0.9
157.13338	34.9
161.09224	1.6
162.07611	0.9
163.03888	4.8
169.13246	1.0
171.11226	3.1
174.96843	1.9
174.99216	3.6
175.11862	2.0
176.98842	6.4
185.12810	14.1
189.12315	25.2
197.12820	6.5
200.13992	1.1
203.10223	1.0
218.15010	1.2
219.09769	2.3
234.98961	0.9
242.14961	9.7
242.18631	1.1
252.99730	0.9
258.11523	0.8
260.16000	5.2
260.19778	1.1
273.92871	1.0
284.76602	0.8
331.04636	2.0
331.19745	7.9
331.23761	16.8
332.09561	1.2
350.10855	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	331.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15865	0.3
52.58284	0.3
55.05492	0.9
56.05032	0.9
60.04515	0.4
61.02892	0.6
69.03395	0.7
69.07050	0.8
69.81308	1.8
70.06577	5.7
71.06924	0.4
72.08140	10.2
72.08546	0.6
74.06065	0.7
81.03378	0.5
81.74395	0.3
83.06080	0.8
84.04492	2.6
84.08128	4.4
85.02890	4.6
86.09689	100.0
87.05578	0.4
87.10027	1.3
88.03979	0.4
89.07135	1.1
91.05461	2.0
92.05778	0.8
97.02883	1.3
98.98447	23.1
100.98830	0.4
101.07115	0.9
102.05560	0.5
107.04922	1.8
109.02854	0.5
112.11203	0.4
115.08669	13.5
116.99500	0.7
119.04908	0.8
120.08063	0.5
127.03896	1.4
129.06602	0.7
129.10217	3.9
130.04958	0.4
130.08626	0.4
132.10188	1.1
135.04411	0.9
136.07576	0.5
143.08130	10.4
143.09232	0.5
143.11723	0.7
144.10353	0.4
145.04933	2.4
147.04379	2.5
147.11258	0.8
153.05421	1.0
154.09734	0.5
155.08183	0.7
157.09717	0.7
157.13339	4.4
162.06293	0.4
162.07561	0.3
163.03838	0.3
163.06059	0.5
168.04758	0.6
169.05084	1.0
170.08105	0.9
171.11287	0.7
174.99216	1.1
175.10799	1.0
176.98917	2.2
180.08714	0.8
183.07674	0.9
185.12775	2.2
185.16544	0.3
189.12311	31.3
190.05814	0.9
190.12695	0.4
190.95897	0.3
199.18045	0.4
200.10310	1.5
203.06978	0.4
203.13933	0.9
211.14380	3.9
213.16002	0.6
236.06390	1.0
242.15079	1.2
256.16519	6.6
260.16058	1.3
313.18668	0.9
331.20200	1.5
331.23557	0.8
332.13507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05504	6.2
57.03417	2.6
57.07059	2.4
58.97964	0.5
60.04504	0.7
67.05496	13.3
69.03412	0.6
69.07060	5.3
70.06575	2.4
71.04977	0.9
71.08607	1.6
71.70500	1.0
72.08131	0.8
74.31081	0.5
79.05478	6.3
79.59250	0.5
81.02964	0.5
81.03421	1.3
81.06590	0.7
81.07049	11.4
82.29057	0.5
83.04977	4.1
83.08612	3.3
86.09668	0.5
87.04459	4.1
88.07617	1.0
91.05477	5.3
93.07042	7.6
95.04954	1.6
95.08597	5.8
96.08155	0.6
97.06520	2.1
97.10162	2.4
98.98454	100.0
99.98880	0.7
100.98898	2.0
101.05986	1.0
105.07001	3.2
107.08578	3.5
108.08142	1.0
109.06525	0.8
109.10143	7.3
111.08026	1.3
116.99491	4.2
117.06981	0.8
119.08547	2.8
120.08152	0.8
121.10140	3.7
123.11716	2.8
125.09615	1.5
129.06992	0.6
131.08511	1.0
133.10129	1.5
135.11682	1.4
137.09579	1.0
137.60333	0.6
139.11145	3.0
140.01059	2.5
147.11691	1.9
148.41785	0.5
151.11133	0.6
154.12178	0.7
155.10661	2.2
161.09669	0.6
161.13243	1.4
165.12677	0.7
173.11719	8.4
173.68283	0.6
174.99207	7.2
175.11270	0.7
175.99504	1.6
176.98940	8.7
189.11194	1.1
193.12230	1.6
199.14818	0.7
211.13275	2.4
220.17027	1.7
221.17444	0.6
222.18512	1.5
231.21095	0.8
238.18033	2.3
239.18681	2.0
240.19598	2.2
241.19780	1.2
244.18002	1.5
252.99780	2.0
254.99506	0.7
259.20596	0.7
270.27884	1.6
277.21558	7.8
278.21799	0.6
295.22681	5.5
329.89499	3.2
330.23529	1.2
330.27100	0.8
330.30002	7.0
330.33694	3.2
330.56821	3.0
330.90131	1.0
331.18936	1.7
333.69421	0.5
350.54987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90828	0.8
53.03934	0.9
55.01860	1.5
55.05499	11.7
56.05053	0.8
57.03426	3.3
57.07059	3.9
58.06577	1.3
59.91477	0.8
67.05496	14.8
69.03398	1.7
69.07061	5.1
70.06581	5.1
71.04979	1.3
71.08623	12.0
71.33492	1.8
72.08130	3.4
79.05473	7.8
81.07040	16.2
83.04966	2.7
83.08606	7.6
85.06509	1.1
87.04448	4.9
88.07613	4.9
91.05467	4.6
93.07013	6.5
94.74171	1.0
95.04955	1.7
95.08589	8.3
95.82241	0.8
97.06554	1.5
97.10145	9.7
98.98449	100.0
99.07483	1.3
99.08068	9.1
100.98864	1.5
101.05997	14.8
102.09167	1.7
105.07026	4.1
107.04910	0.8
107.08585	5.2
109.10132	5.5
111.08064	1.2
113.09660	1.1
116.99499	4.6
118.03841	0.8
119.08572	3.7
121.06494	1.2
121.10138	2.4
123.11690	2.6
125.09612	9.0
133.10097	3.1
135.11676	1.8
139.11206	1.3
140.01047	1.8
145.10179	1.1
151.11165	5.0
155.10675	2.4
156.17415	2.1
157.10072	1.1
159.11740	0.9
161.13181	4.2
163.11160	1.8
170.18874	0.9
171.10178	1.3
173.11723	5.8
174.99199	5.4
175.99500	1.3
176.98901	9.1
177.99210	0.9
179.14223	4.0
189.11179	16.3
189.12737	1.3
211.13243	1.3
220.16908	1.7
222.18460	1.3
238.17979	3.2
239.18698	1.6
239.68745	1.0
240.19545	3.4
240.73241	0.7
241.19682	1.1
244.17953	1.8
252.99438	1.9
254.99245	0.9
256.26361	6.2
259.20511	2.9
267.86722	0.8
268.29932	5.3
270.27853	1.0
277.21579	19.4
295.22607	7.9
329.76804	1.2
329.89667	3.7
330.23642	1.1
330.27090	1.2
330.29938	22.5
330.33655	16.8
330.56805	2.7
331.18951	1.2
331.23782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01864	1.4
55.05502	5.4
56.05023	2.5
56.05813	0.4
57.03416	0.7
57.05807	0.4
57.07045	0.4
58.06592	2.2
58.86232	0.4
58.99577	1.1
60.04521	2.2
60.85988	0.4
60.99155	0.6
61.01159	0.9
65.03932	0.5
67.05497	4.4
68.05018	0.8
68.99747	0.4
69.03416	1.9
69.07055	9.2
70.06579	21.8
71.04977	0.9
71.06907	1.0
72.08139	7.3
73.02909	0.7
74.06065	0.9
76.02222	2.1
76.04002	0.6
78.01791	1.7
79.05470	4.4
80.05009	0.5
81.03398	0.5
81.07047	5.0
82.06585	2.2
82.34857	0.5
83.04979	1.1
83.08601	0.8
84.04496	2.9
84.08123	6.7
84.08902	0.5
85.02882	2.6
85.06516	0.4
85.08427	0.5
86.00619	0.5
86.06064	0.9
86.09690	100.0
86.99026	0.5
87.05588	0.6
87.10001	1.1
88.03984	1.6
90.18906	0.5
91.05463	14.7
92.05799	1.3
93.07011	3.3
94.06554	3.1
95.04961	1.4
95.08594	3.9
96.08124	3.7
97.02898	1.5
97.10133	0.8
98.09686	1.1
98.20775	1.8
98.98449	54.2
99.05576	1.0
100.98867	0.7
102.05531	0.9
104.05303	1.9
105.07005	2.8
107.04956	0.9
107.07347	1.2
107.08554	2.5
108.08119	4.9
109.02848	0.8
109.06518	0.9
109.10150	2.1
110.07161	2.4
110.09676	2.5
111.04400	0.8
112.07579	0.5
112.08724	0.8
114.10229	0.4
116.01701	0.7
116.98668	0.5
116.99496	1.9
117.06986	0.8
119.01883	0.4
119.08593	2.5
120.08082	6.6
120.08875	0.5
121.06467	0.6
121.10133	1.2
122.02730	1.0
122.05978	0.7
122.09657	3.9
123.04417	1.1
123.08079	0.6
123.11723	0.5
124.11212	1.0
125.09673	0.4
127.03915	1.1
129.10219	3.7
130.04974	0.6
130.06503	1.0
131.08511	1.2
132.01131	0.5
132.08052	0.7
133.10089	1.4
134.09563	0.9
135.04372	0.5
135.08051	0.6
136.07539	1.3
136.11252	0.5
137.05911	0.6
138.05461	0.5
140.07024	1.9
143.08507	0.8
143.11839	0.5
144.08084	0.9
145.06068	1.2
145.08870	0.6
145.10094	0.9
146.11732	31.8
147.11678	1.0
148.03932	1.7
148.11208	0.8
150.05551	0.8
152.14365	0.7
155.05992	1.1
157.01323	1.3
157.13336	26.4
158.09824	1.6
159.09161	0.8
159.11699	0.5
162.02174	1.0
164.01671	0.8
165.01804	1.9
166.04964	3.2
167.05984	0.4
168.06551	1.0
169.07582	1.9
170.09644	0.4
171.07933	0.4
172.11208	0.7
173.13167	0.6
174.09210	1.3
174.12772	0.5
174.99182	3.7
175.99644	0.5
176.14436	0.5
176.98891	4.9
177.05470	0.7
179.04767	1.0
179.06129	1.0
181.04572	0.6
183.02870	1.1
183.05486	1.2
184.06009	2.1
184.11122	0.7
185.07129	0.7
185.12822	18.9
186.02025	0.6
186.09122	0.6
191.14249	0.9
192.17587	0.6
193.07571	0.9
195.05530	3.2
196.06415	0.5
197.07011	1.5
200.10735	0.5
202.15874	0.8
203.11990	2.3
208.05128	0.8
213.06497	1.8
217.15395	6.2
218.15401	1.0
220.16911	11.4
221.07088	1.7
221.17291	1.8
222.15045	0.5
222.18515	5.1
223.00018	0.6
223.18871	1.5
225.06619	2.3
227.04738	1.4
229.06102	1.4
231.11580	1.1
232.17050	0.6
234.14906	0.6
235.17500	0.5
236.16385	1.2
237.19359	0.6
238.17961	18.5
239.08112	1.5
239.18521	4.2
239.20966	0.9
239.68993	1.2
240.19540	12.9
241.19914	3.1
244.18024	9.3
244.68170	1.6
248.16347	0.6
248.18915	0.7
248.69447	2.9
249.19867	1.0
250.17961	1.5
252.99681	0.8
254.99452	0.5
256.19043	2.7
257.19376	1.7
258.18307	0.6
259.20001	0.9
267.07596	1.3
269.08105	1.0
270.17856	1.1
271.07059	4.9
271.18546	0.5
272.18692	0.6
277.05923	0.8
285.08673	6.2
286.17816	0.6
295.07114	3.0
299.68558	0.5
304.19067	0.6
308.18399	1.0
312.16132	0.9
313.04904	1.2
313.08167	9.8
313.11801	0.9
315.08365	2.1
316.18246	1.6
320.71347	1.4
321.17392	0.8
321.71078	0.6
322.16397	0.5
329.71359	4.1
329.89609	3.6
330.10971	3.0
330.17944	36.0
330.21622	8.1
330.56882	5.5
330.68192	11.7
330.71674	2.9
330.90298	2.5
331.09052	11.2
331.12863	0.8
331.18463	4.7
331.24103	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	330.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01864	1.4
55.05502	5.4
56.05023	2.5
56.05813	0.4
57.03416	0.7
57.05807	0.4
57.07045	0.4
58.06592	2.2
58.86232	0.4
58.99577	1.1
60.04521	2.2
60.85988	0.4
60.99155	0.6
61.01159	0.9
65.03932	0.5
67.05497	4.4
68.05018	0.8
68.99747	0.4
69.03416	1.9
69.07055	9.2
70.06579	21.8
71.04977	0.9
71.06907	1.0
72.08139	7.3
73.02909	0.7
74.06065	0.9
76.02222	2.1
76.04002	0.6
78.01791	1.7
79.05470	4.4
80.05009	0.5
81.03398	0.5
81.07047	5.0
82.06585	2.2
82.34857	0.5
83.04979	1.1
83.08601	0.8
84.04496	2.9
84.08123	6.7
84.08902	0.5
85.02882	2.6
85.06516	0.4
85.08427	0.5
86.00619	0.5
86.06064	0.9
86.09690	100.0
86.99026	0.5
87.05588	0.6
87.10001	1.1
88.03984	1.6
90.18906	0.5
91.05463	14.7
92.05799	1.3
93.07011	3.3
94.06554	3.1
95.04961	1.4
95.08594	3.9
96.08124	3.7
97.02898	1.5
97.10133	0.8
98.09686	1.1
98.20775	1.8
98.98449	54.2
99.05576	1.0
100.98867	0.7
102.05531	0.9
104.05303	1.9
105.07005	2.8
107.04956	0.9
107.07347	1.2
107.08554	2.5
108.08119	4.9
109.02848	0.8
109.06518	0.9
109.10150	2.1
110.07161	2.4
110.09676	2.5
111.04400	0.8
112.07579	0.5
112.08724	0.8
114.10229	0.4
116.01701	0.7
116.98668	0.5
116.99496	1.9
117.06986	0.8
119.01883	0.4
119.08593	2.5
120.08082	6.6
120.08875	0.5
121.06467	0.6
121.10133	1.2
122.02730	1.0
122.05978	0.7
122.09657	3.9
123.04417	1.1
123.08079	0.6
123.11723	0.5
124.11212	1.0
125.09673	0.4
127.03915	1.1
129.10219	3.7
130.04974	0.6
130.06503	1.0
131.08511	1.2
132.01131	0.5
132.08052	0.7
133.10089	1.4
134.09563	0.9
135.04372	0.5
135.08051	0.6
136.07539	1.3
136.11252	0.5
137.05911	0.6
138.05461	0.5
140.07024	1.9
143.08507	0.8
143.11839	0.5
144.08084	0.9
145.06068	1.2
145.08870	0.6
145.10094	0.9
146.11732	31.8
147.11678	1.0
148.03932	1.7
148.11208	0.8
150.05551	0.8
152.14365	0.7
155.05992	1.1
157.01323	1.3
157.13336	26.4
158.09824	1.6
159.09161	0.8
159.11699	0.5
162.02174	1.0
164.01671	0.8
165.01804	1.9
166.04964	3.2
167.05984	0.4
168.06551	1.0
169.07582	1.9
170.09644	0.4
171.07933	0.4
172.11208	0.7
173.13167	0.6
174.09210	1.3
174.12772	0.5
174.99182	3.7
175.99644	0.5
176.14436	0.5
176.98891	4.9
177.05470	0.7
179.04767	1.0
179.06129	1.0
181.04572	0.6
183.02870	1.1
183.05486	1.2
184.06009	2.1
184.11122	0.7
185.07129	0.7
185.12822	18.9
186.02025	0.6
186.09122	0.6
191.14249	0.9
192.17587	0.6
193.07571	0.9
195.05530	3.2
196.06415	0.5
197.07011	1.5
200.10735	0.5
202.15874	0.8
203.11990	2.3
208.05128	0.8
213.06497	1.8
217.15395	6.2
218.15401	1.0
220.16911	11.4
221.07088	1.7
221.17291	1.8
222.15045	0.5
222.18515	5.1
223.00018	0.6
223.18871	1.5
225.06619	2.3
227.04738	1.4
229.06102	1.4
231.11580	1.1
232.17050	0.6
234.14906	0.6
235.17500	0.5
236.16385	1.2
237.19359	0.6
238.17961	18.5
239.08112	1.5
239.18521	4.2
239.20966	0.9
239.68993	1.2
240.19540	12.9
241.19914	3.1
244.18024	9.3
244.68170	1.6
248.16347	0.6
248.18915	0.7
248.69447	2.9
249.19867	1.0
250.17961	1.5
252.99681	0.8
254.99452	0.5
256.19043	2.7
257.19376	1.7
258.18307	0.6
259.20001	0.9
267.07596	1.3
269.08105	1.0
270.17856	1.1
271.07059	4.9
271.18546	0.5
272.18692	0.6
277.05923	0.8
285.08673	6.2
286.17816	0.6
295.07114	3.0
299.68558	0.5
304.19067	0.6
308.18399	1.0
312.16132	0.9
313.04904	1.2
313.08167	9.8
313.11801	0.9
315.08365	2.1
316.18246	1.6
320.71347	1.4
321.17392	0.8
321.71078	0.6
322.16397	0.5
329.71359	4.1
329.89609	3.6
330.10971	3.0
330.17944	36.0
330.21622	8.1
330.56882	5.5
330.68192	11.7
330.71674	2.9
330.90298	2.5
331.09052	11.2
331.12863	0.8
331.18463	4.7
331.24103	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	330.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01863	1.0
55.05505	4.7
56.05025	7.4
57.03433	1.3
57.05820	0.4
58.06591	4.0
60.04515	6.7
60.05645	1.6
61.01140	0.9
61.02921	1.4
62.17658	0.4
65.03903	0.7
67.05489	1.6
68.05022	0.5
69.03412	2.4
69.07059	5.9
69.66586	2.3
69.67004	1.1
70.02953	1.7
70.06580	100.0
71.04995	1.2
71.06909	2.9
72.08145	25.7
73.08493	1.5
74.02429	1.0
74.06067	14.4
76.02220	0.5
76.04001	0.4
79.05487	1.9
80.05024	0.4
81.03413	1.4
81.04512	0.5
81.07041	8.8
81.07507	0.7
82.06573	1.3
83.04954	1.1
83.06099	1.3
84.04491	16.4
84.08131	23.8
85.02892	8.0
85.06535	0.5
85.08466	1.0
86.06063	2.6
86.09692	56.4
87.04447	0.9
87.05593	2.2
87.10051	1.9
88.03982	4.3
90.05556	1.6
91.05466	23.6
92.05782	1.0
93.04538	0.4
93.07045	2.1
95.01343	0.5
95.04971	1.1
95.06087	1.5
95.08605	1.1
96.04497	0.5
96.08121	1.0
97.02894	2.5
97.03992	0.4
97.06533	1.0
98.06037	1.5
98.09679	0.8
98.21452	0.9
98.98450	82.5
99.04433	1.0
99.08084	6.7
99.98902	0.6
100.02182	0.4
100.07624	0.5
100.11255	0.5
100.98870	1.3
101.07124	7.0
101.10757	0.5
102.05521	4.3
103.05440	2.0
104.05294	1.5
104.05902	0.5
104.07081	1.1
105.07042	0.6
106.05007	1.6
107.04955	1.3
107.08583	1.3
108.08102	3.5
109.02895	0.7
109.06494	1.2
109.10139	1.2
110.05998	1.1
110.06400	0.5
110.07146	7.5
110.09638	0.9
111.04491	0.8
111.05534	0.4
111.09217	0.4
112.07591	0.7
112.08712	4.1
112.11234	1.3
113.07111	1.0
113.09608	1.9
114.05512	0.6
114.09126	0.5
115.08678	2.5
116.07075	31.2
116.99508	3.1
117.05741	0.8
117.07443	0.5
118.06526	1.9
119.04937	1.5
119.08557	0.5
120.04459	1.0
120.06574	2.6
120.08085	24.4
121.06555	0.5
121.08425	13.7
122.02742	0.5
122.06020	0.8
122.09652	1.9
123.04391	2.0
123.08072	0.7
124.07561	0.8
124.11201	1.2
125.07113	0.8
125.09595	0.6
126.05492	1.1
126.12785	0.9
127.03917	1.2
127.04914	0.5
127.08655	2.2
127.09922	0.7
128.07045	0.7
129.06577	2.2
129.10233	10.5
130.04980	1.8
130.06494	2.7
130.08626	5.1
132.08113	0.8
132.10167	2.7
133.06105	0.9
134.04462	0.6
134.05989	3.5
136.07552	4.5
137.05978	0.5
137.07901	1.3
138.05478	0.4
138.06587	0.6
138.09138	0.9
139.08617	0.5
140.01100	0.5
140.07057	0.5
140.08160	0.8
140.10701	1.7
141.06609	1.4
141.09082	1.0
141.10150	0.8
141.13849	1.6
142.08621	0.5
142.12265	2.5
143.11725	3.7
144.04388	0.9
144.06540	3.5
145.04942	0.9
147.04425	2.5
147.07755	0.6
147.11284	1.6
148.06061	0.9
149.05939	0.6
150.05598	0.6
150.09102	2.1
151.11105	1.0
151.12212	0.6
152.07028	0.8
152.10632	0.8
153.06609	0.8
153.10197	1.0
153.12756	2.0
154.06458	0.6
155.08124	1.5
155.11742	1.8
156.07739	1.0
157.09712	1.1
157.13287	0.9
158.11714	0.8
159.07611	1.1
159.09035	0.6
160.07523	2.0
161.09209	2.8
161.12849	0.6
163.03876	0.6
164.07004	0.8
165.05432	0.5
166.05922	0.5
168.04765	16.4
168.06322	0.8
168.10213	2.6
169.09660	0.6
169.12175	1.0
169.13437	2.8
170.05989	0.5
170.09207	0.9
171.07608	0.9
171.11285	5.7
172.10759	0.5
173.09181	0.6
173.12793	1.3
174.99199	6.3
175.11880	1.6
175.99600	1.3
176.98889	7.2
177.05400	0.6
180.08070	0.4
180.10127	0.8
181.09680	0.9
182.05998	0.5
182.08067	1.3
183.08427	0.9
183.11293	0.8
183.14906	1.3
186.12280	0.7
187.10794	1.7
187.14384	21.8
189.08667	0.6
195.11400	0.5
197.12888	4.2
197.16795	0.4
199.10692	6.3
201.12369	1.4
203.12079	1.5
203.13846	0.5
204.08052	0.5
210.11134	2.2
215.13866	9.4
215.32483	0.4
216.14137	0.6
217.08154	0.8
217.12900	0.4
220.16965	0.8
226.15337	0.5
229.11696	0.4
229.15417	11.8
230.15543	0.6
231.11511	1.2
231.13390	1.9
233.14946	0.9
238.17978	1.6
243.13283	2.1
250.08626	1.1
252.99826	2.1
253.99948	0.5
254.99542	0.7
258.15137	0.6
266.15045	0.5
272.06888	0.4
276.15747	0.5
278.18393	1.0
284.16028	2.2
285.12451	0.5
294.16992	0.6
312.14676	1.4
312.18399	1.4
315.04712	0.6
321.21542	0.4
329.68173	0.5
329.71930	0.7
330.11292	1.0
330.15698	4.8
330.19641	14.1
331.04520	0.6
331.08289	1.5
331.12686	0.9
331.16733	0.8
331.20428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50491	0.3
55.05494	0.7
56.05018	1.2
60.04512	1.9
69.07039	1.6
69.32347	0.7
69.32754	2.9
70.02935	2.3
70.06577	32.9
71.05006	0.4
71.06901	1.0
72.04511	0.4
72.08142	4.2
74.02455	0.4
74.06049	0.9
82.06575	0.4
83.06084	0.8
84.04484	3.4
84.08127	16.8
85.02867	0.9
85.06509	0.4
85.08446	0.5
86.09689	11.7
87.05575	7.7
87.10013	0.6
88.03976	12.0
91.05466	2.4
95.06065	0.5
96.04469	1.3
98.02375	1.6
98.06026	0.5
98.98447	100.0
99.05563	3.3
100.03975	0.5
100.98888	0.9
101.07117	0.5
101.10780	0.3
102.05526	1.4
107.04947	0.5
109.02886	0.3
110.07127	2.6
112.08691	0.4
113.07087	1.0
114.05507	2.0
115.08647	0.8
116.07061	0.8
116.99483	3.2
120.08064	1.8
124.03931	1.4
124.04948	0.3
125.07099	1.9
129.10229	7.7
130.04950	0.6
130.06499	0.4
130.08621	5.5
130.10609	0.5
132.04433	0.8
134.05968	0.6
135.06621	0.4
136.07578	1.4
138.06596	0.4
141.06557	3.7
142.04979	0.6
147.11266	6.6
147.12431	0.4
149.04565	0.7
151.05045	0.4
151.06224	0.8
152.05592	0.4
152.11215	0.3
159.07623	14.0
160.07962	0.7
163.03864	0.7
167.08173	0.7
168.04758	1.9
169.06032	1.6
173.12775	0.3
174.99185	10.5
176.98885	5.1
178.05862	0.4
180.08777	11.6
180.10365	0.7
183.14909	4.7
186.08725	1.1
187.07118	3.9
195.07652	1.4
197.12965	0.5
199.10847	0.4
200.12790	0.4
211.14330	2.0
212.10210	0.5
217.11778	0.7
219.12352	1.2
220.14424	0.9
238.08224	0.5
251.00047	0.9
252.99692	2.2
260.19635	1.2
266.07913	0.4
266.14825	0.6
283.10205	0.5
283.17795	0.3
293.12265	0.4
301.11539	0.5
308.15994	1.0
311.13000	0.5
312.19263	0.4
325.18704	0.8
328.69363	0.6
329.20526	1.2
330.16168	0.3
330.20276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1001
Annotation	Desulfobenzylglucosinolate
Peak:m/z	Relative Intensity
55.01865	1.2
55.56108	0.8
57.03421	1.1
61.02908	2.5
63.09272	0.7
69.03425	4.0
69.93830	3.5
70.06581	8.5
81.03375	1.7
84.04496	1.0
84.08144	0.9
85.02892	19.0
86.09702	4.2
91.05466	100.0
92.05800	2.2
97.02869	3.4
98.98449	18.9
104.05029	0.9
106.06522	1.1
109.02847	1.1
116.04942	0.9
117.05728	1.6
127.03880	2.6
134.05988	15.4
135.02628	1.1
145.04964	2.9
152.07057	1.5
163.03835	1.7
168.04765	79.9
169.05099	2.4
174.99248	1.4
175.93904	0.7
176.98891	2.0
189.05409	0.9
189.74274	0.8
217.11818	2.2
235.83522	0.7
250.81442	0.8
295.08047	1.8
314.54074	0.8
330.20966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.149
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
51.02397	0.2
53.03933	0.2
55.01855	0.3
55.05509	1.3
55.62683	0.2
56.05031	1.4
58.06590	0.4
59.04994	1.2
60.04517	2.1
60.05319	0.6
60.05622	0.4
61.01140	0.2
61.02947	0.2
63.84165	0.1
65.03954	0.2
67.05494	0.4
68.05030	0.3
69.03411	0.5
69.07059	1.3
69.43658	0.2
69.44054	1.3
70.02946	0.5
70.06581	22.1
71.04981	0.4
71.06922	1.1
72.04492	0.2
72.08144	10.2
73.06548	2.0
73.08484	0.8
74.02409	0.2
74.06071	1.6
74.06864	0.6
76.03977	0.5
77.01579	0.2
77.03912	0.2
77.10378	0.2
79.05458	0.4
80.97379	0.2
81.03419	0.3
81.07046	0.6
82.06551	0.4
83.04958	0.2
83.06095	0.6
84.04495	4.2
84.08132	8.4
85.02878	1.0
85.04810	0.2
85.06567	0.3
85.08463	0.3
86.06052	0.3
86.09692	14.1
87.05573	0.6
87.09509	0.2
87.10025	1.5
88.03980	1.5
90.05550	1.2
91.05459	4.1
93.04529	0.3
93.07034	1.9
95.04953	0.7
95.06056	0.3
95.08608	0.3
96.04500	0.2
96.88164	0.2
97.02859	0.4
97.07596	0.2
98.06024	0.3
98.98452	79.6
99.04402	0.2
99.05533	0.2
100.07551	0.2
100.98864	0.5
101.07106	0.5
101.10736	0.2
102.05507	1.1
103.05441	5.7
104.05281	0.4
105.03349	0.2
105.07017	0.4
106.05030	0.3
107.04944	0.4
108.08099	0.3
109.06480	0.3
110.06010	0.2
110.07148	2.8
110.09692	0.2
111.05614	0.2
111.09132	0.3
112.05070	0.4
112.07530	0.3
112.08733	1.0
113.07103	0.5
114.09116	0.2
115.08701	0.8
116.07085	3.7
116.99489	3.1
117.07384	0.6
117.09100	0.4
118.06532	0.6
118.97568	0.2
119.04931	1.5
119.08551	0.3
120.08083	100.0
121.02747	0.2
121.06464	0.3
121.08430	2.5
122.09637	0.2
123.04417	1.5
123.08094	0.2
125.07130	0.4
126.05509	0.2
127.08673	0.4
128.03452	0.2
129.01961	0.1
129.06577	0.6
129.10216	4.7
130.04977	1.2
130.06499	0.5
130.08615	0.6
131.04849	0.2
132.10161	0.4
133.02873	0.4
133.06113	0.2
134.05954	0.4
135.04347	0.2
135.08018	0.2
136.07555	7.3
137.05977	1.2
137.07845	0.2
138.05522	0.2
138.06564	0.3
138.09068	0.3
140.01060	0.5
140.08168	0.3
141.10182	0.2
143.11766	0.6
144.04364	0.2
145.02785	0.3
146.03198	0.4
146.05972	0.2
147.04393	1.2
147.07698	0.2
147.11281	0.5
148.06015	0.2
149.05928	0.4
149.09552	0.2
149.11737	1.2
150.09061	0.4
150.12035	1.2
154.06303	0.2
155.06268	0.2
155.08144	0.5
155.11731	0.3
156.07686	0.6
157.09654	0.3
157.10812	0.5
157.13344	0.2
158.09244	0.3
159.07619	0.5
159.11273	0.3
160.07553	0.2
161.05972	0.3
162.05522	0.4
163.03938	0.3
164.06992	0.3
164.10655	0.2
165.05450	3.0
166.08580	0.3
167.08136	0.4
168.04759	1.8
168.10156	0.2
169.09702	0.2
169.13324	0.6
170.06023	0.2
171.07675	0.2
171.11296	0.3
172.10893	0.3
173.09244	0.3
173.12851	0.7
174.99207	9.2
175.11873	0.6
175.99489	0.3
176.98885	4.5
177.05420	0.6
178.05754	0.8
180.08827	0.3
181.09737	0.2
182.08107	6.2
182.63614	0.2
183.11281	0.4
183.14888	0.6
184.15211	0.2
185.09190	0.3
185.16475	0.4
186.16789	0.6
187.07204	0.2
187.10770	0.5
187.14374	0.7
190.08496	0.2
191.08971	0.2
192.07707	0.2
195.11258	0.3
197.10289	0.2
197.12822	0.7
199.10603	0.3
200.12750	0.7
201.12347	0.5
202.12640	0.3
203.12148	0.2
205.60948	0.2
207.13518	0.2
208.09615	0.4
213.15887	0.5
214.16132	0.5
215.13908	0.5
226.15427	0.7
229.15385	0.2
235.65701	0.2
239.14586	0.2
240.06816	0.7
243.13400	0.3
250.08502	0.3
250.99980	0.9
252.99605	1.7
253.16705	0.2
258.19644	0.2
273.14105	0.2
283.14359	1.3
284.15863	0.2
297.07239	0.2
311.12451	0.3
312.14096	0.2
328.56339	0.2
328.73206	0.2
329.00073	0.2
329.11484	1.1
329.14838	4.1
329.18918	0.3
329.23340	1.3
329.71741	0.2
330.11749	0.3
330.15729	0.4
330.19339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1491
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
53.03932	0.3
55.05500	0.6
56.05025	0.5
57.03418	0.2
60.04509	1.2
60.05642	0.4
61.69599	0.2
63.77005	0.2
65.03941	0.4
67.05489	0.6
68.07962	0.2
69.07058	0.3
69.93989	0.5
69.94400	0.5
70.02921	0.2
70.06581	13.4
71.04997	0.2
71.06914	0.8
72.08143	4.1
73.08484	0.3
74.06065	0.8
79.05480	0.4
81.07040	0.4
83.04979	0.2
83.06050	0.2
84.04495	2.9
84.08125	3.5
84.83264	0.2
85.02885	0.3
86.09692	7.2
87.05589	0.5
87.10029	0.6
88.03982	0.6
89.05973	0.2
90.05515	0.3
91.05466	22.0
92.05811	0.5
93.07030	0.6
95.04915	0.3
96.08099	0.3
98.06040	0.2
98.98450	30.9
101.07108	0.3
102.05516	0.3
103.05425	0.3
107.04942	2.1
108.08115	0.3
109.06515	0.8
109.10168	0.3
110.07122	1.3
112.08714	0.8
113.07085	0.3
115.08693	0.7
116.07090	0.6
116.99493	0.9
118.06499	1.2
119.04922	15.3
119.08560	0.7
120.05285	0.3
120.08083	10.6
121.06499	2.2
121.08453	0.5
126.05540	0.2
127.08665	0.3
129.10231	2.5
130.05005	0.8
132.08096	0.5
132.10133	0.4
133.06099	0.6
135.79158	0.2
136.07555	100.0
137.07919	1.6
137.09590	0.4
138.09067	0.3
140.08124	0.4
141.06482	0.3
141.10170	0.5
143.11841	0.2
145.02798	0.3
146.05991	1.3
147.04333	0.4
147.07991	0.6
155.08160	0.5
159.07700	0.2
164.10677	0.7
166.08603	5.3
166.09962	0.4
173.12856	0.8
174.99194	3.6
175.11942	0.3
176.98868	1.7
177.05444	0.3
178.05818	0.2
182.11771	0.4
183.11304	0.4
192.06523	0.3
197.12845	0.3
200.12772	3.6
201.12308	1.8
206.08061	1.4
211.14447	0.2
214.13026	0.2
214.63521	0.9
215.13646	0.6
216.14224	0.3
226.11819	0.5
229.15527	0.3
230.15779	0.7
238.12309	0.3
250.99980	0.3
252.99648	0.7
266.13983	0.4
283.14340	0.9
284.12708	0.5
312.11807	1.2
329.14542	5.0
329.20816	0.2
329.22433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
54.09699	0.5
55.01855	1.8
55.05505	14.7
61.39383	0.5
64.84640	0.5
67.05496	6.6
69.03412	2.2
69.07063	11.1
70.06570	1.9
71.70009	1.0
74.35758	0.5
78.52796	0.5
79.05482	8.0
81.07043	7.0
83.04963	2.2
83.08617	11.4
91.05465	4.6
93.07037	3.9
94.06523	0.5
95.04986	0.6
95.08602	4.4
97.06524	1.1
97.10158	21.8
98.98454	100.0
100.98879	0.6
105.07019	5.1
107.04875	0.6
107.08578	25.0
108.08177	0.6
109.06508	1.3
109.10128	1.0
111.08075	1.0
116.99481	3.9
117.06971	0.8
119.04836	0.5
119.08591	3.0
121.06491	0.6
121.10177	1.2
122.98743	0.4
123.08069	0.6
124.11264	0.7
125.09616	20.6
131.08521	1.1
133.10129	2.3
134.31972	0.6
135.08102	2.7
135.11681	1.1
140.01053	1.1
143.08446	0.6
143.10696	1.5
145.10095	2.4
145.47746	0.5
147.11668	2.6
149.09610	2.8
151.11174	0.7
153.09108	0.7
157.10059	0.5
159.11711	1.7
161.13231	1.4
163.11122	1.2
169.10036	0.7
170.11714	0.7
171.10150	2.6
173.13289	0.6
174.99207	10.5
176.98935	3.9
177.12698	0.5
179.14314	1.6
181.12248	1.0
182.08878	0.5
189.11197	32.9
220.17030	1.2
229.19479	0.8
233.15228	0.5
238.18060	1.9
239.18050	1.0
240.19608	1.1
251.00116	1.6
252.99826	1.2
257.18866	3.3
275.20035	31.5
293.21008	4.6
327.57614	1.4
327.91183	1.4
328.25217	1.5
328.75961	0.5
329.29132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.55207	0.3
53.57101	0.3
55.01856	1.5
55.05499	10.5
56.89941	0.3
67.05494	4.9
69.03407	2.0
69.07056	12.6
69.40270	3.3
70.06570	1.4
76.02230	0.4
79.05483	5.7
81.03410	0.7
81.07040	6.3
83.04967	1.0
83.08606	8.2
84.08139	0.7
85.06564	0.5
86.09694	0.5
91.05466	4.2
93.07038	3.6
95.04976	0.4
95.08600	3.1
96.08132	0.4
97.06509	1.3
97.10149	13.6
98.98447	100.0
100.98878	0.6
101.09622	0.4
105.07012	4.1
107.04937	1.1
107.08572	17.1
109.06487	0.9
109.10133	1.0
111.08075	0.8
113.40205	0.4
116.99483	3.8
117.07025	1.2
119.08558	2.8
121.06490	0.5
121.10127	1.5
123.08044	0.5
123.11632	0.4
125.09602	12.2
131.08527	1.1
133.10109	3.0
135.08025	1.2
135.11670	1.3
139.11192	0.3
140.01047	1.1
143.10655	0.7
145.10062	1.9
147.11681	1.7
149.09572	4.3
151.11166	0.8
153.09096	0.8
156.97200	0.4
158.12851	0.3
159.11693	1.2
161.09616	0.5
161.13193	1.7
163.11118	1.2
165.09094	0.4
171.10152	1.1
173.13272	0.5
174.99197	11.3
175.00694	0.6
175.99530	0.7
176.98857	4.8
179.10280	0.4
179.14259	1.6
181.12146	0.8
183.11658	0.5
187.11221	0.7
189.11186	19.4
205.12093	0.4
220.16962	1.3
222.18437	0.8
238.17978	1.7
239.18050	1.4
240.19554	1.0
241.14433	0.4
244.18109	0.5
250.99980	1.3
252.99713	2.3
256.18973	0.5
257.18927	3.2
275.20007	24.4
276.20432	0.8
293.20969	4.1
327.57599	1.3
327.91068	1.7
328.25284	1.7
328.58173	0.5
328.69839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.8
55.03799	0.7
56.05019	1.5
57.03441	3.7
60.04499	0.9
61.02915	1.3
69.03396	3.2
69.07049	0.8
70.02949	7.3
70.06583	23.5
70.45850	2.2
71.01317	1.0
72.08146	5.1
73.02901	1.7
74.06039	1.1
83.06053	1.4
84.04499	4.5
84.08130	12.3
85.02895	4.3
86.09689	6.4
87.04464	0.9
95.06081	1.2
97.02885	3.7
98.98452	28.3
101.00856	6.1
102.04002	0.7
102.05514	1.0
110.07150	12.0
111.06815	1.0
111.07488	3.8
112.08694	1.9
113.00836	6.1
113.03468	2.5
115.02400	0.9
115.03910	0.8
116.07119	0.7
116.99446	1.0
119.01909	25.8
120.02026	1.1
120.08064	0.7
123.05534	1.0
127.03848	1.0
127.08670	6.0
129.10239	5.4
130.05002	0.8
130.08617	1.2
131.00902	1.3
131.01884	24.2
132.01970	0.8
133.03458	1.4
133.04976	1.0
133.06023	0.6
135.00410	1.1
136.03894	1.3
136.06184	9.3
136.07539	2.4
137.02914	7.0
143.01854	4.9
145.03444	1.5
149.02946	3.1
149.04582	2.3
150.05489	2.6
151.08678	0.7
152.07085	0.7
152.57892	0.9
153.01372	1.3
155.01884	7.5
155.08142	4.8
156.07680	1.7
156.97459	1.0
157.03461	9.1
161.02940	11.7
162.03078	0.7
163.03911	1.6
166.07228	31.9
167.01881	2.7
167.05580	4.0
170.02957	0.8
171.02495	19.3
172.02641	1.1
172.70679	0.6
173.02931	19.8
173.04297	1.4
173.09242	1.2
174.03123	1.0
174.99300	4.0
175.04518	5.7
178.13382	0.9
179.04298	1.2
182.02979	1.9
185.02931	14.9
186.03183	1.2
189.03545	100.0
190.03674	5.7
191.03987	2.9
195.02487	4.7
196.04529	0.6
197.10220	0.7
200.04112	0.7
203.04012	2.1
207.02518	4.0
209.04080	0.8
212.05168	0.7
213.03539	54.4
214.03786	3.2
214.05539	0.8
215.03873	5.1
215.07372	0.8
219.02068	1.2
221.05006	1.0
224.15833	1.4
225.03534	29.3
226.03647	1.7
227.05063	5.5
231.04597	50.1
232.04677	3.2
233.05051	20.3
234.05101	1.3
236.05125	2.0
237.03540	5.6
243.04591	10.8
248.04977	0.7
249.03586	2.4
251.00063	0.9
252.15353	1.1
254.06230	1.5
255.01999	1.5
255.04550	10.3
262.03201	1.3
263.02759	1.1
267.04556	3.6
270.97134	0.7
284.99850	1.3
285.05582	3.2
303.00925	2.6
303.06796	3.1
304.17917	1.0
317.63681	1.3
321.75800	0.8
327.06705	75.5
327.18512	1.5
328.06775	5.0
328.12537	1.0
345.01828	1.0
345.07666	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
55.05502	7.0
56.05017	3.0
57.03430	0.5
57.05795	0.7
58.06588	0.8
60.04514	3.3
60.05635	1.4
67.05483	0.6
69.03423	0.6
69.07063	2.4
69.71561	3.0
70.06581	76.5
71.06291	0.6
71.06918	6.2
72.08143	71.4
73.08482	1.3
74.06068	3.6
76.41720	0.5
79.05476	0.6
81.07047	0.6
82.06586	0.6
82.93311	0.4
83.06085	1.0
84.04488	5.7
84.08133	10.9
85.02892	1.0
85.08488	0.8
86.09692	89.4
87.10027	2.1
88.03979	1.3
89.03888	0.8
89.06026	1.1
90.05546	1.1
91.05463	1.2
93.07032	1.1
95.06087	0.8
95.08584	0.8
98.98450	100.0
99.05553	0.6
100.98839	0.5
101.07142	1.0
102.05528	1.4
102.84881	0.4
103.03943	0.6
103.05450	0.9
107.04955	0.8
110.07140	7.4
112.07618	0.5
112.08698	1.7
115.08665	1.6
116.07074	92.0
116.99474	3.5
117.03365	3.6
117.07395	1.5
118.06551	0.5
119.04942	0.5
119.08600	0.5
120.08072	8.7
122.07128	0.9
124.07618	0.5
127.08668	1.1
128.08684	0.5
129.10205	4.8
130.04985	2.9
130.06554	0.7
130.08621	0.8
130.10564	0.6
132.10175	0.5
133.08607	0.8
136.07561	2.3
136.08423	0.5
137.05949	1.5
140.01106	0.6
141.10204	3.1
142.08586	0.8
142.10550	0.8
145.02827	8.3
147.11266	0.7
149.05966	1.6
151.03909	2.2
152.04225	3.3
152.05272	0.5
152.06973	0.6
156.07654	0.7
157.09637	0.6
157.13342	0.8
158.09256	0.8
159.09282	0.5
163.03877	0.8
167.09265	0.8
169.09714	1.6
169.13263	0.7
171.14819	0.6
174.99207	11.6
175.07465	0.7
175.11896	2.2
175.99579	0.7
176.12195	0.6
176.98898	5.2
177.05446	17.5
178.05867	1.5
182.08078	0.8
183.11299	0.8
183.14917	1.8
184.15231	0.5
185.16461	34.5
186.16895	0.7
187.10843	1.1
187.14333	3.0
195.08694	1.5
195.11343	1.3
197.09332	0.6
197.12924	0.7
200.12636	0.9
201.12306	6.3
208.16916	0.6
211.14362	0.9
212.14394	0.5
213.15948	21.8
215.10344	1.3
215.13876	7.7
229.11844	4.3
229.15382	2.7
239.00082	0.6
239.07529	0.6
239.13707	0.6
243.13324	1.4
250.99960	1.4
252.99646	2.0
256.14746	0.6
273.17331	0.6
291.69220	2.0
292.19562	4.2
292.69592	1.0
305.76450	0.5
311.12946	0.7
327.70663	2.2
328.12286	0.5
328.22568	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	325.1388
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.92763	0.2
55.01852	0.6
55.05483	0.3
56.05015	1.2
56.54973	0.2
57.03413	1.0
60.04523	1.4
60.05643	0.3
60.75954	0.2
61.01139	0.6
61.02927	0.5
63.90371	0.2
69.03420	1.8
69.07054	0.3
70.06580	5.8
70.73263	0.6
70.73615	0.5
71.04981	0.3
72.08144	1.5
73.02910	0.4
74.05075	0.3
74.06060	0.7
81.03382	0.7
83.06092	0.5
84.04488	3.1
84.08128	5.6
85.02891	5.3
85.08480	0.4
86.09701	2.1
87.04445	0.2
87.10053	0.3
88.03973	0.4
89.03893	0.4
91.05457	0.9
93.04527	0.3
95.06039	0.3
97.02869	1.7
99.04441	0.4
101.02329	0.3
102.05521	0.5
106.05019	0.3
110.07151	4.5
111.07480	0.3
111.09180	0.3
112.08714	0.7
115.08601	0.4
116.07129	0.3
117.03336	0.4
117.05703	0.4
118.06528	3.7
119.01891	0.8
120.08037	0.3
121.01637	0.3
125.07126	0.4
127.03910	2.2
129.10228	2.2
130.04950	0.4
130.17767	0.3
133.07588	3.8
135.04393	0.7
136.03946	0.3
136.06152	0.4
136.07555	1.5
144.06688	0.3
144.80415	0.2
145.07584	100.0
146.08359	1.9
147.09172	0.4
147.11278	0.3
150.05469	0.4
152.05664	2.2
156.07726	0.4
163.03928	2.5
163.08636	62.3
164.04161	0.3
164.09001	0.9
177.00807	0.3
210.04651	0.3
217.07370	0.3
220.02019	0.4
223.10609	0.8
232.06883	0.3
234.04816	0.3
234.58513	0.9
243.58798	0.3
245.04987	0.7
246.05023	0.4
251.14859	0.3
252.05742	0.3
252.97906	0.3
261.03040	0.8
262.19147	0.4
278.02493	0.3
285.13031	0.3
290.18533	0.4
301.01019	0.5
302.02637	0.3
305.10501	0.3
306.10995	0.7
306.98950	0.3
307.21204	0.8
308.19495	0.4
312.32697	0.3
324.12549	0.3
325.13876	92.9
326.14154	2.1
326.18079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22007	0.3
58.50674	0.3
69.95506	2.1
82.47215	0.3
88.10834	0.3
98.98454	13.8
101.00864	0.7
106.15149	0.3
119.01904	4.7
122.94487	0.4
125.06616	0.3
137.02910	1.3
174.99193	2.3
176.99385	0.7
177.00932	10.9
178.01010	2.4
179.00642	0.5
182.99875	0.7
195.01915	0.4
195.67589	0.4
201.00851	0.8
217.04089	2.6
217.99010	1.1
218.03764	0.4
219.01976	19.0
220.02098	4.1
221.01816	1.0
223.31400	0.3
225.00777	2.2
226.01024	0.6
235.00035	0.8
236.00067	5.1
236.99763	2.1
241.99030	0.9
242.99405	0.7
243.01947	7.8
243.04286	0.6
254.01096	1.8
255.00722	0.5
258.99924	0.9
260.00079	10.7
261.00076	4.3
261.03030	100.0
262.03177	10.7
263.03094	1.2
265.99063	1.2
266.98834	0.5
277.00949	1.2
277.98187	0.7
278.01129	10.7
278.04166	0.5
279.00803	4.9
280.01617	0.5
282.99951	1.3
284.00089	24.9
284.04568	4.0
284.99811	8.9
297.52203	0.4
301.01077	3.7
302.01132	51.1
303.00873	20.3
303.04340	2.8
304.01337	0.4
320.02191	3.5
321.01846	1.6
325.02679	1.2
326.00937	2.1
327.00922	1.0
344.02191	15.3
345.01898	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	324.2165
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03945	0.3
55.01860	0.7
55.05506	1.6
56.05022	0.6
57.07070	0.8
67.05496	3.8
69.06709	0.6
69.07060	9.0
70.06575	1.6
70.89087	0.5
70.89427	1.0
71.04971	0.4
74.02424	0.3
79.05476	4.2
81.07046	7.9
83.04974	3.7
84.08120	0.7
86.09694	100.0
87.10030	1.6
91.05470	9.4
93.07031	12.7
95.04945	2.4
95.08598	2.4
97.06486	0.6
105.07015	13.0
107.08544	3.1
108.08095	0.5
109.06500	9.9
109.10152	1.2
111.08073	3.6
116.52795	0.3
117.07024	1.0
119.08556	4.3
121.06536	0.4
121.10116	0.9
123.08064	1.3
123.11666	0.7
128.10686	4.3
129.06996	0.8
131.08563	3.3
132.10188	30.5
133.06477	1.3
133.10107	18.4
134.10483	0.7
135.08035	0.4
145.10170	0.6
147.08008	0.7
147.11668	12.0
149.09612	1.6
149.13228	0.7
151.07547	3.2
151.11163	40.8
152.11516	1.6
156.10210	1.5
157.10161	0.6
165.12689	1.9
167.14363	0.5
175.11182	3.5
176.11464	0.4
192.13852	0.4
193.12196	4.9
204.13860	0.5
210.14871	0.9
220.16876	0.6
222.14810	0.7
230.16504	0.5
238.18022	1.2
240.19600	0.7
245.53003	0.4
260.20071	6.0
278.21118	27.0
279.21381	1.4
306.20624	7.9
316.18231	0.5
324.18573	0.8
324.21649	21.8
325.18802	1.1
325.22269	0.9
327.25058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.139
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03923	0.8
55.01857	1.1
55.05505	3.4
56.05029	3.8
57.03430	4.8
59.05003	0.5
60.04518	2.3
60.05642	0.9
61.01136	1.3
61.02919	2.9
65.03928	1.4
67.05505	2.0
68.05049	0.5
69.03422	9.5
69.07064	3.0
70.02950	0.7
70.06582	50.0
70.31042	0.9
70.31437	1.2
70.85538	0.4
71.01344	1.6
71.04987	3.4
71.06905	2.5
72.08143	24.5
73.02911	2.0
73.08461	0.7
73.68616	0.3
74.06064	4.6
75.04465	1.5
75.05589	0.6
76.02227	0.6
76.03974	0.6
79.05473	1.9
81.03414	1.0
81.07043	2.7
82.06570	0.5
83.01326	1.1
83.04949	0.4
83.06102	0.7
84.04494	9.2
84.08130	21.3
85.01147	0.4
85.02890	5.8
85.08467	0.9
86.06023	0.5
86.09694	20.5
87.04456	1.1
87.05588	1.1
87.10020	1.1
88.03974	1.9
89.03891	1.0
91.05467	66.0
92.05806	1.3
93.07028	1.8
95.04946	1.5
95.06071	1.1
95.08577	1.6
96.04482	0.5
97.02878	1.1
97.06525	0.9
97.07640	0.5
98.02444	0.4
98.06039	1.5
99.04434	3.0
99.09161	0.5
101.02363	0.7
101.10767	0.8
102.05539	2.9
103.05454	1.9
104.05312	1.1
105.03370	0.4
105.07021	1.9
107.04964	1.2
107.08578	1.2
109.02853	0.8
109.06486	1.4
109.10165	1.7
110.07149	6.5
110.09738	0.5
111.00712	0.5
112.07582	0.5
112.08702	2.9
113.07123	0.6
115.03894	2.0
115.08667	2.0
116.05006	0.4
116.07079	4.5
117.03364	0.6
117.05498	0.4
118.03684	0.4
118.06506	1.0
119.04932	2.1
119.08550	2.2
120.02055	1.0
120.08083	13.8
121.06492	0.7
121.08399	1.5
121.10166	0.8
122.09671	0.5
123.04414	1.8
123.08071	1.0
125.07102	1.1
126.05500	0.6
127.03896	1.3
127.08688	0.7
129.01779	0.5
129.10223	27.5
130.04971	1.7
130.06512	0.5
130.08617	0.8
130.10564	1.1
130.29329	0.4
131.04892	0.9
132.06804	1.1
132.08000	0.4
132.10201	1.1
133.05043	0.4
133.06363	0.6
133.10121	1.2
135.04393	1.6
135.08037	0.6
136.07564	4.8
137.02330	4.9
137.05945	2.6
137.09560	1.0
138.09154	0.5
139.08662	0.4
143.03371	2.0
143.11743	1.6
144.08061	0.6
145.02835	1.1
145.05009	0.8
145.06519	0.6
145.07576	7.2
145.10132	0.7
146.03143	0.5
146.08321	0.7
147.04408	1.8
147.09148	88.3
148.05983	0.6
148.09485	1.2
149.02324	0.4
149.05969	0.4
150.05539	0.5
151.07445	0.4
152.14322	0.5
153.10165	0.8
155.08147	0.9
155.11783	0.5
156.07672	1.6
157.07811	0.5
157.09703	2.3
158.09315	0.5
159.04364	0.5
159.09154	3.4
160.09892	0.7
161.09550	1.3
163.03847	5.5
163.06018	0.5
163.07475	0.7
165.09117	0.6
166.08623	0.8
169.09718	0.4
171.11287	1.1
173.07083	0.9
173.10637	0.7
175.03880	2.1
175.07498	1.2
175.08795	0.5
175.11877	0.6
177.03221	0.5
177.05408	1.3
178.05782	1.9
179.10695	0.7
181.06424	0.7
181.09676	0.7
183.11342	0.5
183.14922	1.3
185.10722	0.9
187.03873	0.9
187.07439	0.8
190.09718	1.0
191.08130	92.2
192.08470	1.5
193.04842	0.5
193.12160	0.6
195.11311	0.9
196.11421	0.5
197.12794	0.8
199.10728	0.7
201.05460	0.9
201.12338	0.8
203.03395	0.6
205.06425	1.2
207.06503	3.7
209.04395	1.3
209.06079	0.8
211.14478	0.5
215.03281	1.5
219.11418	0.6
220.16956	0.5
222.06577	0.6
226.11908	0.7
226.15489	1.7
233.06047	0.9
234.98964	0.6
237.05428	2.0
238.17979	1.5
240.13391	0.4
244.13171	0.5
245.09163	0.6
246.55667	0.4
250.06180	0.9
255.06392	0.6
256.18964	0.7
261.05380	0.5
263.14044	2.2
265.04962	2.5
265.08466	0.8
279.06500	1.5
281.14914	41.3
282.15317	1.0
283.05951	3.2
289.11761	0.9
293.08002	0.8
294.18097	2.1
297.07516	0.5
306.69208	0.6
307.06027	1.0
307.09698	0.7
307.12854	7.7
308.16284	0.6
308.19724	0.5
315.68335	1.0
316.18472	1.5
324.69962	1.0
325.07071	7.2
325.13861	100.0
326.06354	1.7
326.14236	2.5
327.20163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85086	0.7
58.72515	0.7
69.03419	1.3
69.86379	4.1
70.06572	1.9
72.08115	1.6
84.04517	1.0
84.08126	1.4
85.02895	2.7
92.56437	0.6
94.11176	0.7
97.02874	1.4
104.77422	0.7
109.31470	0.6
117.53056	0.7
120.08051	0.8
127.03906	1.3
136.07561	1.4
136.17966	0.7
145.04958	1.2
145.07652	4.7
150.05577	0.8
153.05731	2.2
153.55814	0.8
163.08618	2.7
173.02966	1.0
178.02672	0.7
185.03047	0.8
186.44872	0.7
222.37698	0.6
250.66927	0.7
297.19312	0.8
305.10706	2.1
307.06863	2.9
324.09518	100.0
325.04196	0.8
325.09616	5.2
325.13852	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
57.03414	1.0
60.04513	1.3
61.02919	4.2
66.92325	0.8
69.03427	4.7
69.57011	2.4
69.57421	5.6
70.06590	4.1
72.08141	2.6
84.04490	3.3
84.08136	3.9
85.02895	15.3
86.09676	1.9
87.46201	0.7
87.99603	0.7
88.94906	1.0
95.01299	1.1
97.02895	5.4
98.20737	1.5
99.04436	1.4
101.02354	1.2
102.05547	1.3
104.05339	0.9
109.02845	0.9
110.07136	2.4
112.05105	1.7
116.07108	1.1
120.08117	1.7
127.03906	9.1
129.10193	2.0
131.87294	0.8
135.04282	0.8
136.07596	1.2
145.04947	4.6
145.07608	1.5
153.05807	1.4
161.02925	1.2
163.03914	3.5
163.06094	1.2
178.02631	0.9
196.03642	1.0
221.04979	0.9
225.36002	0.9
305.10818	2.4
307.06863	4.2
324.09534	100.0
325.09784	4.1
325.13724	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	324.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.5
55.05498	1.3
56.05026	4.6
57.03440	0.7
58.06590	1.2
59.04964	0.6
60.04517	6.7
61.48128	0.5
64.52274	0.3
65.03935	0.4
65.52431	0.4
67.05495	3.4
68.04991	0.4
69.03409	0.7
69.04529	1.2
69.07046	1.2
70.02911	0.9
70.06195	0.7
70.06582	15.3
71.03316	1.0
71.04981	2.8
71.06915	0.5
72.08147	5.6
74.06070	13.2
76.02197	0.5
79.05482	0.5
81.07025	1.0
83.06109	2.0
83.08614	0.4
84.04491	7.1
84.08132	9.4
85.02876	1.7
85.06509	0.9
85.08433	0.4
86.06058	5.0
86.09696	5.7
87.05592	2.5
88.03972	2.0
89.03899	0.6
91.05456	4.8
93.07040	1.2
94.06534	0.5
96.04485	2.7
97.02904	1.0
98.06062	0.7
99.08044	0.5
101.07129	0.8
102.05528	4.5
103.05435	1.8
104.05285	0.5
105.07023	0.5
106.05054	0.4
107.04929	0.4
109.10138	3.9
110.07141	3.8
112.05097	0.5
112.08722	0.9
113.07101	5.1
115.08676	0.5
116.07034	1.0
117.03374	0.6
119.04947	1.6
120.06587	6.6
120.08086	100.0
121.08424	2.7
122.07105	0.5
127.03892	0.9
127.07555	2.0
127.08516	0.4
127.11169	1.0
129.10207	4.6
130.04967	2.7
130.08650	0.8
131.04904	0.5
131.08138	7.7
132.08058	1.0
133.06052	0.4
135.04390	1.3
136.07556	6.6
137.02345	0.8
141.06583	0.8
144.06490	1.0
144.08040	2.4
145.02809	1.4
145.04898	0.5
145.08606	1.0
145.12210	3.0
146.09647	0.5
147.04388	0.8
148.06021	1.2
149.05968	0.8
150.05496	1.8
156.07709	0.6
158.09508	0.5
159.07643	8.3
162.05482	4.4
162.07626	1.7
162.09148	2.7
163.03897	6.3
163.13300	2.4
166.08623	14.6
167.09120	0.4
173.12851	0.5
175.11903	0.5
176.10652	0.9
177.05479	1.6
177.10210	26.9
178.10590	0.9
187.07135	1.4
195.11249	0.9
205.09700	5.8
207.11258	13.6
218.05211	0.5
221.12833	3.3
223.10710	0.6
225.09901	0.4
235.10713	3.2
237.12267	0.9
240.13315	0.5
249.12334	3.7
252.97894	0.6
253.11848	1.8
278.05142	0.4
289.12140	0.5
306.14456	10.7
314.66928	0.4
324.05695	0.9
324.19260	0.5
325.06824	0.6
325.13504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2736
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03936	0.5
55.01853	0.4
55.05502	3.2
57.07071	0.9
57.38503	0.4
60.04515	0.9
62.06079	100.0
62.10780	0.3
63.06393	0.6
64.53412	0.4
64.74387	0.4
65.03935	0.6
67.05492	13.8
69.03443	0.3
69.07059	3.9
69.42880	0.3
69.78503	0.6
69.78912	2.3
70.02940	0.5
70.06599	0.6
79.05479	9.1
81.06568	0.9
81.07040	14.4
83.08589	1.6
83.97971	0.5
88.35910	0.4
91.05482	3.2
93.06454	0.7
93.07030	10.5
93.07621	0.6
95.04982	0.7
95.08588	11.5
97.06527	0.7
98.06058	0.7
98.20782	0.8
99.04446	0.4
99.60159	0.5
105.07017	2.4
105.45685	0.4
107.08579	5.2
108.08138	0.5
109.10143	4.9
114.37448	0.4
117.07003	1.0
119.08564	2.7
121.10119	4.1
123.11707	1.7
130.08694	0.5
131.08565	2.0
133.10101	1.5
135.11659	2.7
137.13258	1.2
144.10199	0.6
145.10103	1.4
147.11658	1.4
147.62379	0.4
149.13223	2.0
159.11679	1.0
161.13303	0.9
163.14830	1.7
165.83623	0.3
172.13252	0.6
173.13214	1.5
177.16373	1.1
186.14879	0.8
187.14780	0.8
198.14920	0.5
200.16472	1.0
220.16983	0.8
238.17967	1.0
240.19618	1.4
243.21030	2.0
244.18085	0.8
244.68115	0.5
261.22128	3.7
304.26151	2.5
305.24594	2.1
321.57245	0.5
321.90799	1.1
322.24185	0.9
322.27365	12.8
322.57761	0.6
323.27698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	45.8
57.07071	78.5
67.05489	27.6
69.07059	100.0
69.48569	49.5
71.08624	52.3
79.05480	10.3
79.28902	5.5
81.07047	64.5
83.08607	67.7
84.08987	5.2
85.06506	10.9
85.10180	32.9
85.10588	5.2
91.05473	13.1
93.07045	22.7
95.08598	60.2
97.06544	13.2
97.10175	44.3
98.23315	5.6
98.79135	5.6
99.11761	5.6
105.07022	21.7
107.08608	26.8
109.06548	6.4
109.10130	41.3
111.11700	33.5
115.07547	6.9
119.08567	16.7
121.10130	20.9
123.08063	10.3
123.11675	24.9
125.13225	13.8
127.07525	9.1
129.09084	6.8
133.10132	25.9
135.11678	14.6
137.09616	8.4
137.13237	9.3
139.14835	10.1
141.09076	6.7
147.11676	17.9
149.13274	7.6
151.11156	11.9
161.13261	23.6
165.12735	18.1
168.35825	5.5
175.14734	8.6
179.14272	19.4
183.13777	15.3
197.15305	8.6
231.20966	7.0
240.19670	8.9
263.27289	11.4
287.27264	16.0
305.28409	10.9
323.24689	6.6
324.28830	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	322.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.31247	0.4
54.93492	0.4
55.01867	0.6
55.05495	0.5
55.82849	0.4
56.05039	0.7
57.03434	1.6
60.04527	0.5
60.05656	0.5
61.02915	3.3
69.03420	6.2
70.06581	6.9
70.21819	2.0
70.99567	7.9
71.04996	0.8
71.06920	0.4
72.08149	2.1
73.02914	1.2
74.06069	0.6
76.02217	1.5
77.98048	0.4
79.80978	0.4
81.03410	3.2
84.04490	2.9
84.08139	1.8
85.02892	18.4
86.09709	1.2
87.04477	0.7
88.04003	0.5
88.24840	0.4
90.05550	1.0
91.03952	1.3
97.02875	5.8
98.00626	20.9
98.21464	0.5
99.04413	0.9
101.07110	0.5
102.05560	0.6
109.02884	1.6
110.07175	0.9
116.01667	13.6
116.07076	0.7
120.08074	2.0
124.02164	17.8
127.03883	3.9
129.10251	1.1
130.04994	1.6
135.04405	0.5
142.03201	80.4
143.03564	1.9
144.01108	0.4
145.02756	0.4
145.04933	4.2
147.04364	0.5
147.07632	0.6
155.08176	0.6
160.04254	100.0
161.04675	2.3
163.03862	1.3
169.09706	0.4
175.11859	1.2
176.03706	0.4
193.06375	1.1
230.11372	0.4
233.05948	0.4
242.65169	0.4
252.97928	1.1
286.12491	0.5
311.88159	0.4
322.09464	4.2
322.13116	0.6
322.15024	0.6
322.18381	2.5
323.05350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1064
Annotation	gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Peak:m/z	Relative Intensity
52.97597	0.6
56.05030	2.7
57.98800	1.0
58.99289	1.0
58.99580	18.1
60.04511	0.5
60.05648	0.5
61.01145	0.9
65.87550	0.5
67.05515	0.6
70.06596	4.8
70.18794	2.7
72.08148	0.7
74.06062	1.0
76.02221	100.0
76.91972	0.5
77.02563	0.8
80.05003	1.2
82.57086	0.5
83.06107	1.5
84.04496	41.7
84.08128	1.5
85.02898	1.8
85.04830	1.0
86.99034	4.7
87.06438	0.6
88.02215	2.6
89.45374	0.5
90.05547	36.5
91.29662	0.5
97.15831	0.6
98.20676	0.6
102.05544	1.5
112.08756	0.7
114.03744	1.4
116.01666	29.6
120.08086	1.1
124.02140	0.6
125.67323	0.6
127.38599	0.7
130.03287	1.1
130.04988	13.7
130.05959	0.9
131.05402	0.6
141.04785	1.2
142.03207	10.4
143.05260	1.2
144.01140	21.4
145.01514	0.6
158.02750	0.9
160.07887	3.4
161.03812	1.0
163.03876	0.6
170.02696	2.6
173.09177	0.8
176.02466	0.6
176.03758	31.6
187.05307	3.2
193.06407	56.6
194.06819	0.7
205.06387	0.8
215.04779	3.9
216.03307	0.6
219.64064	0.6
227.04753	0.7
233.05893	22.2
239.49979	0.7
248.12625	0.6
259.07513	2.5
305.08014	1.8
322.10257	7.7
322.13977	1.1
322.18619	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	321.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.50598	0.4
54.69346	0.4
54.76309	0.6
55.80463	0.5
56.41529	0.4
58.57614	0.4
58.90258	0.5
62.19654	0.6
66.92155	0.5
67.05488	7.5
69.57680	0.5
69.96333	2.4
70.06570	1.9
79.05471	0.8
84.08122	0.9
86.09683	1.3
91.05450	0.8
93.07007	1.1
94.06551	8.3
95.04917	0.8
98.20804	0.7
108.08071	0.6
109.10132	0.5
120.08088	0.6
122.06004	30.2
123.04428	0.7
123.06368	0.7
126.05432	0.6
129.10223	0.5
136.07552	56.8
137.07909	1.2
140.07054	1.4
164.07030	100.0
165.07414	2.4
182.08093	78.9
183.08426	2.3
220.16937	0.7
230.11745	0.8
238.17921	1.1
240.19458	0.6
286.10623	0.5
304.11603	0.9
321.70923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13962	0.1
63.36152	0.1
65.80235	0.1
69.57994	0.6
76.21018	0.1
80.10142	0.1
98.97525	0.1
101.00839	0.2
108.76463	0.1
113.03510	0.1
116.98578	0.1
119.01913	1.4
121.01612	0.1
122.97022	0.1
122.97845	0.4
134.99844	0.2
137.02896	0.7
140.98781	0.2
142.03479	0.1
158.99858	0.4
177.00916	10.0
178.00980	0.7
182.99767	1.7
195.02019	0.2
200.02531	0.2
201.00880	4.2
202.00999	0.2
202.93439	0.2
214.95506	0.1
218.03485	0.1
219.01959	100.0
220.02072	7.8
221.02312	0.7
224.02432	0.1
233.03563	0.2
237.03107	0.4
238.95485	0.7
242.03555	5.7
243.03722	0.7
247.96043	0.1
256.96558	8.0
257.96515	0.7
258.96686	0.2
260.00357	0.1
261.03018	0.4
261.97205	0.1
262.95346	0.5
272.16388	0.1
274.94974	0.1
274.97607	3.1
275.97791	0.2
276.04700	0.5
277.00986	0.2
277.95663	0.1
278.01053	0.1
279.98209	1.2
280.96469	1.5
290.95834	0.1
297.99438	0.3
298.18652	0.2
298.97620	38.4
299.18655	0.2
299.97702	2.6
300.97888	0.2
301.00818	0.1
303.98334	0.3
309.96088	0.2
310.07867	0.1
310.45975	0.3
310.96133	0.2
312.99374	0.2
316.19894	0.2
316.93066	0.3
316.98621	0.6
317.43719	0.2
317.93130	0.2
319.43472	0.2
319.46948	0.1
319.93655	0.2
319.96902	0.2
320.46533	0.1
321.99219	6.4
322.99295	0.5
325.94238	0.2
328.44113	0.6
328.94363	0.5
329.44177	0.4
339.95044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66592	1.0
58.99843	2.7
70.06586	6.0
71.73906	1.9
72.08144	1.7
77.00870	1.8
82.99821	3.7
84.08114	6.0
85.02883	1.5
86.09667	2.8
91.02412	1.9
97.02842	1.6
101.00861	26.8
101.71049	1.0
103.02421	2.2
110.07113	1.8
113.00811	7.4
113.03432	1.4
115.02426	12.7
117.03947	3.2
119.01904	100.0
120.01960	2.6
127.02354	1.8
129.03932	3.0
129.10165	3.7
131.01891	29.9
133.03452	36.8
134.03477	1.2
135.05003	7.2
136.06175	1.1
136.07565	2.0
137.00774	1.5
137.02922	19.9
142.03476	2.0
143.01878	12.5
144.99782	3.1
145.03439	14.6
147.01323	2.6
147.04979	3.7
149.02916	5.0
151.04514	8.3
155.01845	18.5
156.02663	2.2
157.03421	7.5
159.05011	22.7
161.01703	1.9
161.02939	30.5
163.04546	4.9
168.99786	12.4
171.01315	4.2
171.05016	23.6
173.02927	28.5
173.06483	4.9
175.04446	3.7
177.02426	3.1
177.06064	9.5
183.05072	1.7
184.04393	1.3
185.02898	4.0
185.06496	2.0
187.00847	31.7
187.04454	2.3
189.02449	14.7
189.06061	17.5
191.04007	17.9
191.07684	1.4
196.99245	6.3
197.02933	1.4
201.02420	4.0
201.06012	8.3
203.03995	8.5
203.07547	2.2
205.01878	11.8
207.03297	1.6
213.06007	4.2
215.00348	34.4
216.00519	1.6
217.01807	1.9
219.03568	5.0
219.07037	8.3
221.05035	38.1
222.05043	1.2
223.02643	2.6
223.08524	1.2
229.01904	15.3
231.03386	2.5
231.07010	3.2
233.01353	4.4
233.05035	18.9
239.06061	1.4
243.07031	2.9
245.04936	4.4
247.02968	68.9
248.03050	1.5
249.04469	4.4
251.06038	1.9
261.04550	2.2
261.08173	39.3
265.03967	11.2
270.04553	2.0
273.08005	1.2
279.05722	3.1
279.09192	65.2
289.03979	13.1
302.10800	1.3
307.04916	1.9
321.06470	11.3
321.10059	90.6
322.10132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80603	2.5
64.16783	2.5
69.58318	2.5
70.06591	3.6
70.41455	12.4
74.06091	3.6
79.88672	2.6
85.02893	3.0
101.00892	3.4
119.01929	18.5
131.01877	4.8
133.03444	6.6
137.02922	6.5
141.06561	4.2
145.03395	3.4
148.48773	2.9
151.04538	3.2
161.02980	3.4
171.05110	3.4
173.02946	5.5
187.00873	5.5
201.02589	3.0
215.00340	7.1
219.03549	7.4
221.04887	3.4
234.59999	3.5
247.03026	10.7
251.05447	3.0
279.09351	3.9
311.85110	3.0
321.09323	100.0
321.11774	74.8
321.17255	4.9
322.05453	10.3
322.09631	4.4
328.67383	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.05029	38.7
60.04506	2.2
60.05640	1.2
61.01143	30.2
68.60607	0.7
69.03419	1.0
69.07047	1.0
70.06584	28.6
70.17201	3.3
71.06920	0.7
72.08149	14.3
73.08453	3.4
74.06085	4.9
74.13036	0.8
76.02210	1.7
79.00443	0.6
81.03421	1.1
84.04494	58.0
84.08125	8.8
85.02892	2.8
85.04813	1.3
85.06523	0.7
86.09698	9.8
88.03986	1.0
90.05530	2.8
91.05478	1.8
93.24776	0.6
95.08576	0.7
98.06047	16.5
98.21412	1.1
101.07101	0.7
102.05531	22.5
104.05318	67.0
105.05644	1.2
110.07152	8.2
112.07588	0.6
112.08727	1.8
115.08685	1.0
116.07069	2.2
120.08098	2.5
122.07187	1.2
127.03877	1.1
127.08598	0.8
129.10251	3.7
130.04985	31.3
131.87566	0.7
133.03145	0.8
134.03503	0.7
134.06044	1.2
136.07550	3.6
138.05440	0.7
139.05017	0.9
140.08179	0.8
143.11760	5.4
144.12167	3.6
146.06332	37.9
147.04387	3.2
147.07744	0.8
148.06033	100.0
149.06398	1.4
150.05785	1.6
152.07076	1.5
154.08517	0.7
156.07693	2.0
164.07071	0.9
167.09238	1.0
171.11267	2.4
172.11595	2.8
173.12909	0.9
174.04355	1.1
174.05835	17.6
175.08612	0.8
175.11932	1.2
187.14430	1.6
190.11029	1.0
195.08772	1.2
203.03380	1.4
207.02304	4.1
214.10959	1.3
215.03525	1.1
215.11844	2.5
221.09192	1.0
223.01671	3.4
229.13345	2.7
237.13528	0.9
239.12010	1.0
241.03665	0.8
243.11192	3.5
249.03381	5.5
255.14381	0.7
257.12912	2.1
261.03961	1.0
275.01147	0.7
275.13864	1.9
285.12280	2.3
303.13364	12.9
321.14371	16.9
322.13821	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	319.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36308	0.4
55.05505	0.6
64.06140	0.4
65.03925	0.5
67.05484	1.4
69.52097	3.6
70.06580	1.2
75.04479	1.0
79.05456	0.5
81.07038	0.7
84.08084	0.6
86.09688	1.0
91.05487	0.8
92.04982	0.8
93.07032	0.9
94.06555	1.3
95.04948	0.6
105.06985	0.7
108.08095	1.7
118.06519	0.7
118.15691	0.5
119.94183	0.5
120.04387	0.5
120.08094	1.0
122.09623	1.4
127.03860	0.5
131.20087	0.5
136.07573	3.0
138.05475	6.1
145.10153	0.6
148.07593	0.7
153.01820	0.4
154.06456	0.8
157.10095	0.5
163.05070	0.5
166.04980	17.6
167.07246	1.1
169.08781	0.6
170.09650	0.5
172.11205	0.6
182.09615	2.2
184.09848	0.7
184.11214	1.3
194.08324	1.0
199.08572	0.6
199.12273	2.7
200.10651	0.7
209.10683	3.4
210.09114	2.6
211.09862	0.6
211.12189	0.5
212.10884	3.2
213.10225	0.9
214.08566	2.0
218.15370	0.5
220.16803	1.1
222.07811	0.8
227.08115	1.2
227.11734	3.9
229.13336	0.6
230.11734	3.9
232.09593	0.9
237.10121	3.2
238.08572	1.3
238.18025	2.7
239.11783	0.8
239.18378	0.5
240.10191	1.0
240.19582	1.0
241.09711	1.1
242.08058	0.7
243.07678	1.5
245.09171	13.2
246.17914	0.8
255.11238	21.1
256.11713	1.1
257.12720	1.0
260.09149	1.7
265.09802	3.0
270.10007	3.2
273.12305	18.0
274.12610	1.1
283.10721	19.4
284.11130	1.4
287.04361	0.7
297.69818	1.4
301.11780	100.0
302.12149	8.2
304.04834	1.3
310.19922	0.6
311.19260	0.5
319.03500	0.6
319.07144	8.0
319.12897	3.8
319.20621	1.6
319.70706	1.1
320.07083	0.8
320.19498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07972	0.5
55.01849	0.6
55.05502	1.4
55.65156	0.5
56.05028	9.8
56.83533	0.5
57.03421	0.5
60.04523	5.9
60.05651	0.4
61.01142	4.7
67.05492	0.9
69.07056	2.1
69.83472	1.7
69.83904	2.1
70.02962	0.7
70.06583	34.7
72.08148	6.8
74.06067	2.1
75.05613	1.0
81.07048	0.5
83.06098	0.5
84.04485	5.3
84.08125	6.1
85.02898	1.2
85.06564	0.5
86.09695	100.0
87.02656	0.6
87.05592	1.1
87.10014	0.9
88.03977	2.1
91.05473	2.0
93.07054	0.7
95.08604	0.6
101.07061	0.6
102.05531	6.5
103.05419	0.7
104.05314	17.4
110.07147	4.4
110.09685	0.7
112.08720	1.1
113.07121	1.7
115.08600	0.6
116.07085	8.7
119.04920	1.1
120.08096	9.9
127.08665	7.4
129.06601	1.4
129.10204	4.0
130.05016	1.3
133.03185	9.5
136.07552	5.5
137.07948	0.7
140.07040	0.5
141.10226	0.9
143.11780	66.0
144.12137	0.9
146.11746	11.7
147.07683	2.3
148.05998	1.0
150.05824	37.8
151.06126	0.6
153.01773	0.6
155.08127	4.6
155.11688	0.8
156.07611	0.7
161.07399	0.6
171.11276	18.6
171.61659	0.5
172.11490	0.5
173.09177	4.0
173.12936	0.9
175.07149	2.0
177.10234	1.5
181.09764	0.5
182.08157	0.8
183.08427	1.1
183.11136	0.5
191.82896	0.5
193.09766	0.9
207.08432	0.9
217.13338	0.7
220.16866	0.6
221.09164	0.9
233.14926	2.2
234.29567	0.6
238.18059	0.9
245.12900	0.6
249.09601	0.6
263.14059	1.6
274.04211	0.7
303.13342	0.7
311.19452	0.5
319.67545	0.6
319.70804	2.9
320.04718	4.2
320.16232	2.5
320.20667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0445
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
55.01857	1.0
55.05491	0.6
56.05019	0.7
57.03432	0.3
58.97076	0.2
60.04517	0.5
60.35543	0.3
61.02906	0.6
65.03923	0.6
67.01865	0.6
67.05490	0.6
68.99776	3.7
69.03406	1.0
69.07053	0.5
69.78851	1.7
70.06582	4.6
70.75033	0.2
71.01360	0.2
71.06911	0.2
72.08150	2.1
73.02885	0.4
74.06057	0.5
79.01821	0.4
79.05478	0.5
81.03400	0.8
81.07030	0.9
82.06592	0.4
83.01321	0.3
84.04486	0.8
84.08147	2.5
85.02892	1.8
85.06523	0.3
85.08475	0.2
86.09695	3.9
87.09980	0.2
91.03930	0.5
91.05482	0.5
93.03356	0.3
93.07036	0.6
94.06567	0.4
95.04942	0.6
96.08095	0.6
97.02876	1.2
97.06519	0.3
103.05369	0.3
105.07011	0.6
107.01311	0.5
107.04945	0.3
107.08568	0.2
108.08101	0.5
109.02879	1.1
109.06517	0.2
110.07145	1.1
111.00784	2.9
111.04430	1.1
113.07133	0.2
119.04868	0.3
119.08556	0.3
120.08092	2.4
121.02826	0.7
121.06456	0.3
121.08492	0.3
122.09656	0.3
122.42830	0.2
123.04422	1.0
125.02342	2.4
126.03131	1.6
127.03909	1.7
129.10201	1.2
130.04935	0.3
130.06509	0.3
130.08630	0.5
131.04921	0.4
133.02841	0.4
135.04398	0.3
136.07564	0.9
137.02325	4.3
139.03874	1.0
147.04367	0.7
149.02357	0.5
149.05971	0.4
151.03885	1.0
152.37332	0.2
153.01813	21.1
159.33861	0.2
161.02429	0.2
161.05943	0.5
163.03896	0.4
165.01819	11.8
166.02557	1.0
167.03366	0.7
169.01303	0.3
171.04372	0.5
175.03903	0.6
176.10678	0.3
177.05463	1.6
178.02496	0.3
179.03369	7.9
183.02859	1.5
183.04289	0.3
189.05443	1.0
191.03432	0.3
193.01289	0.5
193.04945	0.5
195.02878	4.9
195.04614	0.4
199.03922	0.8
201.05412	0.4
203.03386	3.7
204.04100	0.6
207.02867	4.9
216.04124	0.3
217.01482	0.3
217.04912	2.7
219.02798	0.3
220.16940	1.9
221.04425	1.8
227.03351	1.4
229.04988	0.9
231.02908	1.4
232.03629	2.6
233.04428	0.5
235.02367	0.7
238.18022	3.6
239.18340	0.4
240.19556	0.7
244.03452	0.3
244.17842	0.3
245.04448	9.4
249.04018	1.6
255.02882	1.3
259.02496	0.5
259.10693	0.4
259.18478	0.9
263.05429	0.7
273.03900	14.1
277.03378	0.3
283.02322	1.5
290.04190	3.7
301.03378	3.4
301.11786	0.7
302.03772	0.3
310.20123	1.0
318.70023	1.1
319.04449	100.0
319.17078	1.1
319.20624	6.5
319.70807	1.7
320.04764	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	319.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05491	0.6
56.05019	0.7
57.03432	0.3
58.97076	0.2
60.04517	0.5
60.35543	0.3
61.02906	0.6
65.03923	0.6
67.01865	0.6
67.05490	0.6
68.99776	3.7
69.03406	1.0
69.07053	0.5
69.78851	1.7
70.06582	4.6
70.75033	0.2
71.01360	0.2
71.06911	0.2
72.08150	2.1
73.02885	0.4
74.06057	0.5
79.01821	0.4
79.05478	0.5
81.03400	0.8
81.07030	0.9
82.06592	0.4
83.01321	0.3
84.04486	0.8
84.08147	2.5
85.02892	1.8
85.06523	0.3
85.08475	0.2
86.09695	3.9
87.09980	0.2
91.03930	0.5
91.05482	0.5
93.03356	0.3
93.07036	0.6
94.06567	0.4
95.04942	0.6
96.08095	0.6
97.02876	1.2
97.06519	0.3
103.05369	0.3
105.07011	0.6
107.01311	0.5
107.04945	0.3
107.08568	0.2
108.08101	0.5
109.02879	1.1
109.06517	0.2
110.07145	1.1
111.00784	2.9
111.04430	1.1
113.07133	0.2
119.04868	0.3
119.08556	0.3
120.08092	2.4
121.02826	0.7
121.06456	0.3
121.08492	0.3
122.09656	0.3
122.42830	0.2
123.04422	1.0
125.02342	2.4
126.03131	1.6
127.03909	1.7
129.10201	1.2
130.04935	0.3
130.06509	0.3
130.08630	0.5
131.04921	0.4
133.02841	0.4
135.04398	0.3
136.07564	0.9
137.02325	4.3
139.03874	1.0
147.04367	0.7
149.02357	0.5
149.05971	0.4
151.03885	1.0
152.37332	0.2
153.01813	21.1
159.33861	0.2
161.02429	0.2
161.05943	0.5
163.03896	0.4
165.01819	11.8
166.02557	1.0
167.03366	0.7
169.01303	0.3
171.04372	0.5
175.03903	0.6
176.10678	0.3
177.05463	1.6
178.02496	0.3
179.03369	7.9
183.02859	1.5
183.04289	0.3
189.05443	1.0
191.03432	0.3
193.01289	0.5
193.04945	0.5
195.02878	4.9
195.04614	0.4
199.03922	0.8
201.05412	0.4
203.03386	3.7
204.04100	0.6
207.02867	4.9
216.04124	0.3
217.01482	0.3
217.04912	2.7
219.02798	0.3
220.16940	1.9
221.04425	1.8
227.03351	1.4
229.04988	0.9
231.02908	1.4
232.03629	2.6
233.04428	0.5
235.02367	0.7
238.18022	3.6
239.18340	0.4
240.19556	0.7
244.03452	0.3
244.17842	0.3
245.04448	9.4
249.04018	1.6
255.02882	1.3
259.02496	0.5
259.10693	0.4
259.18478	0.9
263.05429	0.7
273.03900	14.1
277.03378	0.3
283.02322	1.5
290.04190	3.7
301.03378	3.4
301.11786	0.7
302.03772	0.3
310.20123	1.0
318.70023	1.1
319.04449	100.0
319.17078	1.1
319.20624	6.5
319.70807	1.7
320.04764	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	318.2018
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05498	3.6
56.05016	1.1
60.04513	22.0
62.16957	0.4
62.74825	0.5
64.69201	0.6
69.07036	0.9
70.02940	1.5
70.06585	6.5
70.29499	2.4
72.08144	62.7
73.08465	0.6
74.06060	1.5
79.08923	0.5
84.04484	1.0
84.08129	4.0
86.09692	31.9
87.05580	15.4
88.03991	0.9
94.06531	1.1
96.08107	2.0
98.09657	0.6
98.51395	0.5
101.07081	0.9
109.10089	0.5
110.07152	1.8
112.08698	0.7
114.08392	1.1
114.09154	17.4
116.07065	0.8
116.98543	0.5
118.08613	1.1
120.08094	4.2
128.10666	0.7
129.10239	2.6
132.10181	6.4
136.07521	0.9
138.05522	2.5
142.12306	0.6
147.11235	0.6
153.01797	0.6
156.06548	1.2
157.01083	1.3
159.11267	100.0
160.11578	1.9
163.03902	0.9
165.01851	0.7
173.12834	14.0
174.13080	0.7
175.11829	0.6
183.07861	0.7
183.72391	0.5
185.02295	0.5
187.10753	40.6
187.14291	4.0
188.11096	0.9
201.12283	6.3
205.11804	1.9
215.13844	1.7
221.03117	0.6
231.17030	1.2
255.06523	0.7
300.19101	0.6
301.11789	0.7
318.20142	1.6
319.04425	2.0
321.18387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73368	0.9
59.14192	0.9
67.59252	0.9
70.06584	1.9
70.97134	3.4
70.98873	1.0
72.08149	5.4
74.06079	1.9
84.04476	2.8
84.08131	12.8
86.09663	1.6
86.93653	0.9
87.53632	1.0
88.03985	1.4
89.03918	1.1
102.60294	1.0
110.07140	1.8
119.01900	1.5
129.10231	10.9
130.08632	1.5
135.04427	4.0
136.07361	0.9
145.02814	2.5
147.04500	1.2
147.07590	1.1
147.11301	1.7
157.01062	26.4
163.03871	16.2
185.00633	2.1
185.02100	19.7
193.03419	1.1
203.01889	3.3
221.02927	100.0
222.03146	4.4
230.14966	3.2
239.03944	22.2
244.04561	2.7
247.04507	24.1
247.06908	1.7
247.86755	1.1
248.04660	1.6
257.02789	2.3
265.05551	1.7
275.03885	8.9
276.04340	1.3
301.01968	4.0
319.03357	20.4
319.07983	7.3
319.13269	1.6
319.19861	3.0
337.03854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68827	0.7
56.05018	1.3
60.04523	1.0
64.57353	0.7
69.03418	1.0
70.06568	2.8
70.38282	0.7
71.67656	1.1
72.08125	3.5
74.06046	3.1
83.06080	0.7
84.04481	2.2
84.08131	13.5
85.02900	0.9
85.08455	0.7
86.09676	1.1
89.03913	1.1
101.07205	1.0
110.07128	2.9
111.00578	0.8
114.42207	0.7
117.03343	1.6
119.01904	2.1
124.82863	0.7
129.10222	13.5
130.08647	0.9
133.06029	1.2
135.04387	4.1
139.05821	0.8
145.02783	1.5
147.11264	2.1
155.01874	0.7
157.01060	32.9
161.02898	1.4
163.02547	1.5
163.03874	18.8
185.02087	25.7
186.12387	1.3
186.81522	0.8
193.03432	1.3
203.01648	4.2
204.13414	1.1
206.40257	0.7
221.02927	100.0
222.03189	4.4
229.03583	1.3
230.14926	2.7
239.03987	26.2
244.04498	1.9
247.04491	24.8
248.04730	1.3
257.02908	2.5
261.06036	0.7
265.05530	2.0
269.81909	0.7
270.05817	0.8
273.02451	1.5
275.03922	9.0
293.05020	1.4
295.03021	1.4
301.01840	4.4
319.03305	22.5
319.07889	9.2
319.16461	1.1
319.17612	0.7
319.19919	4.4
320.03067	1.5
337.04166	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	318.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92618	0.2
55.01866	0.5
55.05495	0.8
55.43007	0.2
56.05027	1.5
56.96531	0.2
57.03420	0.5
57.37766	0.2
58.86750	0.2
60.04530	0.9
61.02924	0.7
69.03424	2.0
69.07038	0.5
69.95286	0.3
69.95689	1.2
70.06581	5.9
71.04973	0.5
71.06905	0.2
72.08148	7.3
72.93731	0.2
73.02927	0.2
73.08490	0.5
74.06088	1.0
74.06435	0.2
81.03406	0.5
82.06568	0.5
83.06099	0.3
84.04498	3.4
84.08131	10.5
85.02411	0.4
85.02892	4.5
85.08463	2.9
86.06032	0.2
86.09695	7.9
87.04436	0.2
87.05605	0.3
87.10009	1.0
88.03975	0.8
90.05537	0.8
91.05436	0.3
93.04513	0.2
96.04473	0.2
97.02894	1.2
99.04416	0.3
101.00848	0.2
101.07121	0.3
101.10770	0.3
102.05531	1.7
107.04897	0.2
109.05298	0.2
110.06028	5.8
110.07144	2.7
112.07566	0.3
112.08702	0.5
115.08663	0.3
116.07066	1.1
117.03369	0.3
119.01907	0.9
119.04951	0.5
120.08106	0.5
127.03875	1.1
129.10226	4.5
130.04999	0.8
130.08647	1.0
130.10608	2.0
131.01889	0.4
131.05388	0.2
132.10193	0.6
132.95871	0.3
133.03461	0.4
133.06064	0.5
135.04390	0.7
136.06154	0.3
136.07570	0.5
137.04491	0.2
137.05962	0.8
138.05484	100.0
139.05815	0.8
139.08675	0.2
141.06554	0.4
141.10173	0.4
143.11786	3.3
144.12149	0.3
145.02715	0.5
145.04932	0.6
147.04404	0.8
147.11255	0.8
148.06039	1.2
153.06401	0.3
155.08087	0.2
156.06534	52.9
157.06874	0.4
157.09735	0.3
157.13341	1.1
158.13670	0.4
159.07623	0.7
161.02910	0.5
163.03873	3.9
164.04210	0.5
171.11278	1.3
173.02859	0.5
175.04526	0.3
177.05434	0.3
179.06847	0.3
179.08179	0.6
183.11234	0.9
185.00876	0.7
185.09183	0.3
185.12860	0.9
187.07178	0.6
193.03329	0.3
195.03229	0.5
201.12352	0.9
203.01944	1.0
203.03920	0.2
203.10295	0.4
204.02686	0.3
205.08154	0.4
210.72037	0.2
211.02776	0.4
211.10762	0.3
217.01831	0.3
221.02925	29.8
223.02737	1.6
232.10077	0.3
239.01645	0.4
239.03963	5.7
241.03821	0.6
244.04553	0.8
247.04498	6.7
247.06569	0.2
247.12935	0.2
256.13058	0.2
257.02917	0.6
258.05383	0.3
259.04803	1.3
264.05490	0.4
265.05548	0.4
273.02328	0.6
274.57556	0.2
275.03934	2.3
277.03973	0.8
282.06421	0.6
286.07971	0.3
286.55200	0.3
291.03516	0.4
293.05118	0.3
295.05005	0.6
295.09125	0.2
299.68253	0.2
301.01794	1.5
313.05896	1.2
318.12054	1.5
318.17682	1.0
318.22104	2.8
318.88058	0.3
319.02942	5.1
320.99384	0.3
337.03857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.5
56.05026	1.9
60.04519	3.1
60.05633	0.6
61.01124	0.5
69.03418	1.0
69.07054	1.2
70.06585	7.7
71.06905	0.6
71.16038	0.7
71.16376	0.6
71.27176	0.4
72.04502	0.6
72.08146	20.6
72.93771	0.7
73.08479	1.4
74.02425	0.8
74.06071	1.7
75.05590	0.6
76.03999	0.6
80.05036	0.5
82.06555	0.7
83.06119	0.6
84.04487	7.2
84.08133	13.9
85.02891	2.4
85.04805	0.4
85.08468	3.2
86.09695	100.0
87.04438	0.5
87.05580	1.3
87.10027	4.2
88.03984	2.6
89.03927	0.5
90.05553	1.1
91.05479	0.7
95.06091	0.5
97.02880	0.9
99.04488	0.5
101.07062	0.4
102.05525	3.0
106.96368	0.4
107.04954	0.5
110.06055	2.4
110.07146	5.5
112.07594	0.6
112.08714	0.9
113.07166	0.5
113.10763	0.4
115.08708	1.1
116.03439	0.8
116.07056	1.2
117.03385	0.6
119.01917	0.6
120.06534	0.5
120.08060	2.0
124.03905	0.6
127.03931	0.8
127.08715	0.4
129.10231	7.6
130.04961	2.1
130.08615	1.6
130.09637	0.5
130.10591	1.3
131.01930	0.5
132.10176	2.7
132.95830	1.3
133.06064	3.6
134.04463	6.4
134.06456	0.8
135.04404	1.4
136.07556	1.0
138.05484	45.3
139.05801	1.2
139.88802	0.4
141.06584	2.1
141.10196	0.5
143.11774	2.9
144.12144	0.7
145.02742	0.8
147.04384	0.8
147.07610	2.0
147.11238	1.1
148.06017	1.4
148.07964	0.6
150.96916	0.8
155.08133	0.5
156.06537	23.0
156.07634	1.2
156.10161	1.1
157.13353	27.6
158.13689	1.8
159.07649	1.8
161.03073	0.5
162.96899	0.7
163.03871	6.7
164.04207	0.9
171.11252	0.6
171.14912	3.1
173.09169	0.5
174.96860	3.2
175.10713	0.7
183.11293	0.8
185.00946	1.6
185.09256	1.0
185.12833	29.8
185.16402	1.1
186.13103	1.6
187.07141	2.8
189.12273	0.7
193.03423	1.1
195.03296	0.6
197.12772	0.7
199.00507	0.5
199.14406	2.1
201.12331	2.4
202.01517	0.5
203.01776	3.0
205.08186	12.9
211.02594	0.6
214.65642	0.4
215.13942	1.0
216.98048	0.6
219.13333	0.5
219.15446	0.5
221.02927	86.1
222.03331	0.4
223.02647	2.4
226.23454	0.4
226.74994	0.5
229.03516	0.5
229.11786	0.8
234.98936	1.0
239.03987	17.5
241.03827	0.9
243.13315	1.0
244.04552	2.5
247.04506	20.8
249.00209	0.5
257.02826	1.5
259.04840	1.4
265.05698	2.2
270.06076	0.8
273.02545	1.0
275.03976	7.2
277.04010	0.8
282.06467	0.6
291.03281	0.7
293.04944	1.1
295.05283	0.9
298.05618	0.7
300.15659	0.9
301.01837	3.5
313.05862	1.2
318.16803	2.1
318.22183	2.3
319.02887	14.4
319.13214	0.8
337.03934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23733	0.4
53.05184	0.3
55.01841	0.9
55.05503	3.1
56.05026	4.7
57.05801	0.5
58.06582	0.9
60.04515	19.5
61.01138	1.8
61.02896	0.4
62.79912	0.4
67.05497	1.2
68.05024	0.8
68.99772	0.9
69.03419	1.7
69.07055	9.1
70.02943	1.2
70.06579	34.6
70.07388	1.4
71.04980	1.0
71.06910	1.2
71.33604	0.6
72.04474	0.5
72.08143	32.9
73.02914	0.4
74.06065	6.5
76.02253	0.4
76.03978	0.4
79.05482	0.5
81.03403	1.1
81.07040	0.8
82.06577	0.5
83.04971	0.5
83.06096	0.5
84.04492	7.2
84.08128	18.3
85.02895	3.4
85.08469	2.0
86.09690	94.7
87.05578	7.2
87.10034	1.7
88.03970	3.1
90.05537	0.7
91.05461	2.5
93.04508	0.5
93.07054	1.1
95.04959	0.9
95.06084	0.8
95.08613	0.5
96.04477	0.5
96.08106	1.0
97.02874	1.4
98.06061	0.7
98.09697	0.7
99.04410	0.8
99.05582	0.4
100.03970	0.5
101.07115	2.0
101.10745	0.6
102.05531	1.5
103.05450	1.2
104.05311	2.3
104.07095	0.9
107.04935	0.7
108.08108	0.7
109.02869	0.5
109.10211	0.5
110.06024	0.9
110.06393	0.5
110.07149	7.1
110.09682	0.6
111.04459	0.5
111.09198	0.7
112.07565	0.4
112.08721	1.7
113.07149	0.9
114.09164	4.9
115.05525	0.6
115.07581	0.7
115.08676	1.2
116.07101	3.9
116.07859	0.8
117.03299	0.5
118.04161	0.6
118.08627	4.9
119.04958	0.5
119.08533	0.5
120.06649	0.6
120.08085	15.5
121.06480	1.0
121.08401	0.5
123.04523	0.5
124.03856	0.4
124.07533	0.5
125.02306	0.5
125.07117	0.6
125.10739	0.6
126.09216	0.4
127.03921	1.3
127.08630	3.1
128.10696	4.4
129.05522	0.4
129.06934	0.6
129.10213	9.7
129.11206	0.5
130.05005	2.1
130.06512	1.1
130.08603	1.1
130.10542	0.6
132.08032	0.6
132.10168	3.6
134.08107	3.9
135.04384	1.0
136.07561	3.8
137.02304	2.8
138.05476	14.5
138.06339	0.5
138.09135	1.4
141.06947	4.1
141.10229	1.0
142.12265	1.0
142.38733	0.5
143.11783	1.4
144.06532	1.4
144.07909	0.6
145.02846	0.4
145.04938	1.2
146.06013	0.5
147.04422	0.5
147.07707	0.4
147.11220	1.0
151.03918	0.7
152.06187	1.4
153.01817	3.7
153.06984	7.7
154.07759	0.5
155.08487	7.5
155.11734	0.7
156.06551	7.3
156.07687	0.9
156.10159	6.2
157.01080	3.2
157.06268	0.4
157.07556	0.7
157.09715	0.6
157.13332	4.1
159.11263	26.0
162.07620	0.6
163.03897	3.5
164.04221	0.4
165.01833	1.7
165.06967	27.4
166.07362	0.9
166.08611	0.7
168.05681	1.3
169.01323	2.6
169.06477	4.6
169.09631	0.6
170.05983	0.9
171.07750	0.6
173.12828	34.3
175.08638	0.9
175.11850	0.5
177.05562	0.5
179.03398	1.0
179.05212	0.8
181.06439	9.6
181.09810	0.6
182.07016	0.9
183.08022	57.4
184.08463	2.0
185.02054	2.9
185.12814	1.7
185.16418	0.7
187.07510	4.4
187.10751	10.2
187.14368	5.9
189.05510	0.4
191.11827	1.6
192.05695	0.6
193.06201	6.6
193.07753	2.5
197.06032	1.1
197.12831	0.7
198.06641	0.5
199.03995	0.8
201.12308	20.0
203.03351	1.0
205.11801	10.5
205.13625	0.8
207.02922	0.5
208.07359	0.4
209.05931	21.8
210.06503	0.8
211.07509	28.1
212.07834	1.1
213.05493	1.0
215.06943	1.4
215.10364	0.4
215.13858	3.2
217.04942	1.0
219.11195	1.2
219.13271	0.9
221.02943	1.5
221.07108	1.5
227.06956	6.8
229.15456	1.1
231.11374	0.6
231.17020	0.7
236.06961	0.9
237.05417	40.0
238.05669	1.7
239.04047	0.8
239.07004	0.9
241.04918	2.7
245.04416	1.6
247.04349	0.4
254.07971	1.9
254.15071	0.6
255.06476	100.0
256.06836	4.2
257.07831	0.5
259.05881	2.1
265.05084	1.5
272.09119	44.7
273.03912	2.4
273.09470	2.0
282.07513	4.1
283.05930	7.7
284.06271	0.5
290.03909	1.4
300.08585	4.8
300.13013	0.7
300.18915	2.0
301.03442	0.9
301.06949	9.8
301.11771	1.6
318.03311	3.7
318.09662	49.9
318.20270	1.5
318.29297	0.5
319.04428	32.9
319.10141	1.7
319.12640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37199	0.4
55.01851	0.7
55.05495	1.6
56.05027	4.0
57.03408	1.0
60.04517	3.2
60.05634	1.0
61.01143	0.7
61.02919	2.1
62.18082	0.4
67.05478	0.7
69.03419	3.9
69.07042	1.7
70.02928	0.7
70.06583	19.1
71.04961	1.1
71.06905	0.7
71.40645	0.8
71.40989	0.5
72.08144	23.0
73.02893	1.0
74.02416	0.8
74.06078	2.4
75.05579	0.7
81.03401	1.5
81.04469	0.4
82.06561	0.8
83.06071	2.3
84.04496	9.7
84.08132	100.0
85.02421	0.6
85.02892	8.1
85.05303	0.3
85.06529	1.1
85.08455	2.4
86.06050	1.4
86.09694	40.0
87.04452	0.4
87.05577	3.3
87.10013	1.2
88.03960	1.7
90.05536	1.8
91.03937	0.7
91.05468	0.9
93.04504	0.4
95.06071	0.7
96.43137	0.4
97.02877	3.2
97.07686	0.4
98.06059	0.8
99.04441	0.7
100.04029	0.5
100.07602	0.5
101.00864	1.4
101.07116	1.1
101.10770	4.3
102.05529	2.6
102.09157	0.8
104.05325	0.5
106.04997	0.5
107.04966	0.6
109.02843	0.8
110.06014	3.9
110.07132	4.4
111.09161	0.6
112.07597	0.9
112.08737	2.0
114.05521	0.6
115.08683	1.2
116.03426	0.4
116.07081	3.1
117.03324	0.5
118.03606	0.3
119.01910	2.9
119.04950	0.4
120.02002	0.6
120.08141	0.4
121.19170	0.3
123.05541	1.1
126.05397	0.4
127.03885	3.3
127.08699	0.8
128.07118	0.5
129.10220	56.9
130.03497	0.7
130.04982	5.3
130.08620	8.6
130.10597	1.7
131.01886	1.6
131.08127	0.6
132.02011	0.5
132.10202	0.8
132.95810	0.5
133.03421	0.8
133.06059	8.3
133.06996	0.6
135.04413	1.2
136.06197	1.2
136.07578	1.9
137.04500	0.4
137.05946	0.7
138.05482	68.0
139.08615	0.4
140.08257	0.4
141.06554	0.9
141.10201	1.2
143.01897	0.6
143.11780	15.6
144.10051	0.5
145.03583	0.6
145.04922	1.5
145.05984	0.5
146.04955	4.1
146.55084	1.1
147.05022	1.2
147.07645	7.2
147.11270	9.6
148.06030	2.8
152.14299	0.8
154.08621	0.5
155.01828	1.3
155.05513	2.4
155.08099	0.7
155.11795	0.8
156.06534	34.7
157.03423	0.4
157.09738	0.6
157.13330	5.3
158.09183	0.7
158.32141	0.4
159.07671	0.5
160.55830	0.4
161.02942	1.5
163.03868	7.2
164.04221	2.7
165.06232	0.7
169.09732	0.6
171.04955	0.6
171.11253	5.6
173.02954	1.4
173.09209	0.8
174.03017	0.6
175.04498	0.5
175.11902	1.3
177.00894	1.8
177.05397	0.6
182.12869	1.3
183.05081	0.6
183.11244	1.8
183.14854	2.0
185.02927	0.5
185.09145	0.7
185.12822	5.1
186.08717	0.6
186.12323	1.8
187.07164	1.3
187.10687	0.7
189.06064	1.2
189.12378	1.7
193.03293	0.4
194.03714	0.9
195.03362	0.6
195.05075	0.5
197.16489	2.3
200.13966	1.3
201.06099	1.2
201.12297	0.5
203.02446	2.0
204.03224	0.5
204.09842	1.3
204.13457	0.8
210.03224	0.8
211.14410	0.8
215.00542	0.4
215.03835	0.5
219.01979	0.9
221.03203	0.6
221.04988	0.8
222.03339	2.7
223.02774	1.3
224.17534	1.0
225.15961	0.7
227.07686	2.7
227.11415	0.7
227.57761	0.8
228.13538	0.7
228.17108	1.5
235.65331	0.5
236.08261	0.9
236.58476	0.5
239.04004	0.5
240.04185	1.5
242.18581	2.5
244.14111	0.6
245.05273	0.8
246.18132	0.5
251.02406	0.9
257.05042	1.3
258.05234	3.1
259.04816	1.0
260.16281	0.4
260.19632	0.6
261.02759	0.6
263.05963	1.1
272.62228	1.7
273.12421	1.2
274.97006	0.6
275.14450	0.5
275.96948	0.5
276.04309	1.4
280.06845	0.5
281.06833	1.3
282.18091	0.8
289.12219	1.0
291.09222	3.2
292.09393	0.6
293.03052	0.8
294.05286	1.6
295.04861	0.6
299.17108	1.0
299.20569	0.4
300.16183	0.6
300.19250	1.8
308.17908	0.6
309.10413	0.6
312.06262	1.9
313.06122	0.8
316.69678	1.1
317.06671	1.0
317.21948	37.8
318.11954	1.2
318.17661	0.6
318.22272	1.6
335.07559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
65.03945	4.7
67.05509	1.1
69.07040	2.1
70.06570	1.8
71.15962	0.7
71.16283	0.8
79.05449	0.6
79.52480	0.4
81.07043	1.7
82.06573	0.5
83.08605	1.6
84.08124	1.1
86.09704	0.7
91.05470	1.5
92.05000	4.8
93.07014	1.3
94.06535	0.6
95.04932	0.5
95.08588	1.0
96.08157	0.6
97.10165	0.9
105.07037	0.5
106.06510	0.5
107.07309	0.5
107.08527	0.7
108.08113	0.8
109.10117	0.8
110.07159	0.5
110.10458	0.5
117.07062	0.6
120.04430	0.7
120.08105	0.7
121.10177	0.5
122.09642	0.6
124.11216	0.6
129.10144	0.4
130.06474	0.8
132.07985	0.5
133.10089	0.6
134.05980	0.6
138.05489	15.9
138.09103	6.9
143.08501	0.7
145.10081	0.7
148.03929	0.8
150.09105	1.5
152.07045	13.2
152.08255	0.9
158.09589	0.6
159.11682	0.8
163.05005	1.2
166.04985	48.7
167.05440	1.0
175.11310	0.6
180.06537	15.2
181.08864	0.5
184.11214	2.0
186.12892	0.6
196.09917	0.8
198.09152	1.0
200.09357	0.7
201.10057	1.1
201.13791	0.6
203.77025	0.4
211.12276	1.9
212.10782	4.7
214.12491	2.5
220.17027	1.0
222.18591	0.7
228.08760	1.1
229.09714	1.2
229.13309	3.6
230.11786	3.7
238.17982	1.1
239.11842	2.3
240.10149	2.2
240.19556	1.0
241.13330	1.0
242.11975	3.1
243.07690	0.7
243.11169	1.2
244.09702	0.6
244.45435	0.5
246.14915	2.2
256.08438	1.4
257.09213	1.8
257.12814	13.0
258.13287	0.9
259.12006	0.6
260.12756	2.9
267.11282	1.7
268.09680	1.6
272.11530	20.2
273.11575	0.7
274.09454	3.7
274.14337	0.6
275.10291	0.8
275.13858	1.5
285.12326	20.3
286.12534	1.4
288.10986	4.3
289.15405	4.0
299.13760	1.1
303.13364	17.2
304.13574	1.0
316.56610	2.3
317.14929	100.0
318.15274	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	317.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72843	0.8
53.03928	2.0
53.72401	0.8
55.01870	2.3
55.05507	6.2
55.19035	0.9
56.05029	12.5
57.03408	2.1
58.06584	1.6
58.54221	0.9
60.04517	15.8
60.05651	1.5
61.01134	3.5
66.38654	0.7
67.05499	5.2
68.05016	1.6
68.99781	2.2
69.03418	21.3
69.07058	53.6
70.02942	2.3
70.06584	100.0
71.04983	6.6
71.06299	1.0
71.06924	8.3
72.08147	36.4
72.93782	1.1
73.08488	1.5
74.02421	1.6
74.06072	9.4
75.06390	1.1
76.03968	1.4
79.05487	4.4
81.03407	19.1
81.07038	5.7
82.06557	1.6
83.04964	2.9
83.06092	3.5
83.08603	1.0
84.04498	28.9
84.08134	72.8
85.02888	10.6
85.04021	1.9
85.04812	1.4
85.06525	3.6
85.08469	2.2
86.09694	84.8
87.00806	1.9
87.04447	2.2
87.05581	7.9
87.08089	1.9
87.10023	6.8
88.03981	6.4
90.05559	2.1
91.05455	4.4
93.07011	3.9
94.06594	1.0
95.04946	3.1
95.06075	2.9
95.08588	2.4
96.04473	1.2
96.08110	3.3
97.02864	5.5
97.06522	2.0
97.07632	0.9
98.02396	2.5
98.06039	1.7
99.04438	12.0
99.05500	1.1
101.07168	2.1
101.10776	2.4
102.05523	9.4
103.05459	3.4
104.05312	3.1
105.06995	1.5
106.05004	2.4
107.04950	2.6
107.08575	3.6
109.02859	7.3
109.06503	1.9
109.10130	5.3
110.02412	2.7
110.06009	2.0
110.07150	17.9
111.04454	4.5
112.07552	2.3
112.08741	4.8
113.03435	1.8
113.07127	2.1
113.10759	1.2
113.18011	1.0
115.05066	1.7
115.07554	11.7
115.08690	5.2
116.07076	13.9
116.08948	1.0
117.07442	5.6
119.04904	1.7
119.08549	1.5
120.06634	1.9
120.08092	25.4
121.06483	2.1
121.08423	2.6
121.10114	1.2
122.06065	1.0
123.04396	2.0
124.03937	2.8
124.07561	1.8
125.04314	1.6
125.09615	2.6
127.03907	15.4
127.08672	1.6
129.06583	2.0
129.10225	38.4
130.05051	4.3
130.06522	11.5
130.08586	4.8
130.10594	1.6
132.04446	3.5
132.10204	2.1
133.06219	0.9
134.06021	1.4
135.04405	3.5
135.08067	2.7
136.07545	7.7
137.05986	2.6
137.09612	1.7
138.05513	11.4
138.06541	2.2
138.09096	2.3
139.08638	1.0
139.11079	1.1
140.04694	6.1
140.08130	2.2
140.10616	1.6
141.06618	1.1
141.10223	7.9
143.11778	2.7
144.06519	1.6
145.04953	2.0
146.05957	1.8
147.04404	2.0
147.07619	4.3
147.11275	3.8
148.06081	1.2
149.03412	1.4
150.05502	1.1
152.10764	1.9
153.05484	1.1
155.03336	1.2
155.04491	1.3
155.07011	8.2
155.08099	1.8
155.11743	5.2
156.06517	4.7
156.07692	3.0
157.06377	1.1
157.07567	7.4
157.09705	2.1
157.10924	1.1
158.06006	6.1
159.07712	1.4
159.09148	1.9
159.11324	1.3
163.03931	3.6
164.07039	1.0
165.05444	2.2
166.08588	1.6
167.04483	1.7
169.09767	1.4
170.06082	1.6
170.11699	1.8
173.05908	1.1
173.12846	6.3
174.05539	0.9
174.13164	3.9
175.08685	3.5
175.11899	2.1
178.04924	1.4
179.06985	2.0
180.11562	1.5
181.04919	3.2
183.11159	4.3
183.12686	2.0
185.07108	3.7
185.09242	1.0
186.12540	1.9
187.06032	2.5
187.10829	1.2
188.12793	7.2
190.12173	1.1
191.03386	2.6
193.04999	1.6
194.97238	2.0
195.10068	1.1
197.10480	1.2
200.13898	20.6
200.18460	1.2
201.12340	1.8
202.12555	1.3
203.03432	1.1
203.05415	1.6
203.13847	1.8
207.06432	2.0
208.08247	1.0
209.08783	2.0
211.07468	1.0
212.08177	1.2
213.04007	5.8
213.12274	2.9
217.05060	1.3
217.08229	1.1
221.09073	1.6
225.07559	1.9
225.10081	1.6
226.15646	1.0
228.04128	1.0
228.13377	8.2
229.15390	1.1
231.04973	21.9
237.06479	1.8
240.07642	1.8
240.12445	0.9
243.08749	2.2
245.04523	2.3
252.10097	1.2
253.09680	1.2
254.10751	3.7
255.06567	2.9
258.08649	3.6
259.03830	1.7
261.03894	2.0
267.82901	1.0
271.11752	1.7
272.08945	1.2
274.04749	1.7
275.99539	1.4
282.08694	3.7
283.12830	2.0
289.03275	2.7
294.00562	4.3
299.10989	6.8
299.16095	2.8
300.09723	13.6
300.13474	6.9
302.04120	6.3
317.02777	7.6
317.06546	25.9
317.12012	15.3
317.15811	1.2
317.18402	1.2
317.21762	4.1
318.03516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.78116	0.1
57.69995	0.1
65.03918	0.4
67.05476	0.2
68.99776	0.4
69.74862	0.9
69.75282	0.4
70.06589	0.9
74.69733	0.1
79.05479	0.4
81.07055	0.2
84.08144	0.8
86.09682	0.6
88.83909	0.2
91.05496	0.2
92.02608	2.6
93.03393	2.4
93.07014	0.3
94.06520	0.2
95.08633	0.2
96.08136	0.2
98.20726	0.3
108.08111	0.3
109.02876	0.2
109.10078	0.2
110.07150	0.3
111.00800	0.3
115.05412	0.2
120.08078	0.3
121.02853	1.7
121.56660	0.2
122.09624	0.3
126.03096	1.1
129.10289	0.2
133.02818	0.2
137.02335	0.6
139.03847	1.3
145.06474	0.3
148.03868	0.2
150.03131	0.3
151.03880	1.4
153.01808	15.6
154.02162	0.4
155.04930	0.3
161.05989	0.2
163.03926	0.3
165.01839	1.0
173.05984	0.4
177.05406	0.4
179.03429	0.3
183.02861	0.3
183.04376	0.2
188.07089	0.2
192.04092	0.2
197.26309	0.2
200.04677	0.5
201.05453	1.9
203.03418	1.3
204.04117	0.3
217.04959	2.3
217.12762	0.1
218.05696	1.1
219.02873	0.7
220.16907	0.6
228.04152	3.3
229.04938	6.6
230.05312	0.3
231.02892	1.0
232.03624	0.2
236.16402	0.3
237.17168	0.2
238.18042	0.6
239.03384	0.2
240.19505	0.5
243.06535	0.2
245.04417	2.9
246.05196	3.4
247.05585	0.2
256.03580	0.5
257.04434	4.1
259.02356	0.2
260.03210	0.7
261.07578	0.4
271.06012	0.4
273.03912	2.8
274.04684	6.4
275.05112	0.4
280.27530	0.2
284.03186	0.8
285.03922	7.2
286.04446	0.5
287.01776	0.3
288.06104	0.3
301.03259	0.4
302.04187	19.7
303.04581	1.4
316.68408	0.6
317.06519	100.0
317.68182	0.7
318.06854	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	317.0649
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.02166	0.3
53.03926	0.4
55.01860	0.9
55.05499	3.0
55.94526	0.4
56.05009	0.4
57.23117	0.4
58.06586	1.0
59.02492	0.3
62.53030	0.4
65.03934	0.4
65.21120	0.4
67.05492	3.0
68.04993	0.5
68.99783	0.6
69.03398	0.8
69.07051	2.8
70.06242	0.4
70.06586	6.9
70.32444	1.5
70.32874	0.7
72.08147	0.8
74.06091	0.5
79.05477	2.6
81.07052	3.9
82.06567	1.1
83.04962	1.0
83.08603	0.7
84.04452	1.0
84.08131	2.2
85.02905	0.4
86.09701	1.9
91.05472	2.2
93.07033	2.3
94.06560	0.9
95.04945	1.3
95.08592	3.1
96.08105	0.8
97.06526	0.7
97.10125	0.5
99.00794	1.8
105.07025	2.3
107.04961	0.6
107.08571	1.4
108.08092	1.3
109.06477	1.0
109.10134	1.4
110.07102	0.9
110.09686	0.8
112.01565	1.5
119.08542	1.7
120.08089	2.0
121.10110	1.3
122.09647	1.2
123.11647	0.5
124.11240	0.4
127.00270	1.9
127.14597	0.4
129.10226	1.0
131.08578	0.7
132.08073	0.7
133.10124	1.4
135.04404	1.2
135.08012	0.5
135.11710	0.7
137.02310	3.2
137.09576	0.7
138.05495	1.1
139.11235	0.4
140.00993	1.5
143.08537	0.8
144.08047	0.6
145.08972	0.4
145.10121	1.1
147.11636	0.7
155.10622	0.4
157.10056	0.8
158.09668	0.7
159.11707	0.4
160.07523	0.6
161.13293	0.5
162.09120	0.5
163.11131	0.5
168.00520	11.5
169.01299	2.6
171.11633	0.5
176.04747	0.5
186.01570	15.0
218.05682	0.5
220.16911	3.2
221.17220	0.8
222.18474	4.2
234.14790	0.8
236.16492	0.9
237.17126	0.9
238.17975	4.0
239.18173	0.7
240.19533	9.9
241.19850	1.5
244.18092	0.9
252.15910	0.5
274.04675	1.1
279.66571	0.7
299.19962	0.5
301.03479	0.9
302.04163	88.9
303.04465	5.1
307.68085	0.5
308.18170	0.9
312.15823	0.7
316.56607	4.5
316.68250	3.8
316.90094	3.7
317.06509	100.0
317.18860	14.4
317.23761	1.7
317.57220	0.9
317.69223	5.1
317.90851	0.6
318.06900	6.1
330.16980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.05509	4.3
56.05022	3.8
57.03416	0.9
57.07066	2.9
60.04515	100.0
61.04863	0.8
67.05495	7.2
68.05025	0.6
69.07057	5.7
70.06584	1.6
71.08618	1.1
71.21790	1.0
72.04508	1.8
73.02911	0.4
74.06055	2.1
79.05473	4.0
80.05023	0.9
81.07043	8.0
82.06576	1.1
83.04989	0.6
83.08601	3.4
84.08128	0.6
87.04446	2.5
88.07594	0.6
90.05527	1.2
91.05452	3.0
93.07020	3.3
94.06550	0.7
94.74494	0.5
95.04977	0.8
95.06120	0.4
95.07329	0.5
95.08587	7.8
96.08122	0.6
97.06544	0.9
97.10149	2.1
101.30168	0.4
102.09194	0.6
105.07043	2.0
107.08577	2.0
108.08087	0.4
109.10149	3.1
119.08588	1.3
121.10137	1.1
123.11707	1.3
133.10077	0.5
135.11673	1.1
154.64449	0.5
166.59036	0.5
190.67886	0.5
200.45494	0.4
212.23788	0.7
250.25296	1.2
256.26297	1.1
262.25333	1.5
263.23685	1.0
268.26245	0.7
269.46164	0.5
280.26285	11.5
281.26770	0.6
290.81601	0.5
298.27377	14.2
315.76111	0.5
316.28415	62.8
316.56946	0.8
317.28741	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	317.0647
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01868	0.2
55.05484	0.4
58.06571	0.2
65.03921	0.5
67.05479	0.5
68.99794	0.3
69.03420	0.2
69.07032	0.3
70.06581	1.3
71.04919	0.1
71.69672	0.3
77.36585	0.1
79.05453	0.2
81.07041	0.4
83.92980	0.2
84.08101	0.4
84.27012	0.2
86.09675	0.3
91.05436	0.3
92.02061	0.2
92.02608	2.6
93.02841	0.2
93.03394	2.6
93.07018	0.2
94.06532	0.1
95.04937	0.3
95.08595	0.3
96.08121	0.3
105.07029	0.3
105.22662	0.2
109.10144	0.2
111.00758	0.2
114.71510	0.1
115.05447	0.2
120.08065	0.2
121.02850	1.6
122.03558	0.2
126.03145	0.7
129.10326	0.2
137.02324	0.7
139.03857	1.4
145.06514	0.2
145.10040	0.1
149.02271	0.2
151.03873	1.2
152.00952	0.2
153.01802	14.2
154.02135	0.3
155.04834	0.3
160.07634	0.2
161.05922	0.1
162.03102	0.2
163.03860	0.3
165.01804	1.0
166.02609	0.3
170.02144	0.2
173.05949	0.2
177.05432	0.5
183.02914	0.4
183.04404	0.3
186.34491	0.2
187.03954	0.2
190.06136	0.2
200.04688	0.5
201.05493	1.1
203.03366	1.3
204.04268	0.2
204.06285	0.2
217.04927	2.1
218.05734	1.3
219.02884	0.7
220.16930	0.5
221.17143	0.2
222.18518	0.7
228.04138	2.9
229.04919	6.0
231.02771	0.8
232.03455	0.2
236.16379	0.2
238.17989	0.5
239.18286	0.2
240.19553	3.7
241.19884	0.3
243.06566	0.2
245.04407	2.6
246.05185	3.2
246.07513	0.3
247.02348	0.3
256.03552	0.5
257.04398	4.3
258.14886	0.2
260.03180	0.4
261.07605	0.6
264.17773	0.2
271.06009	0.3
273.03888	3.0
274.04672	6.1
275.05008	0.2
277.05585	0.2
278.17520	0.6
279.66602	0.5
284.03128	0.8
285.03888	6.6
285.07047	0.4
285.18149	0.2
286.04367	0.4
286.14212	0.2
287.01843	0.4
287.14603	0.2
288.06232	0.4
294.18823	0.3
294.69107	0.2
299.10245	0.3
301.03546	0.4
302.04160	20.6
303.04468	0.8
304.15381	0.2
307.67825	0.3
308.18500	0.6
316.68384	1.7
317.06500	100.0
317.18805	3.1
317.69070	0.7
318.06818	3.1
320.14774	0.2
330.16919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2841
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03941	0.5
55.01893	0.5
55.05499	4.3
56.05029	4.2
57.03417	1.1
57.07072	2.5
57.10278	0.4
60.04516	100.0
67.05496	8.8
69.07064	5.8
69.37554	3.8
69.37978	1.9
70.06575	1.7
71.08620	1.3
72.04507	2.0
74.06059	3.0
79.05492	4.1
80.04984	0.9
81.07044	9.1
82.06573	1.5
83.04996	0.7
83.08602	3.9
85.10174	1.0
86.06046	0.9
87.04443	2.5
90.05537	1.2
91.05467	2.6
92.26571	0.6
93.07034	3.9
94.06552	1.1
95.04942	0.9
95.08591	8.3
96.08097	0.8
97.06501	0.8
97.10164	1.9
98.06017	0.5
105.07006	1.5
107.08582	1.6
108.08121	0.7
109.06529	0.6
109.10133	2.8
111.11719	0.6
112.07588	0.8
116.07116	0.7
119.08564	1.8
121.10141	1.5
123.11713	1.2
133.10068	1.4
135.11720	1.2
147.11655	0.8
149.13281	0.6
168.34908	0.4
176.11064	0.5
188.57213	0.5
212.23630	0.5
240.19572	0.6
245.22690	0.6
250.25209	1.5
253.41714	0.5
256.26331	1.3
262.25412	1.0
263.23721	1.1
268.26300	0.7
280.23248	0.9
280.26297	13.4
281.26855	1.0
298.27344	15.1
299.27914	0.7
315.90799	0.6
316.28412	66.2
317.28729	3.2
317.32236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2227
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.03942	0.4
55.05505	4.5
56.05024	4.2
57.03424	0.4
57.05813	0.3
58.06578	0.4
60.04513	6.2
60.05647	0.7
67.05507	0.5
69.03423	1.8
69.07056	12.1
70.02943	0.8
70.06581	32.1
71.01986	0.7
71.02338	0.4
71.04987	0.3
71.06911	1.0
72.08143	44.7
73.08482	0.8
74.06068	13.9
75.06405	0.4
81.03413	0.5
81.07055	0.4
83.04961	0.4
83.06094	0.4
84.04490	6.1
84.08129	11.8
85.02898	1.6
85.06504	0.3
85.08479	0.4
86.09692	100.0
87.04440	0.3
87.05575	3.7
87.08093	0.7
87.09551	0.3
87.10005	1.9
88.03978	2.2
90.05540	1.2
91.05453	0.6
94.06608	0.6
95.06059	0.3
95.08595	0.4
96.04459	0.4
96.08121	0.9
97.02868	0.6
98.06072	0.4
98.09696	0.6
99.04427	0.7
100.07602	0.3
101.07078	0.4
102.03750	0.4
102.05524	1.7
103.05429	0.4
104.05312	0.6
104.07098	0.3
105.28543	0.3
106.05022	0.4
107.04976	0.3
107.08545	0.4
108.08121	0.4
109.02861	0.4
109.06515	0.4
109.96908	0.3
110.06039	0.6
110.07150	3.7
110.09653	0.3
111.09156	0.4
112.07572	0.3
112.08716	0.8
113.07084	0.4
115.07552	2.4
115.08672	1.2
116.03449	0.6
116.07074	36.1
117.07373	1.0
119.04944	0.4
120.06527	0.3
120.08073	3.2
122.02665	0.4
123.04420	0.5
124.03899	0.4
124.07602	1.4
126.05441	0.4
127.03868	0.6
127.08659	0.4
128.10698	1.9
129.10219	6.3
130.04987	4.7
130.06505	0.8
130.08598	1.2
130.10596	0.3
132.08134	0.3
132.10158	0.3
135.04396	0.3
136.07547	1.3
139.08612	0.5
141.10187	0.8
142.08611	0.8
143.08157	0.4
143.11769	1.2
144.06456	0.3
147.07645	0.3
147.11273	1.1
154.08603	5.5
156.07666	1.1
157.09669	0.6
157.13297	0.4
157.27228	0.3
159.09142	0.5
159.11206	0.5
163.03847	0.8
165.05505	0.4
166.08548	0.4
169.09694	4.8
170.05969	0.5
171.07623	0.7
171.14893	1.7
173.07408	0.3
173.12831	16.7
174.13124	0.6
175.11818	0.4
185.09081	0.7
187.09077	0.4
187.10750	5.8
189.03917	0.5
197.12779	0.4
199.14395	1.6
199.18027	26.6
200.18304	1.2
201.12309	5.0
203.03311	0.4
203.12119	0.4
203.13869	4.4
215.10242	14.6
216.10538	0.6
217.06209	0.5
217.08154	6.0
218.08517	0.4
227.17494	13.1
228.17850	0.8
229.15375	0.7
231.04935	0.7
235.11844	0.5
240.13525	0.3
244.12733	0.4
260.19550	0.4
270.14471	0.5
271.12531	0.4
288.20126	0.3
299.10794	0.7
302.04041	0.8
308.17590	0.8
316.14651	1.5
316.18362	0.5
316.21982	0.5
317.03033	0.6
317.06189	2.1
317.11771	0.7
317.21698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.01855	1.6
55.05506	32.3
55.75869	1.2
57.03159	1.2
57.03428	19.5
57.06824	1.4
57.07066	14.6
59.04976	1.8
67.05496	25.2
69.03397	1.2
69.07056	48.2
69.76553	3.9
69.76987	4.0
70.06564	3.7
70.29879	1.0
71.04961	4.6
71.08613	7.4
73.06538	3.3
77.35673	1.0
79.05482	15.0
81.06586	1.9
81.07043	33.7
83.04956	4.8
83.08143	2.1
83.08606	29.1
84.08136	1.6
85.06522	4.4
85.10159	4.6
86.09660	1.7
87.08051	1.2
91.05430	6.4
93.07030	20.3
94.74187	1.2
95.08591	44.6
96.08912	1.5
97.06511	14.8
97.10153	23.3
98.52242	1.1
99.08066	2.1
101.06038	1.3
103.53735	1.1
104.43565	1.0
105.06996	1.5
106.81004	1.0
107.08575	16.3
108.08050	1.3
109.06490	1.4
109.10140	12.9
110.10487	1.2
111.08069	11.6
111.11712	6.4
115.07533	3.0
117.07003	1.3
119.08556	3.6
120.08170	1.2
120.14914	1.2
121.10127	33.0
123.08069	1.5
123.11674	5.1
123.38165	1.1
125.09611	10.3
126.01196	1.0
129.09085	2.7
131.08534	3.8
133.10112	1.6
135.11668	13.9
139.11150	9.1
143.10654	2.2
145.10091	4.7
147.11603	1.3
149.13226	1.5
153.12737	3.5
153.16399	1.6
156.60304	1.1
157.12144	1.4
159.11661	1.6
172.15727	1.1
177.14786	1.6
177.16362	27.2
178.16646	1.3
179.06879	1.2
187.14761	11.9
195.17409	20.7
205.15865	3.1
210.23103	1.1
213.18462	1.4
223.16907	4.8
238.17868	2.1
240.19478	2.2
241.17937	2.7
259.19012	71.3
260.19260	4.9
297.20459	11.1
314.76059	3.0
315.21603	100.0
315.56873	1.5
316.21783	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	316.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05494	1.2
56.05017	1.2
60.04517	13.0
60.05638	0.5
62.55423	0.4
69.07056	2.2
70.02934	1.1
70.06580	52.1
71.06920	0.8
71.56064	0.8
72.07752	0.8
72.08144	14.0
72.17816	0.4
74.06060	2.2
74.85526	0.4
83.06087	0.5
84.04500	4.2
84.08130	7.4
85.02882	0.5
85.08461	0.6
86.09693	53.9
87.04442	0.6
87.05576	7.8
87.10010	0.6
88.03954	0.9
90.05544	1.1
91.05465	0.6
96.04462	0.6
102.05541	0.9
105.43782	0.4
106.02903	1.6
109.10142	0.9
110.06059	0.4
110.07159	1.1
112.08714	1.2
113.07070	0.4
114.49408	0.4
115.08680	0.7
116.01652	0.4
116.07076	100.0
117.07375	0.5
120.08080	1.6
122.02725	0.4
123.04446	0.8
124.03935	7.2
128.10716	5.1
129.06552	0.4
129.10207	4.4
130.04971	0.8
130.06493	0.6
130.10583	0.5
132.08110	1.0
132.10165	0.5
135.04340	0.5
136.07547	0.8
143.11739	0.6
144.06511	0.9
154.08620	0.5
155.08069	0.4
156.07664	0.5
157.09709	1.4
158.09204	0.5
159.09117	0.8
165.05467	1.0
170.05988	1.1
170.11780	0.4
171.14909	2.5
173.12833	41.8
174.13179	0.5
175.11823	0.7
185.09163	1.2
187.10800	0.5
188.12756	1.0
189.06024	0.5
195.10199	0.5
199.14346	1.6
199.17998	2.9
201.12309	13.3
203.13884	1.0
213.06754	0.5
215.10262	1.4
227.17479	1.6
229.15474	2.0
270.11499	1.7
298.05692	0.5
299.09610	0.6
302.04099	1.0
316.06601	3.2
316.11911	3.0
316.18530	1.2
317.02847	0.9
317.06485	3.1
317.11963	2.0
317.17288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05511	1.2
56.05029	1.1
56.96558	0.4
60.04510	1.8
61.01150	0.6
67.05479	0.3
69.07059	2.7
70.02947	0.4
70.06586	11.4
71.04976	0.3
71.06903	0.6
71.63434	0.6
72.08150	7.9
73.08483	0.4
74.06067	0.5
76.03966	0.2
81.03419	0.3
81.07035	0.4
84.04499	4.2
84.07616	0.5
84.08134	10.1
85.02904	0.3
85.08459	0.4
86.09697	100.0
87.05537	0.5
87.10025	2.3
88.03998	1.2
89.03899	0.3
90.05544	0.5
91.05437	0.6
93.07027	0.3
95.04948	0.2
96.08130	0.3
97.07616	0.3
98.06048	0.3
101.07143	1.1
102.05537	1.8
104.05323	0.6
106.05038	0.5
107.08591	0.4
110.07145	1.9
111.09154	0.2
112.07628	0.2
112.08723	0.6
113.07127	0.2
115.07520	0.4
115.08681	0.4
116.03564	0.2
116.07077	1.6
117.03444	0.2
118.08631	0.5
120.08094	2.2
121.08401	0.2
123.04392	0.3
124.03962	0.3
127.08670	0.4
129.06572	0.4
129.10222	5.2
130.05022	0.6
130.06494	0.4
130.08636	0.6
130.10555	0.4
134.04478	0.4
135.04414	0.9
136.07568	0.7
138.12709	0.2
141.10231	0.4
143.11783	0.5
143.56596	0.2
144.06516	0.5
144.10167	0.4
145.02788	0.5
147.11304	0.5
148.06030	0.3
154.08688	0.3
155.08151	0.3
156.07761	0.7
161.12845	0.5
163.03918	2.5
164.04227	0.5
165.04565	0.3
173.12859	0.8
175.11890	0.5
178.05017	0.9
183.08122	0.3
183.14929	0.3
185.09137	0.3
190.98631	0.4
195.07693	0.3
196.06032	0.3
197.12802	0.5
199.18037	28.7
200.18384	1.1
201.12315	0.7
203.13916	6.3
215.13945	0.3
227.17517	16.7
228.17778	0.3
242.32217	0.2
250.08719	0.3
251.09360	0.3
260.19678	0.6
294.00644	0.3
315.69803	0.2
316.12231	0.6
316.22226	0.8
317.02853	0.8
317.06494	0.5
317.11569	0.5
317.15433	0.3
317.21771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.0
56.19323	0.4
57.03153	0.7
57.03428	15.9
57.07065	46.0
58.07394	0.5
59.04995	0.5
67.05492	8.0
69.06714	0.7
69.07058	8.3
69.62437	0.4
69.68885	2.9
70.17751	0.4
71.08618	31.0
75.04431	0.5
75.56858	0.5
79.05465	0.5
81.07043	10.9
83.08601	9.5
85.06521	0.5
85.10169	14.6
89.06031	2.0
93.07032	0.7
95.08588	17.1
97.10147	4.9
99.11681	0.6
103.07547	1.6
106.11514	0.5
107.08589	0.5
109.09450	0.6
109.10135	7.6
111.11691	1.0
121.10175	0.5
123.11695	2.9
125.13253	0.8
137.13243	1.3
151.14795	0.5
156.84894	0.4
165.16356	0.6
189.61514	0.5
221.22583	0.6
239.23634	3.2
257.24673	3.8
270.97089	0.5
298.27542	1.0
313.27310	100.0
314.13803	0.8
314.27673	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	313.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	45.2
57.07069	42.9
65.79050	1.7
67.05499	32.9
69.07060	92.1
70.06587	4.0
70.97291	6.3
71.08623	35.4
74.20835	2.0
79.05480	7.3
81.07048	100.0
83.08609	65.2
83.09117	2.8
85.06542	9.4
85.10166	21.0
85.61287	1.7
88.07632	2.6
91.05467	5.6
91.46105	2.2
93.07027	7.0
95.08598	84.5
97.10156	59.7
99.08101	10.0
99.11687	2.5
105.06984	6.5
107.08563	5.6
109.10141	50.4
111.10941	2.7
111.11705	39.9
119.08594	4.1
121.10135	3.6
123.11691	38.6
125.13257	18.0
131.08521	2.7
133.10109	5.9
135.11664	3.2
137.13231	15.1
141.16270	1.8
145.10097	5.2
147.11688	2.5
151.14789	6.7
157.10193	2.2
159.11668	4.4
161.13251	2.6
165.16327	6.0
179.17970	2.5
193.19545	2.0
195.50308	2.1
197.06694	1.9
207.21167	3.1
213.16270	2.4
221.22534	2.4
225.25092	2.1
230.93164	2.3
231.17441	2.3
238.18121	6.4
240.19545	2.4
258.27835	8.0
277.28824	5.6
283.29944	3.1
295.24179	4.0
295.29907	8.8
298.10657	10.0
299.11566	4.3
312.70493	2.1
313.17685	2.2
313.21259	4.4
313.25293	13.1
313.32996	13.4
314.13742	12.2
314.34119	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
65.03911	0.7
67.05470	0.8
69.07052	0.7
70.06572	2.0
71.08607	0.3
71.12260	0.4
72.08132	0.4
79.05485	0.9
81.07041	1.0
84.04478	0.7
84.08135	1.0
86.09697	0.8
91.05468	26.1
92.05777	0.8
93.07022	1.4
95.04950	0.5
95.08575	0.9
96.08112	0.5
98.20786	0.9
103.05447	5.9
105.07027	0.7
107.04922	1.3
108.08052	0.4
120.08087	100.0
121.08421	2.7
131.04912	2.7
145.10086	0.4
149.05992	1.6
162.03728	0.4
166.08612	44.2
167.09035	0.9
178.19987	0.4
220.16885	0.7
222.18524	0.7
238.17992	1.1
240.19537	1.8
314.75845	0.7
315.08273	0.7
315.11554	2.0
315.23270	1.0
315.56766	0.9
315.90558	0.5
333.49091	0.3
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	Unknow
Peak:m/z	Relative Intensity
52.22544	2.3
53.03919	3.2
55.01863	8.6
55.05509	27.6
56.14915	2.5
57.07069	3.0
60.04517	6.1
61.02945	2.9
65.03920	2.8
65.80760	2.6
67.05497	38.8
68.05022	2.8
69.07063	24.0
70.06586	26.1
71.04977	3.8
71.08644	12.7
71.76820	6.1
72.08161	3.9
79.05478	22.2
81.03423	3.3
81.07050	47.1
83.04976	6.9
83.08607	20.4
84.04513	3.0
84.08144	9.7
85.06533	4.4
86.09683	5.8
91.05473	100.0
92.05803	3.7
93.07041	23.7
94.06542	4.4
95.04940	5.5
95.08591	25.9
96.08122	8.2
97.06519	11.3
97.10156	9.1
98.09638	2.7
99.08078	13.3
105.07043	16.3
107.08575	18.6
108.08096	8.1
109.10148	19.2
110.07114	6.5
110.09738	3.0
111.08069	8.4
113.09573	3.5
115.61581	2.4
117.06995	3.2
119.08521	14.2
120.08104	7.6
121.10109	14.3
122.09656	6.5
123.08030	4.2
123.11697	4.5
124.11250	2.8
125.09647	4.8
129.06952	4.3
131.08575	5.7
133.10118	15.5
134.09644	3.3
135.11681	8.2
136.07576	7.9
139.11188	9.6
145.10075	6.0
147.11626	8.9
149.09540	2.5
149.13272	13.4
150.05536	5.1
151.11180	6.0
155.08430	2.4
157.10248	4.1
159.11746	3.5
161.13312	5.9
163.11194	4.6
163.14816	3.7
165.12759	6.0
167.14320	3.1
171.11736	3.1
173.13144	3.6
175.02031	2.5
175.11118	3.5
179.14378	5.5
195.13770	6.8
220.16917	29.6
221.17340	3.4
222.09370	2.7
222.18477	8.1
238.17982	78.7
238.20404	3.9
238.68105	8.9
239.18730	70.4
239.68971	7.6
240.19572	40.7
241.19650	5.2
249.22084	3.6
259.15802	4.3
259.20633	5.0
259.65985	4.1
260.16513	19.3
260.66620	5.2
277.21649	42.9
278.21875	3.0
295.22729	23.6
298.10764	4.9
312.70212	20.7
313.20377	13.5
313.70435	9.0
314.13867	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	313.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99797	1.4
55.05490	6.0
57.03379	1.5
57.07066	3.8
59.04985	2.5
65.81882	1.4
67.05243	1.2
67.05489	13.6
69.07073	8.5
69.07396	2.2
69.39921	16.6
70.06559	2.3
71.08617	1.6
79.05479	12.1
81.06587	2.4
81.07046	36.2
83.04958	2.4
83.08595	4.2
85.06546	11.4
85.96333	1.5
91.05489	13.8
93.06490	2.0
93.07031	26.8
95.08594	24.3
97.06504	2.0
97.10126	2.2
101.05843	1.3
105.07008	22.8
107.07978	2.0
107.08589	23.2
109.06482	2.3
109.10148	12.7
111.08044	4.2
117.07004	4.9
119.08562	21.4
121.10125	16.1
123.11681	4.0
131.08534	10.2
133.10118	14.5
135.11696	12.8
136.06223	1.5
137.13242	2.0
143.08516	5.0
145.10086	20.9
147.11647	12.9
149.13179	5.7
151.07515	1.7
151.11131	1.8
155.08427	1.7
157.10083	8.6
159.11687	17.9
161.13257	12.3
163.14835	2.0
164.83690	1.5
171.11600	7.9
173.13222	11.7
175.14803	6.7
183.11635	3.1
185.13239	9.5
187.14850	7.7
189.16330	5.0
197.13242	3.3
199.14743	9.1
201.16313	9.5
203.14261	2.0
203.17918	6.0
211.14761	5.6
213.16318	11.8
215.17938	10.4
217.15865	1.9
225.16301	3.8
227.17838	8.3
228.93701	1.7
231.17368	5.8
238.18027	3.1
239.17908	8.8
246.54118	1.4
252.94453	1.7
255.20990	5.6
257.18985	4.0
267.20932	2.0
269.22614	4.2
295.24164	37.1
296.24457	2.1
298.10675	5.4
299.11502	1.8
313.25171	100.0
313.32840	7.0
314.13779	10.6
314.25507	4.7
314.34109	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	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01856	2.2
55.05496	2.4
56.05017	3.0
57.03424	4.5
59.04974	0.9
60.04503	2.9
60.05641	0.8
61.01132	1.5
61.02922	8.4
64.62302	0.7
65.45981	0.7
67.05472	0.8
68.04975	0.8
68.79846	0.7
69.03419	15.6
69.07060	12.4
69.58009	5.9
70.02937	1.0
70.06583	34.8
71.04980	2.2
71.06925	1.4
72.08148	11.5
73.02911	4.2
74.06060	2.6
76.03992	1.6
81.03408	6.6
83.06078	1.4
84.04491	6.3
84.08133	16.8
85.02894	100.0
85.08456	1.1
86.06075	1.1
86.09692	15.1
87.04449	2.4
87.05608	1.1
87.08096	15.9
88.03963	3.6
91.03947	6.9
91.05454	4.1
93.07018	1.1
94.06566	0.9
95.04942	0.7
97.02877	24.7
98.06014	0.7
98.20849	1.4
99.04438	4.5
101.07083	1.1
102.05539	2.5
104.05336	1.9
105.03391	2.5
105.09135	3.0
106.03747	0.8
107.04948	1.2
109.02852	6.5
110.07140	11.4
110.07767	0.9
111.09153	0.9
112.07556	0.9
112.08749	1.3
113.07107	0.8
115.03915	1.6
115.07571	1.1
115.08637	0.9
116.07072	1.6
118.06522	2.3
119.04926	1.5
120.08082	9.9
120.08854	1.2
122.02737	3.3
123.04416	1.6
125.02303	1.1
126.74866	0.7
127.03899	22.9
127.08652	1.0
129.10225	8.7
130.05052	1.1
130.08626	0.7
132.04427	1.0
133.02847	7.6
133.08592	7.6
133.10069	0.8
133.15634	0.7
136.03894	3.7
136.07584	4.6
137.05933	0.7
137.07938	0.9
145.04942	52.7
147.04410	1.6
147.11295	1.2
147.53238	0.9
148.06075	0.9
148.07535	0.9
149.06190	0.8
150.05492	1.5
151.03905	3.1
151.09692	0.7
152.03482	2.3
155.08151	0.8
156.07761	1.4
161.02373	1.3
163.05980	16.6
174.05501	2.0
175.03876	1.4
179.03368	4.6
180.08701	1.3
183.14905	1.7
193.04961	1.1
207.06554	3.1
213.08792	0.8
237.13579	1.0
241.27118	0.6
250.44507	0.7
258.14709	0.9
260.15466	3.9
260.65851	0.8
274.18890	0.7
276.15912	1.0
284.16138	0.9
294.16953	1.1
295.04492	1.3
295.13849	1.2
312.06952	1.3
312.12524	1.0
312.18085	14.2
313.21280	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
56.05014	1.1
57.03422	0.5
58.06579	0.7
60.04503	1.0
60.05608	0.3
67.05491	1.9
68.05022	0.3
69.03421	0.4
69.07062	2.5
69.74388	2.1
70.02963	0.3
70.06583	14.8
71.06903	0.5
72.07784	0.4
72.08146	4.6
74.06066	1.1
76.03982	1.2
79.05469	1.8
80.04993	0.3
81.07038	1.8
82.06573	1.3
83.06076	0.5
83.08599	0.6
84.04485	2.7
84.07681	0.3
84.08137	4.0
84.27453	0.3
85.02876	0.5
86.09695	3.5
87.05552	0.4
88.03960	0.3
89.03896	0.9
91.05470	1.6
93.07027	2.2
94.06564	2.2
95.04965	0.5
95.08575	0.8
96.08122	2.3
97.06545	0.3
98.06080	0.4
98.09679	0.3
98.21436	0.6
102.05527	0.4
105.07008	0.8
107.04926	0.5
107.07336	2.3
107.08559	1.1
108.08115	3.8
109.06478	0.3
109.10110	0.4
110.07142	2.7
110.09711	1.3
110.10423	0.2
111.08097	0.3
112.07531	0.3
115.08658	0.5
116.07114	0.4
117.03358	1.2
117.06968	0.5
119.08568	1.4
120.08094	2.0
121.08904	0.4
121.10134	0.3
122.09644	3.4
123.04415	0.7
123.10439	0.5
124.11228	1.0
127.08589	0.4
129.10220	1.8
130.04994	0.6
133.06310	0.3
134.03191	0.5
134.09627	0.5
135.04401	4.7
135.07974	0.3
135.11711	0.4
136.07593	1.3
136.11143	0.4
137.02330	3.1
137.03316	0.5
137.05966	0.3
145.02869	1.6
145.10081	0.6
147.11263	0.5
148.11293	0.3
151.03923	0.3
151.07530	0.5
156.07674	0.4
156.49847	0.3
163.03893	17.4
165.05544	0.4
170.11690	0.7
171.14902	0.4
171.62155	0.3
173.05882	0.4
179.03430	0.6
183.11192	0.3
190.15938	0.3
192.13811	0.6
192.17494	0.8
197.10323	0.6
199.07573	0.3
200.88054	0.3
202.15945	1.3
214.12949	0.9
215.13953	0.2
218.15332	0.6
219.18520	0.5
220.16936	25.6
221.17340	0.4
223.07536	0.4
233.20074	0.7
237.19727	0.4
238.17984	14.0
250.18048	0.3
251.21135	0.9
256.15314	0.3
256.16135	0.3
256.19034	3.9
285.20337	0.4
295.16821	0.6
295.20139	9.4
313.21173	100.0
314.13782	0.6
314.21677	1.8
323.81134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
53.83582	0.4
55.01850	1.7
55.05503	35.3
56.05834	1.1
57.03431	16.2
57.07067	17.4
58.03745	0.4
59.09740	0.4
63.54714	0.5
67.05498	5.2
69.07057	39.4
69.61742	3.7
71.08620	9.8
73.02894	0.7
79.05476	3.1
81.07048	7.4
83.04961	1.3
83.08607	33.9
84.08910	0.6
85.10162	3.9
91.05462	0.6
93.07030	4.6
95.04886	0.4
95.08590	6.3
97.06515	3.6
97.10155	25.0
98.10462	0.4
107.08583	2.9
109.10132	2.0
111.08041	1.8
111.11015	0.8
111.11710	7.3
112.15827	0.5
121.10120	5.0
123.11700	1.1
125.09611	1.1
125.13229	1.4
135.11682	3.1
137.13225	1.1
138.54053	0.4
139.11168	1.1
149.13235	1.6
155.51065	0.4
161.34836	0.4
163.14793	1.0
165.93770	0.4
168.61086	0.4
177.16339	0.7
209.11752	1.1
219.21025	0.6
237.11154	1.0
237.22014	0.9
311.25757	100.0
312.26141	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	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03924	1.2
55.01846	1.3
55.05504	40.2
56.05833	0.6
57.03430	16.7
57.07067	20.2
67.05491	6.3
67.71769	0.5
69.07059	42.9
69.61425	0.4
69.62326	3.6
69.62740	1.2
71.08621	10.4
73.02887	1.5
73.06536	0.6
79.05491	3.5
81.07039	7.0
83.04948	0.8
83.08605	34.4
84.08934	0.7
85.06522	0.7
85.10162	4.4
93.07039	5.2
95.08588	5.6
97.06521	3.3
97.10155	26.6
98.10497	0.6
107.08563	3.5
109.10114	2.0
111.08027	1.0
111.11710	7.1
114.15310	0.4
121.10130	4.4
123.11650	0.7
125.09577	1.8
125.13257	1.5
129.05467	0.6
130.79416	0.4
135.11658	3.0
137.13200	0.8
139.11131	1.3
139.14725	0.5
141.41074	0.5
149.13239	1.8
153.12682	0.6
163.14752	1.2
175.65810	0.5
219.21111	1.6
237.22079	1.0
256.97546	0.5
258.14691	0.5
311.25760	100.0
312.26089	6.8
317.01413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02416	0.2
55.05487	0.2
56.05029	1.1
57.03440	0.2
60.04511	1.2
60.05641	0.3
61.02917	0.4
68.05021	0.2
69.03406	0.9
69.07056	0.2
70.06583	6.8
71.04974	0.3
71.06907	0.3
71.58978	0.4
72.08142	1.1
72.93768	0.3
73.02911	0.5
74.06054	0.5
75.84512	0.2
76.86822	0.2
81.03419	0.3
83.06098	0.5
84.04492	2.2
84.07625	0.3
84.08131	6.9
85.02902	1.6
85.08453	0.3
86.09689	2.7
87.04429	0.2
87.05563	0.4
88.03976	0.6
89.15720	0.2
91.05449	0.5
93.04514	0.2
95.06055	0.4
97.02881	0.8
98.06030	0.3
99.04454	0.2
101.07124	0.2
102.05512	0.3
103.05404	0.2
104.05291	0.2
106.04996	0.2
107.04927	0.3
108.05568	0.6
109.02937	0.2
109.05141	0.3
110.06023	0.2
110.07139	4.9
112.08698	0.4
113.07127	0.2
113.96400	0.2
115.08687	0.2
116.07071	0.5
119.01890	0.2
119.04935	0.2
120.08095	2.6
121.06426	0.2
121.08447	0.3
122.07115	0.3
127.03919	0.3
129.10217	3.4
130.04974	0.3
130.08670	0.3
131.97404	0.3
132.08063	0.3
132.10199	0.4
133.05077	4.7
133.05984	0.3
136.06146	0.7
136.07549	1.5
137.07915	0.5
138.05467	0.4
138.06548	0.4
145.04918	0.3
150.07729	100.0
151.08170	1.4
155.08054	0.3
156.07664	0.8
163.03867	1.3
164.04274	0.4
164.11832	0.3
175.11871	0.3
185.02983	0.3
201.02544	0.2
208.96022	0.2
209.13985	0.5
218.20143	0.2
219.01927	0.3
222.03178	0.3
232.12546	0.2
234.99681	0.2
237.13330	0.5
258.05280	0.2
288.92435	0.2
294.05099	0.3
302.67609	0.8
303.17761	0.5
303.67523	0.2
311.68472	0.2
312.06412	0.6
312.12970	18.2
312.16818	0.8
312.68677	0.3
313.13217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01857	2.9
55.05497	14.4
57.07076	18.5
67.05499	37.0
69.07055	34.7
69.07400	3.0
69.45430	18.4
69.45839	4.7
70.06575	15.9
71.08640	10.3
79.05476	17.2
80.98458	2.5
81.07042	45.7
82.75565	2.2
83.04984	6.8
83.08612	10.6
84.08155	4.8
86.09703	2.7
88.02416	2.5
88.07644	6.5
91.05463	16.7
93.07034	25.8
93.07527	2.1
94.62789	2.8
95.04968	4.4
95.08595	51.1
95.09149	3.9
97.06552	5.6
97.10169	5.9
102.09196	5.3
105.07027	16.8
107.04986	4.3
107.08571	19.4
108.08200	4.3
109.02937	2.0
109.06519	5.4
109.10147	32.2
110.03690	3.1
110.07150	2.7
111.04459	2.9
111.08101	2.6
117.07010	4.8
119.08556	21.1
120.08107	2.3
121.06539	6.7
121.10142	17.0
122.09727	3.1
123.08102	8.0
123.11723	11.4
125.09594	4.1
131.08559	10.5
131.55798	3.6
133.10139	14.6
135.08090	7.8
135.11682	12.9
137.09608	2.8
143.08569	3.3
145.10159	8.7
147.11717	8.0
149.02312	22.7
149.09682	10.0
149.13293	5.4
151.11188	2.5
159.11734	5.8
161.13310	6.9
163.11238	7.4
167.10780	2.6
169.10283	2.9
171.11745	2.8
173.13333	5.2
177.05469	3.2
177.12685	5.8
179.14337	4.8
187.11134	3.3
187.14992	2.9
191.14546	2.4
193.04950	45.4
196.62643	10.3
197.12967	2.6
200.20186	7.0
205.19661	3.5
209.11795	8.8
213.16586	2.4
220.17056	6.1
224.65669	12.8
229.19618	4.7
237.11319	6.5
238.17973	11.7
239.18089	8.2
240.19684	3.0
247.20772	3.1
249.18509	3.0
251.20039	26.6
256.26456	5.2
257.19113	9.0
262.10925	3.2
265.21826	6.5
267.35999	2.2
275.20010	98.0
276.20465	6.2
293.21027	26.8
311.19238	26.8
311.24725	100.0
311.69302	12.9
311.74704	31.0
311.77612	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03927	3.4
54.55583	2.1
55.01851	4.8
55.05503	27.8
57.03423	4.9
57.07067	6.5
57.42469	2.2
65.03922	3.5
67.05168	3.5
67.05493	42.5
69.03410	3.7
69.07056	30.1
70.06568	13.1
71.04986	3.4
79.05479	33.6
80.39376	2.1
81.06576	3.9
81.07041	63.1
82.06531	3.8
83.04967	4.9
83.08609	11.6
84.04496	3.8
84.08125	4.1
85.06538	4.8
86.09672	5.2
91.05470	32.6
93.07032	39.3
94.06602	2.1
95.04939	10.2
95.08049	3.9
95.08595	43.2
96.08118	4.1
96.36719	2.6
97.06496	7.5
97.10146	12.1
98.21479	4.4
98.77708	2.3
99.08057	4.3
105.07018	34.6
107.04949	2.9
107.08562	28.1
108.08074	3.3
109.06509	4.9
109.10135	26.9
111.08098	3.6
117.06995	10.7
118.76771	2.2
119.08569	29.2
120.08094	4.0
121.06478	5.7
121.10106	18.2
122.09630	2.7
123.08052	10.7
123.11670	6.2
125.09567	8.0
127.07549	3.4
129.10234	5.5
131.08536	15.0
133.10123	34.4
135.08022	7.7
135.11685	7.8
137.09593	5.6
139.11121	2.9
143.08496	3.9
145.10095	13.9
147.11681	13.9
149.09642	12.3
149.13239	6.8
151.11049	3.9
155.08469	2.2
157.10120	4.3
159.11708	15.7
161.13275	5.2
163.11166	7.7
165.12778	4.1
169.10052	3.3
171.11670	6.7
173.09505	3.1
173.11752	2.9
173.13258	5.1
175.11160	3.8
177.12733	3.4
180.56082	2.3
189.11180	2.9
195.13680	2.5
197.13155	4.2
213.16437	4.0
219.21042	2.8
220.16939	8.5
229.19386	4.2
235.16974	5.7
238.18034	15.7
239.18233	6.9
240.19440	2.9
247.20775	3.6
249.18675	3.0
257.19037	11.7
275.20013	100.0
276.20410	3.3
293.21152	18.8
303.19345	2.6
311.19189	27.4
311.29346	7.1
311.69379	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	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.02363	0.3
55.05492	0.3
57.07057	0.4
58.02947	0.4
58.99552	0.2
59.04986	0.1
61.07175	0.2
66.04703	0.2
67.05488	0.5
69.07050	0.7
70.01935	1.0
70.06588	0.4
71.08608	0.5
72.08134	0.2
75.24182	0.2
76.02229	0.9
79.05483	0.7
81.07035	2.1
83.08608	0.2
84.04483	0.6
85.10176	0.2
86.05997	0.2
86.09708	0.2
86.11624	0.1
91.05466	0.7
93.07037	0.3
94.04169	1.3
95.08595	1.0
97.06467	0.2
105.07021	0.2
109.06486	0.3
112.15613	0.2
114.09157	0.3
116.01649	0.2
120.08061	0.2
120.52776	0.2
121.47433	0.1
122.03635	5.8
122.66371	0.2
123.02394	0.4
128.10663	0.2
130.04990	0.2
137.05959	100.0
137.13174	0.5
138.06296	2.3
139.06541	0.2
140.18637	0.2
155.14301	0.2
162.02184	0.5
165.12680	0.3
172.16876	1.2
179.04819	0.7
184.16939	2.9
220.16914	0.2
240.19545	0.3
284.63361	0.2
291.23230	0.6
308.22302	0.6
308.25824	0.6
319.52133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20728	0.6
55.01863	1.1
55.05505	7.1
56.05027	7.5
58.99562	2.8
60.04522	5.0
61.01127	2.3
63.02382	0.6
65.16279	0.7
67.05479	2.0
68.05023	1.4
69.03406	1.5
69.07061	4.7
70.02938	2.9
70.06582	35.1
71.01334	0.6
71.06902	1.5
71.75104	1.0
72.04500	0.7
72.08144	20.5
73.08477	1.1
73.96587	0.6
74.06069	4.6
76.02212	1.3
76.03964	1.2
78.01786	1.5
79.05463	2.3
81.03413	0.7
81.07065	3.1
82.06533	0.9
83.04967	6.0
83.06086	1.2
84.04488	9.9
84.08128	28.0
85.01096	0.9
85.02891	1.1
85.08449	1.3
86.09691	32.7
86.99029	0.7
87.05560	1.5
87.10008	2.0
88.03978	30.9
89.03881	5.6
90.05559	1.0
91.05461	6.7
93.04532	0.8
93.07038	3.6
94.06537	0.6
95.04935	1.3
95.06075	0.8
95.08589	1.2
96.08107	1.3
98.02432	0.6
98.06036	0.8
101.07102	1.0
101.10783	1.2
102.05514	3.4
103.05437	2.8
104.05331	4.9
105.03367	1.4
105.07013	14.5
106.04924	0.7
106.07830	0.9
107.04923	1.6
107.08574	8.1
108.08102	2.0
109.06486	1.2
110.06026	1.0
110.07153	9.4
111.02627	3.1
112.08682	2.1
113.07101	1.0
114.05511	0.7
115.08635	1.5
116.07053	2.0
117.03362	21.0
117.07006	1.3
118.04053	0.7
119.04913	3.0
119.08564	10.9
120.01131	1.6
120.07218	1.3
120.08080	23.6
121.02872	0.7
121.06474	0.7
121.08412	1.2
121.10125	2.9
121.60842	0.6
122.02716	1.6
122.09621	1.4
123.04454	0.8
123.08043	1.1
124.07597	1.3
125.04190	4.4
125.07059	0.8
129.06996	0.7
129.10220	14.0
130.04991	1.7
130.06473	1.6
130.08621	3.0
130.10550	0.8
131.08533	2.4
132.08046	1.8
133.02902	1.2
133.06439	2.7
133.10092	4.1
134.03629	1.5
135.04373	2.5
135.08040	1.1
135.11629	1.2
136.07556	14.7
137.04179	22.1
137.05792	3.3
139.04781	1.0
139.05748	14.5
139.08632	0.8
140.05214	1.0
141.07315	0.7
143.08189	0.9
144.06537	1.3
144.09233	0.9
145.02823	52.1
145.10085	3.9
146.03523	2.4
146.06007	1.0
147.04390	2.6
147.07976	1.4
147.11682	13.0
148.06032	1.7
149.04199	1.2
149.05957	6.9
150.06717	1.2
150.09068	1.5
151.05707	1.3
155.08192	1.3
156.07623	0.7
158.09244	0.7
159.11670	6.0
161.09653	3.1
161.13237	7.9
163.03830	2.0
163.05716	2.1
163.11214	0.7
165.07291	1.5
166.06787	1.8
167.05249	2.3
170.08136	1.1
171.11444	1.2
172.04199	1.1
173.09471	0.8
173.12943	1.2
174.10411	1.3
176.04665	1.4
177.05444	100.0
178.05779	4.7
179.03368	0.7
179.08850	4.3
180.08386	1.0
181.10466	7.6
183.14952	0.9
186.05547	0.7
187.11139	4.9
188.11841	2.0
189.12715	18.1
191.08684	1.2
191.14282	4.1
193.10402	3.5
194.05652	1.0
197.12842	1.0
201.12350	0.7
203.08849	0.8
205.10365	1.3
205.14566	2.7
206.15419	1.4
208.07884	1.8
209.06190	1.2
212.07379	8.2
219.08038	0.8
221.09914	9.1
223.11470	26.1
226.08920	5.5
237.09081	1.2
238.17989	1.2
240.13570	1.1
240.37350	0.8
244.16283	1.1
247.11339	1.8
251.10841	2.5
252.10516	3.5
254.08394	0.7
264.14114	1.2
266.98761	0.6
279.10001	0.7
283.14374	1.2
288.20227	1.1
292.13651	1.0
293.11902	2.8
310.14648	82.7
310.19803	3.4
311.09631	1.0
311.15482	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.4
55.96258	2.4
56.05037	4.3
57.07059	4.4
58.06604	3.7
59.04991	3.1
65.03922	2.7
66.00982	2.6
67.05494	23.9
69.07053	17.4
70.06587	20.0
71.04978	6.7
71.76608	4.2
73.06544	3.4
76.02219	15.8
79.05484	18.2
81.03439	2.7
81.07048	34.2
82.06565	4.3
83.04967	2.8
83.08598	6.8
83.78501	2.6
84.04499	10.3
84.08112	6.7
85.06516	3.1
86.09692	5.1
91.05489	19.7
93.07040	20.9
94.06546	6.2
95.04946	6.2
95.08595	22.0
96.08121	7.3
97.06514	7.8
105.07014	26.8
107.04950	3.8
107.07330	3.1
107.08585	16.6
108.08115	10.3
109.06502	6.3
109.10149	10.9
110.07140	6.0
111.08083	4.2
112.08034	2.7
116.01639	3.5
117.07016	5.1
119.08575	16.5
120.08112	6.0
121.02850	28.8
121.06467	4.8
121.10139	9.9
122.09673	8.0
123.08039	9.1
123.11698	4.7
125.09563	2.7
129.07079	2.3
129.10228	3.4
130.04984	3.0
131.08569	6.1
133.10114	13.3
134.09616	3.6
135.08037	6.9
135.11713	4.7
137.09581	5.8
143.08559	2.9
145.10098	9.9
147.11687	10.6
148.11275	2.8
149.09605	4.3
149.13322	3.8
151.11160	11.0
156.48346	2.3
157.10075	3.8
159.11673	5.9
163.11229	4.4
165.12744	8.2
169.10136	3.0
173.13315	6.6
179.04860	8.5
202.16109	2.7
213.05415	9.2
220.16982	17.7
221.17361	2.6
232.16814	2.8
238.17986	34.8
239.18202	7.5
240.19583	9.1
242.15086	2.6
248.16621	3.7
250.18042	5.6
256.19147	3.1
257.18921	7.1
275.20074	26.4
280.35245	2.7
306.74371	32.2
307.09796	13.7
307.22427	42.4
307.25043	100.0
307.75217	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	307.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05505	11.1
56.05021	1.4
57.07056	2.3
65.03928	1.7
67.05485	17.3
69.06767	1.1
69.07054	12.3
70.06583	10.3
71.04955	3.6
71.35066	2.3
71.35394	1.3
76.02219	8.1
79.05486	10.7
81.03414	1.5
81.07046	19.9
81.86587	1.2
82.06564	3.2
83.08608	4.1
84.04475	5.5
84.08114	5.6
85.02855	1.3
85.06525	1.5
86.09699	2.2
86.65507	1.1
90.82330	1.2
91.05457	14.0
93.07028	11.0
94.06566	3.7
94.07312	1.3
95.04943	3.9
95.08588	12.8
96.08098	3.6
97.06488	3.6
97.10114	1.9
105.07010	14.2
107.07310	3.8
107.08573	9.7
108.08093	5.6
109.06520	6.7
109.10120	6.4
110.07188	2.0
110.09657	1.8
111.04436	1.2
111.08112	1.5
116.01644	2.0
117.06970	4.3
119.08572	10.7
120.08103	3.5
121.02860	17.4
121.03751	2.3
121.06456	2.5
121.10126	6.4
122.09647	3.9
123.08037	4.1
123.11634	2.2
124.11165	1.6
130.05025	2.4
131.08553	3.8
133.10100	6.5
135.07999	1.9
135.11638	2.5
137.09602	3.6
137.13200	1.4
142.03130	1.3
143.08549	1.8
145.10085	3.0
147.11656	5.2
149.09605	1.6
151.11125	4.8
157.06415	2.6
157.10040	2.0
159.11656	3.9
162.02158	3.6
163.11147	3.6
165.12698	2.6
171.11707	1.3
173.13147	1.7
177.12704	1.5
179.04832	3.4
202.15874	1.8
213.05414	6.2
220.16939	11.9
229.19518	1.9
230.15343	3.0
236.16382	2.0
238.17978	25.7
239.18228	5.7
240.19536	5.0
244.17998	1.5
248.16437	2.9
250.17960	3.5
256.19080	1.5
265.07303	1.3
275.20047	16.4
296.70148	1.5
307.09610	11.8
307.22491	22.5
307.25024	100.0
307.71597	2.6
307.75177	42.3
308.09570	1.8
308.22662	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	308.0906
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05021	1.8
57.44618	0.5
57.79951	0.6
58.99576	17.2
62.09718	0.5
76.02217	100.0
76.03976	3.9
80.04992	1.8
83.06113	0.9
84.04492	46.9
85.04845	1.0
86.99046	4.5
88.02221	1.2
96.04488	0.8
102.05502	0.8
114.03748	1.6
116.01662	23.5
130.04987	16.1
135.04327	0.7
141.04800	1.0
142.03207	11.2
144.01132	11.9
144.02180	0.8
162.02182	39.3
163.02493	0.8
163.03934	1.2
170.02734	2.7
179.04829	59.1
180.05206	0.9
187.05403	2.5
196.34447	0.7
199.05385	0.9
215.04871	2.3
233.05867	17.5
233.08003	1.3
245.05873	3.5
290.08084	1.4
291.06512	2.8
308.09045	13.9
309.09253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01865	0.6
55.05502	6.7
56.05025	0.1
57.03408	0.1
57.07066	0.7
58.06559	0.1
65.03925	0.2
67.05495	8.4
68.05817	0.2
69.03419	0.2
69.07057	6.8
69.52764	0.2
69.53181	0.8
70.06593	0.3
70.07387	0.1
71.08618	0.3
72.04497	0.4
74.06081	0.2
77.41260	0.1
79.05484	2.1
81.07044	7.3
82.06570	0.3
82.07393	0.2
83.04942	0.1
83.08609	2.2
84.04474	0.2
84.08110	0.2
85.05270	2.0
85.05730	0.2
86.06037	0.8
88.72147	0.1
91.05473	0.7
91.48191	0.1
93.07030	1.6
95.04961	0.2
95.08595	4.9
96.08117	0.4
97.06524	0.3
97.10152	0.8
98.06039	14.3
98.09677	0.2
98.20695	0.2
99.06319	0.2
99.06888	0.3
100.07605	0.1
101.81923	0.1
105.07005	0.5
107.08576	1.0
107.51556	0.1
108.08105	0.3
109.10146	1.6
110.09664	0.4
111.08025	0.1
112.07590	1.8
119.08562	0.5
120.08112	0.2
121.10136	0.6
122.09566	0.1
123.11706	0.4
124.07564	0.4
124.11227	0.3
125.08373	0.1
126.09129	0.6
131.08559	0.1
133.10109	0.3
135.11710	0.3
137.05956	1.2
137.13150	0.1
138.09076	0.5
140.10719	0.8
145.10141	0.1
147.11725	0.1
148.11200	0.1
149.13226	0.1
152.10628	0.3
154.12216	0.8
155.12590	0.1
166.12242	0.3
168.13805	0.7
180.13876	0.2
182.15378	0.4
184.12335	0.1
194.15379	0.4
196.16821	0.6
208.16927	1.0
208.20633	0.1
210.18529	0.3
222.18517	0.8
224.19943	0.1
236.20100	0.5
250.21565	0.3
306.27859	100.0
307.28198	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	307.062
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19774	0.5
82.99899	0.2
85.32153	0.2
92.63831	0.2
93.67026	0.2
99.61110	0.3
101.00857	0.9
119.01907	4.9
137.02933	1.3
158.99837	0.4
175.03136	0.2
175.10335	0.2
177.00932	10.2
178.01064	0.6
182.99808	0.2
186.68629	0.3
201.00897	0.5
217.04056	2.2
218.03821	0.3
219.01976	17.0
220.02121	1.3
225.00861	2.0
242.03474	0.2
243.01961	6.4
244.02087	0.4
261.03030	100.0
262.03162	7.2
263.03256	0.4
265.02505	0.2
266.03635	0.5
284.04614	6.3
285.04663	0.5
326.36679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	2.6
70.88963	4.8
72.98695	1.4
76.02209	2.2
80.22816	1.4
84.05879	1.4
85.02867	1.4
86.87306	1.3
90.96255	1.3
119.01900	2.1
293.41241	1.5
307.07822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	3.8
58.99574	2.9
60.04516	2.0
60.05633	1.4
69.03400	2.0
70.06236	2.0
70.06583	27.0
70.29574	6.0
71.06880	1.7
72.08121	5.3
73.73700	1.2
74.06055	2.5
76.02221	16.1
83.06081	1.3
84.04026	1.7
84.04499	19.6
84.08128	15.7
84.68826	1.2
85.02872	1.6
86.09673	5.2
101.00868	12.9
102.05508	2.0
103.02416	3.8
110.07149	7.8
112.08712	1.7
113.00846	2.3
115.02399	4.4
116.01685	3.3
119.01911	37.0
120.02027	1.8
121.01664	1.4
121.03484	1.7
127.02383	1.4
129.10196	5.9
130.04980	8.4
130.08556	1.4
131.01846	7.9
133.03458	9.1
136.06178	1.6
137.02965	7.4
142.03201	2.1
143.01886	6.5
144.01089	2.2
145.03442	14.2
147.05008	1.2
149.02936	3.3
155.01884	9.8
157.03476	11.4
158.03418	1.8
159.04985	4.8
159.11407	1.4
161.02939	18.3
162.02101	6.7
163.04456	4.4
173.01758	1.2
173.02948	10.9
175.04469	9.5
177.02448	2.8
179.04829	9.8
185.80057	1.3
187.00864	9.0
187.04454	3.7
189.02327	1.6
189.05946	2.0
191.03983	1.5
196.58644	1.4
199.04536	3.7
203.03935	3.2
205.01921	4.5
205.05519	2.5
215.00323	12.6
217.02101	1.5
219.03505	2.3
221.05034	7.6
229.01932	3.6
233.01442	2.0
233.05882	3.9
244.16776	1.3
247.02945	20.7
247.06639	13.9
250.15907	1.2
261.03134	3.1
264.88245	1.3
265.04123	4.3
265.07617	27.0
266.07800	2.0
276.67026	1.6
277.07639	1.6
289.03827	3.2
307.07941	100.0
308.08545	6.0
318.32642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73304	0.3
58.02951	0.3
58.99310	0.2
67.05472	0.4
68.43674	0.2
69.07065	1.3
69.58286	1.8
69.58694	0.6
70.29550	0.2
75.44165	0.2
79.05453	0.5
81.07042	0.7
83.08636	0.2
88.15710	0.2
91.05459	0.4
93.06994	0.4
94.04158	1.5
95.08607	0.5
97.06519	0.3
100.07583	0.3
107.08576	0.6
109.10159	0.7
114.09140	0.4
122.03629	5.4
133.10114	0.9
135.11674	1.4
137.05957	100.0
138.06310	1.1
151.11168	0.3
153.12737	0.9
170.15390	1.7
182.15446	2.3
277.81461	0.3
306.20618	0.8
312.87836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78482	0.2
53.03940	0.9
55.05501	0.2
63.88908	0.3
64.51301	0.2
67.05489	1.0
69.50186	1.7
69.50616	0.6
70.06577	0.4
71.46215	0.2
77.03919	0.6
79.05473	0.4
81.07027	1.3
82.06567	0.3
84.04515	0.2
84.08109	0.3
85.72071	0.2
86.09686	0.3
91.05459	2.8
93.05782	0.6
93.07024	2.9
94.06556	0.9
95.04948	1.5
95.08579	0.5
96.08106	1.0
97.06517	0.4
105.04494	0.3
107.08557	0.2
108.08111	1.7
122.06009	3.5
124.07571	9.7
126.05508	1.4
136.07555	100.0
137.07916	1.9
138.09096	0.5
140.07014	1.2
150.05453	0.8
152.07040	18.1
153.07411	0.3
164.07037	76.5
165.07378	1.4
165.16800	0.3
166.08578	0.5
170.08104	5.3
182.08098	18.2
217.19623	0.3
222.18524	0.3
238.17868	0.3
240.19359	0.4
268.89166	0.3
287.13855	6.9
304.70337	0.4
305.05356	0.7
305.14847	2.3
305.18427	0.3
305.19922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40016	0.6
57.07066	100.0
58.07398	1.4
59.99099	10.5
67.05511	0.5
69.83362	1.3
69.83773	3.4
71.08622	0.7
79.05519	0.7
85.07649	1.2
86.06050	18.1
93.02452	0.6
98.21369	1.0
102.03745	3.4
102.99656	1.0
106.06538	61.4
107.06893	1.5
116.05298	45.0
137.05952	10.5
141.13878	1.3
145.04282	11.0
170.72061	0.6
201.10538	81.3
202.10846	2.6
208.05367	4.7
219.91902	0.6
241.83997	0.6
250.10031	5.0
250.43703	0.6
267.89627	0.7
306.16309	10.6
306.20108	1.0
307.16534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05521	0.7
55.23841	0.5
56.05023	2.3
58.97120	0.5
60.04519	27.6
60.05638	1.4
61.01151	0.9
69.03407	0.6
69.07047	1.2
70.02945	1.8
70.06582	18.0
70.81168	0.5
71.74003	0.8
72.04514	0.8
72.08144	3.8
72.93774	1.3
74.00649	0.6
74.06078	3.7
76.02221	1.1
76.03993	1.7
81.04497	0.5
84.04492	11.7
84.08134	7.5
85.02894	1.2
85.04830	0.7
85.08468	0.7
86.09694	80.4
87.05579	13.2
87.06109	0.8
87.10019	0.7
88.03996	1.1
90.05553	0.6
90.94791	0.9
91.05475	1.2
95.06081	0.9
96.04539	0.7
97.02910	0.7
98.06046	0.8
101.07088	0.5
102.05540	1.7
104.05313	1.4
106.05019	2.7
110.07158	5.3
112.08723	1.2
112.11190	0.5
115.08700	1.2
116.03432	0.5
116.07074	1.8
119.01897	1.1
119.04903	0.6
120.08099	1.4
122.07121	1.0
127.08639	0.8
128.10698	11.6
129.06610	0.8
129.10294	3.1
129.11084	0.6
130.04987	5.6
130.08597	0.8
132.10184	0.9
132.95837	1.1
134.08119	0.8
136.07564	2.3
137.05965	0.8
140.01689	0.7
144.95766	0.9
145.02869	1.1
147.04327	0.6
147.07617	1.2
150.96870	1.6
156.43579	0.5
158.09163	0.9
158.97385	1.4
159.08960	0.6
161.02899	0.8
163.00470	0.7
163.03870	3.0
164.08310	0.6
173.12837	100.0
174.13243	2.5
174.96844	0.6
175.07115	1.5
175.11888	2.1
176.98468	0.6
177.03279	1.4
179.04878	0.6
189.08702	0.9
201.12317	38.1
202.12592	0.9
203.06601	1.2
204.92407	0.5
216.97975	0.5
219.13342	2.3
231.04344	1.6
234.98981	1.8
247.02786	0.9
252.97833	1.4
253.00189	0.7
257.07816	0.9
271.09198	0.7
271.15054	0.9
288.15454	5.2
289.03607	0.5
306.16101	6.2
307.04568	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	304.1499
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
55.05486	0.7
56.05027	11.8
58.06593	6.5
60.04503	1.5
60.05630	1.1
61.01115	0.7
61.02905	1.5
68.05015	3.2
69.07056	1.0
70.06584	20.1
70.45570	2.2
72.07800	0.8
72.08150	9.6
73.02898	0.7
74.02409	1.6
74.06071	5.5
82.06564	1.1
84.04490	5.2
84.08139	5.7
85.02901	2.7
85.07647	3.8
85.08455	1.1
86.06059	16.1
86.09694	15.2
87.10012	0.8
88.03983	2.6
91.05466	0.6
96.08106	1.3
97.02892	0.6
97.07642	0.7
98.09676	1.8
100.03961	4.8
101.07120	2.0
102.05528	7.9
104.05331	0.8
110.06017	0.6
110.07121	0.7
111.09188	1.0
112.07574	1.7
113.07098	1.9
114.05517	50.0
114.09188	0.6
116.07050	3.4
119.01906	1.7
120.01904	0.8
120.06573	0.6
124.07569	6.1
125.07043	0.7
127.03844	0.5
127.05029	1.7
127.08656	1.2
128.07062	2.7
129.06607	4.3
129.10233	3.1
130.04982	2.1
130.08621	1.2
130.10632	1.0
132.10168	1.6
135.04411	1.6
139.08617	1.6
140.07072	0.8
141.01166	1.2
141.06554	1.9
141.10226	10.6
142.06927	0.6
142.08618	5.9
142.12277	0.7
143.08113	1.6
143.11775	2.1
145.03487	0.7
145.09732	2.0
151.08638	1.4
153.10216	0.9
157.06096	0.6
157.09703	5.7
157.13339	2.4
158.09209	0.8
159.11217	1.6
161.02946	1.4
163.03874	4.0
168.06517	1.4
168.11316	2.5
169.09731	1.6
170.12775	0.9
171.11299	1.4
171.14893	1.4
172.05469	0.5
173.02930	0.9
173.09189	1.4
175.11967	1.5
183.11305	1.0
185.09196	100.0
185.12755	2.2
186.07607	5.1
186.09515	1.9
187.10764	1.0
187.14372	5.7
196.10797	4.0
199.14539	0.6
201.12341	1.5
203.10263	5.2
205.04559	0.9
214.11800	1.8
215.10242	1.6
215.13841	3.1
221.02939	2.0
221.04941	0.6
229.11768	0.7
239.04056	0.7
240.13387	4.1
245.05179	1.5
258.14474	2.3
268.12881	2.4
281.05014	1.5
286.13943	66.7
287.14169	1.1
299.06070	0.8
304.08115	1.0
304.15030	18.1
304.18417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1862
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
55.05487	1.2
56.05025	7.3
57.03409	0.5
58.06578	1.6
60.04510	2.3
60.05629	0.6
61.01143	2.1
67.05492	0.5
68.05003	0.4
69.03391	0.5
69.07049	2.3
69.89369	0.3
70.06580	23.0
70.44717	1.8
71.06905	0.7
71.93658	0.4
72.08140	7.7
73.02892	0.5
73.06523	0.5
73.08484	0.8
74.02429	1.2
74.06066	16.8
82.06565	0.6
83.06094	0.6
84.04488	4.7
84.08128	8.4
85.02896	0.9
85.08440	0.6
86.06039	1.0
86.09690	100.0
87.05580	1.4
87.09456	0.8
87.10012	8.4
88.03970	4.0
90.05540	0.9
91.05467	0.6
96.08126	1.2
98.09635	0.4
98.20789	0.4
100.03957	0.8
100.07617	0.8
101.07120	6.4
102.05531	1.6
104.05326	2.6
110.07145	3.4
112.08713	1.0
113.07121	0.6
113.10754	0.6
113.82159	0.4
114.05488	2.4
115.04996	0.5
115.08680	0.5
116.03457	0.7
116.07079	1.4
120.06567	4.9
120.08091	1.7
124.07580	6.1
124.11214	0.6
126.12757	0.5
127.04984	1.1
127.08663	3.9
129.10231	5.1
130.04994	1.6
130.08606	0.6
130.10551	0.6
132.10175	1.2
134.04494	1.9
135.04396	0.4
135.10559	0.5
136.07553	1.2
141.10214	1.7
142.08614	10.2
142.12234	3.3
143.08147	0.5
143.11769	2.0
145.09731	1.2
147.11276	0.8
152.10655	0.6
155.08125	3.2
156.10225	1.4
157.13338	31.3
158.13716	0.5
159.11432	0.5
168.11395	0.8
169.13402	0.7
173.09200	7.7
175.11937	0.6
176.61923	0.4
183.11343	0.9
184.09534	0.7
185.09172	5.4
185.12819	15.5
187.10869	2.1
187.14383	30.4
188.14693	1.0
189.12309	1.0
190.12643	1.2
191.10204	3.4
201.08707	1.4
201.12328	9.9
201.14185	1.0
203.13846	1.0
215.10489	0.8
215.13878	15.0
229.11746	2.5
229.13731	1.1
233.14972	1.1
240.13397	0.5
252.97989	1.8
257.74133	0.5
276.18140	0.9
286.14032	3.5
286.17621	7.8
287.15024	0.4
304.13168	1.1
304.16196	0.8
304.18469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76544	0.2
55.05495	0.5
56.22145	0.2
65.03940	2.2
67.05481	0.4
69.07041	1.1
69.58045	2.6
70.06573	0.6
79.05474	0.5
81.07042	0.7
84.08109	0.4
91.05471	0.5
92.04989	2.4
93.07012	0.7
94.06509	0.6
95.08624	0.3
96.08128	0.3
105.07007	0.6
107.07307	0.2
107.08573	0.5
108.08129	0.5
109.10132	0.4
110.06022	0.3
120.04460	0.4
122.06000	0.2
122.09636	0.7
124.07603	0.3
124.11208	0.3
129.06958	0.2
131.07225	0.3
137.05933	0.9
138.05481	23.6
138.09116	10.0
139.05782	0.4
139.09438	0.3
143.08531	0.3
148.03949	0.5
150.09160	1.3
157.07582	0.3
158.09628	0.4
161.13293	0.4
162.05405	0.3
163.04994	1.1
166.04979	39.2
167.05321	0.9
169.08833	0.5
171.10356	0.3
172.07616	0.3
173.07196	0.3
174.09119	0.3
178.04967	0.3
183.09068	0.3
184.11211	0.9
186.09100	0.3
186.12833	0.6
194.09648	0.3
195.09120	0.4
196.09924	1.1
197.08415	0.3
198.09161	0.7
199.08508	0.4
200.09377	0.9
201.10220	0.8
201.13881	0.5
202.12340	0.4
205.15440	0.3
205.66801	0.3
211.12303	2.0
212.08766	0.5
212.10675	4.3
213.11632	0.3
213.13838	0.6
214.09035	0.3
214.10291	0.2
214.12379	3.6
216.10176	0.4
217.13454	0.3
220.16905	0.3
224.09357	0.4
228.08868	1.0
229.04939	0.4
229.09673	1.1
229.13326	2.5
230.11763	2.1
232.13284	3.0
233.13345	0.3
234.25259	0.2
235.07137	0.3
238.17909	0.4
239.08142	0.3
239.11734	1.7
240.10263	1.4
240.19664	0.4
241.13348	0.8
242.11871	2.8
243.07642	0.5
243.11418	0.8
244.09641	0.4
247.10770	0.3
256.08405	2.2
257.09210	1.8
257.12836	11.5
258.13367	0.6
259.11981	1.1
259.14447	0.5
260.12820	3.3
267.11179	1.7
268.09613	0.7
271.51724	0.3
272.11526	13.1
273.11908	0.7
274.09427	8.4
275.10196	1.6
275.13837	5.6
275.16650	0.5
285.12299	15.2
286.10687	1.0
286.13214	0.3
303.05023	2.4
303.13345	100.0
303.22510	1.7
303.72964	0.6
304.13690	4.7
304.19128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02679	2.2
55.01849	3.3
55.05508	3.4
56.05014	4.7
57.03405	9.5
57.04500	2.6
59.20085	2.5
60.04495	2.5
60.05622	4.1
61.02916	9.5
69.03416	22.2
69.07054	4.3
70.06581	37.6
71.56555	3.0
72.08141	62.2
73.02901	9.8
74.02408	2.5
81.03391	2.9
81.04520	5.5
83.06071	3.8
84.04499	13.5
84.08125	100.0
85.02891	40.6
86.09691	55.1
87.04437	2.9
87.05587	6.1
95.06077	9.4
97.02876	16.7
98.20769	2.6
99.04458	3.1
101.07098	3.3
101.10783	4.1
102.01118	2.6
111.05566	2.5
112.07581	3.2
112.08675	4.6
115.05041	3.3
115.08675	4.2
116.07072	6.1
119.01891	10.8
120.01972	4.1
121.01643	4.7
123.05526	18.7
123.06305	4.3
127.03902	15.2
129.10214	63.6
130.04968	8.6
130.08658	6.4
131.01906	8.6
133.03505	2.3
133.06079	14.7
138.09084	2.8
141.06555	94.5
141.10153	4.8
143.08159	3.5
143.11752	12.9
145.03436	2.9
145.04929	9.0
147.07632	7.0
147.11229	7.2
152.07034	3.5
158.09164	2.7
161.02951	7.8
161.09222	7.2
163.02780	3.1
171.11250	8.3
173.02959	8.6
175.10686	3.2
175.11993	5.1
183.11237	5.0
183.14890	3.9
185.02931	4.0
185.09258	3.4
186.12361	11.1
187.00929	4.3
189.12262	3.2
192.55643	3.4
196.54057	3.1
199.10730	4.2
200.13913	10.6
200.98273	3.2
203.03830	3.3
212.57233	5.7
214.11873	5.6
215.00429	4.4
216.00528	3.2
217.00235	3.5
221.05133	4.6
228.13469	5.8
230.02132	2.9
233.62535	2.4
242.99733	3.3
247.03128	3.8
248.03127	3.4
262.08432	2.6
285.10822	8.2
285.15671	3.5
286.13876	4.8
303.05347	7.3
303.07840	17.3
303.11182	5.5
303.17361	19.6
303.20444	20.5
321.06821	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	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
55.05498	0.3
63.01906	0.1
65.03918	0.4
67.01840	0.4
67.05480	0.4
67.27129	0.1
67.34108	0.1
68.99780	1.9
69.03413	0.2
69.07057	0.3
69.92722	0.6
70.06593	0.8
71.01331	0.1
71.04974	0.1
72.08138	0.2
79.05464	0.2
81.03388	0.6
81.07024	0.3
84.04480	0.2
84.08118	0.4
86.09694	1.3
87.10021	0.5
91.05465	0.3
93.03395	0.5
93.07013	0.3
94.06544	0.1
95.04947	0.8
95.08574	0.4
96.08089	0.1
97.06516	0.1
105.03403	0.2
105.07003	0.2
107.04926	0.3
107.08578	0.3
108.08093	0.1
109.02868	1.1
110.07120	0.1
111.00784	1.9
111.04397	0.2
117.06993	0.2
119.04905	0.2
119.08566	0.2
119.62943	0.1
120.08118	0.6
121.02859	1.9
121.10095	0.2
122.03619	0.2
123.04439	0.6
127.03893	0.4
128.06212	0.2
129.06955	0.1
129.10190	0.2
131.04895	0.3
132.08075	0.1
132.10205	0.1
133.06471	0.1
135.04395	0.3
135.08012	0.1
137.02324	7.0
137.03352	0.3
137.05948	1.6
143.04845	0.1
143.11800	0.5
144.12163	0.5
145.06400	0.7
147.04314	0.2
149.02371	0.6
151.03905	0.1
153.01807	8.2
154.02095	0.1
154.25436	0.1
155.04924	1.0
157.06538	0.1
159.04413	0.2
161.05962	0.6
163.03914	1.1
165.01816	3.4
166.02563	0.5
169.02808	0.1
171.11357	0.2
172.11566	0.2
173.05956	1.1
177.05362	0.2
179.03374	0.3
183.02859	1.6
183.04396	0.7
185.05907	0.1
187.03880	0.8
189.05441	0.1
191.03329	0.3
191.06999	0.2
195.02858	0.4
201.05443	4.0
202.05731	0.1
205.04930	0.5
207.02957	0.2
211.03877	0.3
213.05511	0.2
215.03377	0.1
219.02856	0.2
219.06516	0.4
220.16916	0.3
228.04149	0.6
229.04933	9.0
230.05376	0.3
232.03668	0.2
233.04355	0.2
238.17944	0.4
239.03310	0.4
240.19540	0.4
241.19745	0.1
245.04411	0.2
247.05934	1.0
257.04416	4.6
258.04709	0.2
267.02924	0.1
267.11313	0.2
273.18185	0.1
274.04715	1.1
275.05475	0.4
285.03922	2.1
285.12207	0.4
286.04507	0.2
290.51709	0.2
294.18640	0.2
294.68521	0.1
302.70593	0.3
303.04935	100.0
303.69406	0.3
304.05273	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	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.13493	0.1
53.03921	0.2
54.51789	0.1
55.01849	0.3
62.02657	0.1
65.03925	0.4
67.01846	0.3
67.05483	0.2
67.29753	0.1
68.99779	1.7
69.03408	0.1
69.65841	0.4
69.66262	0.4
76.63842	0.1
81.03410	0.6
91.05475	0.1
93.03387	0.6
95.04964	0.8
105.03403	0.2
105.30229	0.1
107.04918	0.1
109.02861	1.1
110.03675	0.1
111.00783	1.9
111.04412	0.2
115.05388	0.1
117.06996	0.3
120.08061	0.1
121.02862	1.7
121.06370	0.1
123.04411	0.5
127.03857	0.5
131.04936	0.2
133.02815	0.1
133.06413	0.1
135.04414	0.5
137.02327	7.0
137.03323	0.3
137.05945	0.2
143.04886	0.1
145.06450	0.4
147.04475	0.1
149.02307	0.7
153.01811	8.7
154.02144	0.2
155.04892	0.7
155.05977	0.1
157.06538	0.2
161.05984	0.5
163.03897	1.1
165.01817	3.2
166.02657	0.7
167.03386	0.1
171.02866	0.2
173.05954	1.3
177.01799	0.2
177.05452	0.2
179.03403	0.3
183.02869	1.7
183.04431	0.7
187.03889	0.8
191.03435	0.3
191.06944	0.3
193.04843	0.1
195.02933	0.5
201.05453	4.3
205.04987	0.5
207.02910	0.2
211.03880	0.4
213.05461	0.3
215.03355	0.2
217.05052	0.1
219.02925	0.2
219.06511	0.5
228.04178	0.6
229.04932	8.4
230.05309	0.2
232.03647	0.2
233.04465	0.1
239.03372	0.4
245.04305	0.2
247.05966	1.2
257.04440	4.3
258.04755	0.2
267.03003	0.1
273.20798	0.1
274.01929	0.2
274.04684	1.3
275.05356	0.3
285.03931	2.2
303.04950	100.0
304.05298	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	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88670	0.1
52.70658	0.1
53.03937	0.1
53.90667	0.1
55.01866	0.1
65.03925	0.4
67.01840	0.3
67.05486	0.3
68.99780	1.5
70.21387	0.7
74.56606	0.1
81.03410	0.7
86.09698	0.1
93.03391	0.5
95.04967	0.7
96.59950	0.1
98.21394	0.2
105.03335	0.2
107.04903	0.2
109.02868	0.9
110.75342	0.1
111.00787	1.8
117.06989	0.4
121.02848	2.0
123.04413	0.6
127.03897	0.5
131.04868	0.4
135.04407	0.5
135.31966	0.1
137.02322	6.4
137.03326	0.3
142.87207	0.1
143.04883	0.1
145.02844	0.2
145.06488	0.6
149.02370	0.7
153.01805	8.6
154.02144	0.3
155.04909	0.8
157.06535	0.2
159.04370	0.2
161.05974	0.6
163.03908	1.2
165.00497	0.3
165.01813	3.2
166.02548	0.3
171.02905	0.2
173.05981	1.4
177.05437	0.3
179.03374	0.4
183.02873	1.7
183.04398	0.7
187.03891	0.7
189.05348	0.1
191.03409	0.3
191.07001	0.2
195.02861	0.4
201.05449	3.2
202.05763	0.2
205.04964	0.4
207.02907	0.2
211.03883	0.3
213.05342	0.2
215.03439	0.1
219.06502	0.5
228.04150	0.6
229.04927	8.4
230.05336	0.4
232.03751	0.2
233.04526	0.2
239.03328	0.5
245.04439	0.2
246.05287	0.1
247.05945	1.3
257.01736	0.3
257.04422	4.8
258.04865	0.2
271.16064	0.1
274.04709	1.0
275.05319	0.3
285.03918	1.9
303.04950	100.0
304.05298	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93050	0.2
71.70251	0.2
84.08117	0.2
87.78772	0.2
99.63736	0.2
101.00856	0.9
110.73907	0.1
112.41441	0.2
119.01906	5.3
120.01984	0.4
134.99832	0.4
137.02930	1.8
153.00897	0.2
158.99815	0.3
165.99620	0.3
175.04254	0.2
177.00929	10.6
178.00999	1.3
179.00656	0.4
182.99783	0.3
195.01965	0.4
199.04498	0.2
201.00940	0.9
217.04039	2.0
218.03925	0.4
219.01981	18.7
220.02094	2.8
221.01724	1.4
222.01814	0.2
225.00768	2.0
226.00949	0.3
227.99570	0.2
242.03651	0.5
242.99419	0.4
243.01930	6.6
244.02075	1.0
256.97479	0.2
260.04700	0.3
261.03021	100.0
262.03159	15.8
262.07233	0.2
263.02869	2.1
264.96362	0.2
266.03470	0.2
279.00742	0.4
279.06482	0.2
280.00848	0.2
282.99872	0.3
284.04614	3.6
284.99734	1.3
285.04849	0.9
286.00058	0.2
301.00995	0.4
303.00818	3.2
303.04431	2.7
304.01028	0.3
304.04968	0.6
320.97440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.8
56.81717	0.7
61.02914	2.1
61.74191	0.8
69.03425	1.0
69.53655	6.8
70.06567	1.8
73.02908	1.9
74.71395	0.7
81.03394	1.0
83.81846	0.8
84.04485	2.8
84.08149	4.5
85.02896	1.4
86.06096	0.7
97.02882	2.0
98.98463	1.0
109.02840	1.1
113.07166	0.8
114.05479	1.0
119.01899	3.5
129.10242	2.9
131.01881	2.6
142.22455	0.8
151.00101	0.8
156.97450	1.3
158.97212	2.2
168.97377	1.0
176.96483	1.3
176.98291	3.5
177.00920	12.6
178.01009	1.1
186.98183	6.3
187.48242	1.0
187.98029	1.0
188.96490	2.7
189.46521	1.4
189.97983	1.2
197.97000	10.0
198.47018	2.7
198.48999	2.2
198.96893	1.1
198.98528	1.4
200.96628	1.3
200.98271	7.1
201.97945	1.1
202.93358	1.4
203.96954	0.9
205.95879	1.1
206.95752	0.9
206.97554	2.3
209.96956	5.8
210.47029	1.0
210.96820	1.2
210.98581	1.2
212.97575	1.2
214.96558	10.4
214.99706	0.9
215.96918	1.5
216.94766	4.2
217.44777	2.8
217.96158	1.8
218.97536	6.4
218.99681	1.7
219.01979	19.2
219.47551	3.8
219.97304	1.7
220.94377	1.5
221.01859	1.2
221.97008	1.1
223.01566	1.1
224.98155	3.2
225.95213	1.9
226.96059	3.4
227.96176	1.7
228.45659	0.8
228.94743	2.3
229.94594	1.2
230.97490	3.4
231.47598	1.2
231.99161	1.0
232.96544	1.8
236.93663	1.1
237.95328	5.4
238.46713	2.8
238.95435	9.4
239.97961	1.0
240.99635	2.0
242.99419	7.0
243.01944	1.6
243.95413	1.5
245.94003	1.1
246.43689	1.0
246.93867	1.1
249.94885	4.3
250.45078	1.7
250.95099	1.3
255.94691	0.9
256.96689	100.0
257.44116	1.0
257.48145	0.9
257.96631	8.1
258.95432	6.1
259.45441	3.1
261.03052	19.4
261.45529	1.3
261.97198	6.2
262.03085	1.1
267.91284	0.8
269.44278	1.4
270.95377	4.4
271.45633	1.0
274.97662	40.4
275.97787	3.1
276.91791	1.1
278.44650	6.0
278.98978	0.9
279.98260	61.4
280.45798	1.3
280.95389	0.9
280.98236	4.3
284.04785	1.3
284.98895	1.5
288.00485	0.8
288.94693	1.2
293.34195	1.0
294.92953	1.2
297.99319	8.7
298.98596	16.1
302.65982	1.0
302.99484	4.7
318.93027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42125	0.3
55.05499	4.9
56.05022	1.3
56.79392	0.3
57.05793	0.4
60.04518	0.8
62.53886	0.3
63.53799	0.3
65.11401	0.3
66.68491	0.3
67.05502	0.3
69.07060	0.7
70.06583	2.8
71.03806	0.9
72.08144	100.0
73.08482	1.1
74.06075	0.8
79.23988	0.3
84.04484	1.0
84.08139	2.9
85.02898	1.3
86.09694	27.2
87.10023	0.8
95.04950	0.3
95.68778	0.4
97.02876	0.6
100.07603	1.4
107.90183	0.3
110.07154	1.0
110.49709	0.3
118.08646	0.8
120.08094	1.7
122.06036	0.3
124.51039	0.4
126.04379	0.4
129.10223	1.9
132.10187	6.8
135.04359	0.5
137.02359	0.5
140.06992	0.7
143.11775	70.9
144.12137	1.2
153.01810	0.5
157.13348	4.7
164.07007	0.5
171.11270	39.7
172.11694	1.0
178.85815	0.4
182.08124	1.2
185.11594	0.4
185.12857	4.3
189.12321	0.9
203.13943	0.6
227.17542	0.3
229.04935	0.9
231.16994	2.1
231.18965	0.4
238.17963	0.7
294.18518	0.8
302.20813	1.1
303.04929	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01862	0.5
55.05495	1.5
55.13958	0.2
56.05024	1.9
57.03411	0.4
57.05811	0.2
58.06578	0.4
60.04513	2.6
60.05629	0.5
60.08153	0.2
61.01136	0.2
61.02906	0.5
65.53455	0.2
67.05489	1.0
68.05001	0.5
69.03410	1.0
69.07057	1.2
70.02527	1.0
70.02939	0.7
70.06579	13.2
71.04972	0.4
71.06902	0.6
72.08141	14.0
72.93771	0.5
73.02888	0.4
73.08469	0.5
74.02425	0.6
74.06063	2.2
75.05598	0.6
76.03994	2.3
77.06282	0.2
81.03391	0.4
81.05792	0.2
81.06992	0.2
82.06574	0.3
83.04926	0.2
83.06095	0.6
84.04487	5.3
84.08128	20.1
85.02448	0.2
85.02899	1.9
85.04825	0.2
85.06536	0.3
85.07722	0.2
85.07912	0.2
85.08450	2.3
86.06054	0.3
86.09689	14.7
87.04443	0.3
87.05579	1.7
87.10011	0.5
88.03966	1.5
90.05532	0.7
90.94814	0.4
91.05460	0.2
94.06548	2.1
95.04952	0.3
95.06060	0.2
96.04477	0.4
96.08113	0.6
97.02866	0.7
97.07635	0.2
98.02399	0.2
98.06026	0.4
99.05584	0.3
101.07137	0.7
101.10762	0.4
102.05540	1.3
102.94810	0.2
106.04997	0.6
107.04928	0.2
108.95867	0.2
109.02843	0.2
110.06023	1.0
110.07148	2.7
111.04448	0.4
111.09181	0.4
112.07571	0.5
112.08710	1.1
113.07117	0.4
113.07961	0.2
113.96414	0.2
115.05040	0.3
115.08685	0.9
116.03462	0.4
116.06324	0.3
116.07067	3.1
119.01885	0.7
119.04900	0.2
120.06555	0.3
120.08062	0.5
121.01660	0.2
122.02724	1.1
122.06005	100.0
123.04447	0.2
123.05524	0.3
123.06302	1.7
124.07568	2.3
125.07104	0.5
126.05558	0.3
126.09132	0.2
127.03895	0.6
127.04980	0.2
127.08657	0.6
129.06544	0.5
129.09236	0.4
129.10219	9.0
130.04994	1.0
130.08578	1.0
130.10583	0.9
131.01843	0.4
131.08133	0.3
132.95827	0.4
133.03442	0.3
133.05104	0.1
133.06049	3.1
134.04482	0.2
134.06033	0.8
135.04373	0.2
135.06718	0.3
136.07552	0.9
137.06035	0.2
138.05513	0.3
139.03876	1.4
139.08635	0.6
140.07039	25.2
141.01823	0.2
141.06493	0.4
141.07420	0.5
141.10173	0.5
142.12225	0.3
143.01881	0.2
143.11771	1.8
145.05057	0.2
147.04314	0.3
147.07602	0.4
147.11232	0.4
148.06021	0.3
149.02917	0.3
150.05418	0.2
150.96840	0.3
151.02104	0.3
152.07039	2.0
152.08156	0.4
152.14270	0.2
153.10254	0.3
155.08130	0.5
155.11766	0.3
156.07651	0.7
157.10832	0.3
158.09215	0.4
159.07651	0.3
159.11263	0.6
160.98991	0.2
161.02890	0.3
162.05499	0.4
163.03889	0.6
164.07045	0.5
167.03813	0.2
168.11226	0.2
169.09761	0.2
169.13342	0.5
171.11284	0.5
173.02942	0.3
173.12802	0.3
175.10577	0.3
175.11897	0.8
181.04955	0.8
181.09746	0.3
183.14899	0.3
184.04094	0.2
185.09076	0.8
185.16461	2.2
186.12352	0.4
187.04514	0.3
187.10724	1.0
189.02361	0.3
189.12285	0.2
193.03217	0.3
195.11301	0.3
197.02724	0.2
197.12869	0.6
197.16415	0.2
200.13972	0.2
201.06009	0.2
201.12328	0.4
203.04010	0.4
203.10240	1.6
210.06059	0.2
212.05234	0.4
213.08685	0.5
213.16008	0.8
218.09167	0.2
221.02815	0.6
221.04996	0.3
222.03104	0.8
223.02652	0.3
223.04617	0.4
225.09816	0.3
226.10133	0.2
228.13336	0.2
231.03445	0.3
232.97290	0.2
239.03680	0.4
240.04195	0.2
240.13330	0.5
249.12692	0.2
250.15250	1.6
250.65138	0.2
255.10789	0.2
256.06342	0.7
258.14532	0.2
260.09808	0.4
261.04474	0.3
261.67697	0.5
270.68173	0.6
273.08978	1.0
275.04117	0.2
276.13531	0.2
278.98029	0.3
284.67902	0.4
285.09055	0.2
285.15378	0.3
293.19287	1.6
301.68320	0.5
301.71024	0.3
302.06757	0.7
302.12274	22.6
302.21661	0.6
302.24448	0.5
302.67450	0.3
303.05386	0.4
303.12503	0.7
303.20364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01870	1.5
55.05500	5.6
56.05021	2.8
57.03423	1.9
59.34932	0.6
60.04515	1.7
61.01134	0.9
61.02914	2.4
63.33658	0.5
67.05499	3.9
69.03419	6.3
69.07061	3.1
70.06581	9.2
71.11617	1.5
72.08144	100.0
73.02895	1.2
73.08460	0.8
74.06075	2.3
79.05484	2.3
81.03416	4.8
81.07046	3.8
82.06547	1.1
84.04488	4.3
84.08133	10.3
85.02892	45.2
86.03210	0.7
86.09692	41.1
87.05576	0.6
87.10033	1.2
88.03988	2.9
91.05459	1.4
93.07023	0.9
94.06569	1.2
95.04951	2.7
96.08148	0.8
97.02879	19.2
97.03520	1.1
97.06512	1.0
99.04437	1.8
100.07587	1.1
102.54156	0.6
103.03914	3.7
103.05455	1.6
104.05321	0.9
106.06468	0.7
108.08092	8.2
109.02857	6.1
109.06492	0.8
110.06001	1.1
110.07159	4.9
112.07601	0.7
113.07151	0.7
115.08701	0.9
116.07060	1.1
120.08084	11.2
121.02892	0.6
121.08418	1.1
122.06004	3.1
125.05960	3.3
126.05494	3.3
126.09143	1.8
127.03884	10.5
129.10197	5.7
130.05000	1.0
130.08641	0.8
132.10176	8.6
136.07573	9.8
136.08606	0.9
137.02345	1.0
138.05458	1.1
138.09111	0.8
140.07047	24.3
141.10193	1.1
143.11775	61.5
145.04932	7.1
145.05991	0.8
150.09154	1.8
152.07047	11.3
152.08244	0.6
153.01836	1.7
154.08595	3.3
156.10167	0.8
156.11320	0.7
157.13354	8.9
157.14523	1.0
163.06038	1.9
164.07043	13.0
169.01291	1.0
171.11263	39.3
173.06010	0.7
175.11971	0.7
178.08575	9.6
182.08101	49.8
182.20483	0.6
183.02858	0.7
183.08476	1.9
185.12822	5.5
185.16461	0.8
187.14612	0.6
192.07721	0.8
201.05501	0.9
201.12320	2.8
203.13908	3.8
203.93977	0.6
206.08089	21.8
207.08601	0.8
209.10414	1.4
218.08109	3.0
220.17046	0.7
229.05063	2.2
231.17072	2.2
236.09201	2.5
236.13858	0.7
238.18066	1.6
248.09201	5.7
256.11856	0.8
257.04480	1.3
266.10318	0.7
293.19818	1.4
302.11664	0.8
302.21622	2.1
303.04947	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01862	1.5
55.05503	5.7
56.05013	4.5
57.03413	2.8
60.04506	2.5
60.05637	1.7
61.02905	4.5
62.83842	0.9
65.03917	1.1
67.05493	4.9
68.99796	1.1
69.03414	7.0
69.07053	4.2
69.24395	9.7
69.24812	2.1
70.06203	1.4
70.06576	19.6
71.01337	1.2
71.04971	1.6
72.08141	100.0
73.02887	1.2
74.06058	3.6
79.05469	3.8
81.03382	6.6
81.07036	5.1
84.04491	8.7
84.08127	26.9
85.02889	60.6
85.08431	1.4
86.09689	55.3
87.05585	1.4
87.10015	2.0
88.03959	4.3
91.05447	2.8
93.05775	1.3
94.06553	1.0
95.04940	3.8
97.02873	29.1
97.06490	1.6
98.06035	1.4
98.09640	1.3
99.04427	1.7
102.05473	1.3
103.03934	6.0
103.05420	2.1
108.08096	10.6
109.02869	8.3
109.06490	1.4
110.05990	1.4
110.07152	6.9
112.08723	2.2
115.03823	1.1
115.08680	1.8
116.07036	1.0
118.08649	1.1
120.08081	10.9
122.06024	5.1
125.05960	4.2
126.05504	6.1
126.09103	4.1
127.03893	13.0
127.08593	1.1
129.10211	9.6
130.05025	1.1
130.06497	4.3
130.08627	1.2
132.08047	1.5
132.10193	10.4
136.07555	16.0
137.02339	2.3
138.06476	1.1
140.07040	31.4
140.08110	2.1
141.10326	1.4
143.11768	66.7
145.04932	12.0
148.06007	1.1
150.09135	2.9
152.07033	12.9
153.01819	3.0
154.08574	4.5
156.07607	1.9
157.13342	7.5
159.09187	2.5
163.06001	3.0
164.07040	15.7
171.11255	41.4
178.08591	10.9
180.10222	2.3
182.08096	73.4
183.08430	2.1
185.12843	4.1
185.16446	1.2
201.12314	2.3
203.13809	2.3
206.08064	28.9
206.09868	1.9
209.10327	1.3
218.08076	2.1
229.04895	3.8
231.17055	2.4
236.09175	3.1
238.17944	1.2
239.07057	1.8
248.09116	9.5
256.09482	1.4
257.04553	2.7
285.12155	1.1
293.19754	2.1
302.10583	1.5
302.21634	3.6
303.04950	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	301.1179
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
50.97791	0.5
51.28497	0.6
55.05495	0.6
65.03920	2.5
67.05488	1.9
67.13245	0.5
69.07041	1.2
70.06570	1.7
71.19664	1.0
71.20018	1.3
72.08146	0.6
78.30286	0.5
79.05476	1.1
81.07047	0.9
84.08136	1.6
85.16935	0.6
86.09663	0.8
88.58796	0.5
91.05450	0.8
92.04990	3.9
93.07029	1.6
94.06568	0.7
95.04945	0.9
96.08112	1.0
97.41058	0.6
105.06988	1.4
107.08571	0.8
108.08093	1.6
120.08112	1.1
122.06038	0.6
122.09715	0.7
131.08557	0.8
136.07587	7.9
138.05472	10.6
143.08565	0.6
145.08897	0.8
148.07564	1.3
152.03387	1.5
155.07260	0.8
155.08540	1.3
165.06981	1.0
166.04987	44.2
167.07275	2.5
168.08109	1.1
169.08842	1.6
170.09624	0.7
176.07074	1.0
182.09636	3.5
184.09882	1.5
184.11250	1.4
185.10684	1.2
186.09117	0.7
189.42397	0.6
194.08397	2.0
197.10649	0.7
199.08647	1.5
199.12279	2.8
209.10716	4.1
210.09140	4.8
211.12274	0.9
212.10944	3.2
213.10275	0.7
214.08670	2.4
215.09537	0.6
219.09125	0.8
220.16995	0.8
222.07903	0.7
227.08226	1.0
227.11749	3.7
230.11662	3.0
232.09682	1.6
237.10239	3.3
238.08676	1.9
238.18060	0.8
239.11763	0.9
240.10225	0.9
240.19574	2.1
242.08101	0.8
242.10301	0.8
243.07547	1.5
245.09186	20.1
255.11255	17.2
258.11169	2.4
260.09119	2.2
265.09689	3.2
270.09982	6.0
273.12283	16.2
283.10736	25.7
284.11392	0.8
293.93127	0.6
300.69122	0.9
301.11792	100.0
301.71011	0.8
302.12207	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	300.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81424	0.3
53.75505	0.3
69.71007	2.5
70.06580	100.0
71.06911	1.7
72.08144	1.4
72.86657	0.3
73.88396	0.3
83.06083	0.4
84.04482	1.5
84.08124	2.5
86.09689	5.3
102.05496	0.6
106.04395	0.3
107.04952	0.4
110.07171	0.6
112.07585	86.7
113.07928	1.3
116.07079	5.9
129.10240	1.4
140.07042	61.1
141.07396	2.0
143.08104	2.0
144.06541	0.8
157.08446	0.5
157.09695	5.6
157.13344	0.9
161.09204	2.2
173.09128	0.5
178.45338	0.3
183.14917	0.8
185.12836	0.9
186.12234	0.4
187.10742	4.8
211.14397	0.7
240.13408	1.3
256.17526	0.3
268.12906	2.9
283.12711	1.0
295.30582	0.3
300.15659	4.7
300.18970	0.8
310.09882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
67.05470	0.3
68.99777	0.5
69.07059	0.4
69.50586	1.8
69.51021	1.1
70.06580	1.5
71.82042	0.3
72.08162	0.5
73.35228	0.4
79.05496	0.5
81.03436	0.3
81.07038	0.5
84.02116	0.5
84.08142	0.7
93.07051	0.7
95.08588	0.6
99.00809	1.3
105.06999	0.3
107.08601	0.4
112.01599	1.0
119.04916	1.0
121.02845	3.8
122.09650	0.4
127.00284	1.2
140.01022	0.9
145.10165	0.6
154.99684	0.3
159.11649	0.4
160.05168	0.5
168.00511	16.4
169.01093	0.5
176.07036	0.7
186.01564	15.5
187.01929	0.3
191.10510	0.4
212.04736	0.3
213.05440	0.3
220.16983	0.3
222.18564	0.5
238.17996	0.7
240.04160	0.4
240.19566	2.0
255.06512	0.6
257.04288	0.4
258.05237	1.6
283.06107	0.5
285.03888	1.4
286.04672	98.7
287.04965	4.3
300.70511	0.6
301.07016	100.0
302.07327	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	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.53090	0.1
57.99665	0.2
61.01144	5.3
69.03410	0.2
69.92939	0.8
69.93343	0.3
70.06567	0.8
72.08129	0.9
73.53349	0.2
75.02692	2.1
80.92324	0.2
84.04531	0.2
84.08107	0.5
86.09688	0.4
94.04028	0.3
96.60854	0.1
97.02378	0.1
97.02883	1.2
98.20815	0.2
103.02138	0.4
110.07147	0.3
119.03523	0.5
119.04904	0.2
120.08051	0.2
129.10236	0.2
136.06168	100.0
137.04573	0.4
137.06665	0.9
139.77795	0.2
145.03185	1.2
146.56923	0.2
147.04364	0.9
163.04234	1.3
240.52238	0.2
298.09619	5.0
299.09705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61362	0.4
53.01897	0.4
53.03937	1.1
55.05505	10.2
56.05027	6.9
57.07069	3.6
58.02940	2.0
60.04522	2.7
65.03908	0.6
67.05496	17.2
68.05021	2.5
68.05766	0.4
69.07060	12.4
70.19760	1.8
71.08611	1.6
72.04503	1.3
72.08141	0.5
74.06051	0.7
79.05066	0.6
79.05487	9.2
79.36785	0.4
80.05016	2.4
81.06572	0.9
81.07050	16.4
82.06565	8.3
82.07368	0.7
83.04957	0.9
83.08609	5.2
84.04484	0.7
84.08112	1.7
85.10169	0.7
86.06059	2.2
91.05468	10.4
93.05769	0.5
93.07028	6.4
94.06564	3.3
95.04957	1.7
95.07343	0.8
95.08594	11.5
96.08102	2.6
96.08900	0.7
97.06540	1.0
97.10148	2.8
98.06035	2.3
100.07597	1.4
105.07018	3.3
107.08575	3.7
108.08093	1.5
109.10151	4.1
110.09657	0.8
111.11694	0.6
112.07555	0.5
119.08571	3.8
120.08072	0.6
121.10139	3.2
122.09627	1.4
123.11665	1.1
126.09155	0.5
133.10091	2.2
135.11656	2.1
136.06181	10.1
147.11658	0.9
187.83910	0.5
220.16951	1.1
238.17970	1.3
239.11272	0.7
239.18454	0.5
240.19595	1.7
245.22701	0.7
250.25262	7.2
256.18958	0.6
260.23782	0.8
262.25278	4.2
266.99655	0.5
277.50049	0.5
280.26328	100.0
281.26590	5.3
297.71713	2.0
298.22229	0.7
298.27267	2.3
298.72424	1.4
299.19962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2737
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03921	1.4
54.82690	0.6
55.01850	0.9
55.05267	0.8
55.05505	13.3
56.05027	6.0
57.03410	0.6
57.07063	3.6
58.02938	2.3
58.06585	0.5
60.04497	2.2
62.21743	0.4
62.79466	0.5
65.03913	1.3
67.05494	17.9
68.05019	2.5
69.03392	1.5
69.07059	12.9
70.26474	1.2
70.26900	1.9
71.08601	1.8
72.04489	1.0
74.06049	0.9
79.05057	0.7
79.05483	11.0
80.04996	2.3
81.03381	0.6
81.06573	1.1
81.07044	16.7
82.06564	8.5
82.07346	1.0
83.04962	1.7
83.08607	7.3
84.04507	0.5
84.08128	1.5
85.02907	0.9
85.10167	1.0
86.06065	3.0
86.09680	0.8
91.04959	0.7
91.05466	9.7
93.07034	8.2
94.06551	3.6
95.04949	1.8
95.07343	0.6
95.08589	12.5
96.08125	2.4
97.06509	1.5
97.10149	3.6
98.06023	1.9
100.07584	1.6
104.74250	0.6
105.07014	3.2
107.08579	4.8
108.08129	0.5
108.08852	0.5
109.06477	0.8
109.10126	4.2
112.07586	0.7
114.09147	0.6
119.08571	3.1
120.08094	1.3
121.10131	3.3
122.09645	1.5
122.93195	0.5
123.11676	1.8
133.10120	3.0
135.08034	0.8
135.11638	1.8
136.06160	8.4
140.10658	0.6
147.11667	1.3
148.60185	0.6
149.13274	0.6
154.12242	0.9
160.98595	0.5
166.80788	0.5
171.31343	0.6
209.99875	0.6
220.16963	1.0
222.18623	0.6
238.17986	1.7
240.19545	1.3
245.22659	1.2
250.25252	6.8
251.25627	0.8
256.19122	0.7
262.25308	3.7
280.26312	100.0
281.26648	7.3
297.71747	0.8
298.09930	0.6
298.13876	0.5
298.22339	0.7
298.27542	0.9
298.72559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26849	0.5
51.19108	0.5
55.01855	1.5
55.05500	0.6
58.99578	9.0
59.10254	0.5
59.87708	0.5
67.05479	0.6
69.07047	0.7
70.06557	1.2
70.29093	2.5
76.02209	4.9
81.07033	1.8
84.04493	0.6
84.08125	0.6
85.01113	13.7
86.09668	0.6
86.99043	8.0
88.03978	1.4
91.05466	29.3
95.08593	1.1
102.03753	17.5
105.00075	4.8
107.08553	1.0
109.10148	0.7
120.04755	1.1
120.08095	1.4
121.10130	0.6
125.09610	0.7
125.26804	0.5
131.01607	15.4
135.08035	0.8
148.04248	100.0
159.08034	2.6
191.06224	0.6
213.12646	0.6
219.11708	0.5
236.82367	0.5
237.06905	2.0
238.17986	0.7
240.19720	1.2
296.68951	0.9
297.07254	1.8
297.18774	1.3
297.22018	1.3
297.71606	0.7
305.92743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1265
Annotation	Met Phe
Peak:m/z	Relative Intensity
55.05483	0.5
56.05028	59.0
57.05342	0.4
60.04527	0.6
61.01141	38.5
67.05479	0.3
69.07056	1.0
69.70929	0.5
69.71342	2.3
70.06584	6.4
72.08152	3.4
73.08505	0.5
74.06068	4.0
78.89385	0.3
82.06608	0.4
84.04493	2.0
84.08131	5.7
86.09691	6.4
86.31509	0.3
87.10016	0.5
89.06024	0.3
91.05457	2.8
93.07043	0.5
95.08620	0.4
98.21579	0.6
101.07079	0.4
102.05527	0.5
103.05452	1.1
104.05314	100.0
104.36804	0.4
105.05626	0.7
105.07008	0.8
106.44865	0.3
107.04959	0.4
110.07157	1.7
112.07623	0.4
112.08701	0.5
115.08700	0.4
116.07056	0.5
119.04987	0.5
120.08089	25.6
121.08434	0.5
125.61865	0.3
129.10220	5.5
130.05026	0.4
130.06502	1.4
130.08597	0.4
131.04924	0.5
131.95407	0.3
132.10205	0.4
135.04376	0.5
136.06136	1.6
136.07553	2.5
143.11784	1.0
147.04361	0.8
149.05952	0.4
156.07739	0.4
156.62125	0.3
158.09581	0.3
163.03845	1.4
166.08615	12.8
167.08788	0.4
173.12799	0.4
175.08606	1.4
175.11845	0.4
177.10210	0.9
186.09087	0.4
187.14375	0.4
203.11781	0.7
205.06400	0.4
205.13358	0.6
206.09953	0.9
232.09648	2.3
233.12808	0.5
238.18013	0.7
249.12299	4.8
251.12128	1.7
256.57205	0.3
261.12286	0.8
279.13498	0.5
280.09869	1.2
289.34540	0.3
296.68582	0.4
297.12589	7.0
297.69470	0.4
298.12674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9R-HODE
Peak:m/z	Relative Intensity
55.01859	4.2
55.05502	21.4
57.03426	6.0
57.07065	19.5
62.06077	2.9
67.05497	43.8
68.41418	2.1
68.99792	2.7
69.07056	31.0
69.74942	14.7
69.75354	4.1
71.01350	8.2
71.04983	6.4
71.08620	19.2
73.64765	2.4
79.05479	16.0
81.07047	50.8
83.04961	5.8
83.08617	13.3
85.06537	3.2
90.01286	2.3
91.05460	9.8
93.07026	15.1
95.08604	43.8
97.06541	4.8
97.10168	15.9
99.04459	2.5
99.08089	7.5
105.07037	5.5
107.08583	14.6
109.10136	22.2
110.71160	2.6
113.05987	2.5
117.11364	2.5
117.61250	2.4
119.08569	3.3
121.10092	12.7
123.11671	5.6
125.09603	8.4
133.10115	2.9
135.11678	10.3
136.06128	13.7
137.13243	5.7
138.53891	2.2
141.12732	8.5
147.11638	5.7
153.12720	5.1
169.15910	10.6
173.13316	2.9
183.13788	100.0
189.11200	8.8
209.15269	3.0
233.22653	3.0
238.17975	3.8
243.21082	5.1
248.76216	2.4
251.23669	18.7
261.22122	10.1
279.23135	42.1
297.24347	5.5
297.71536	4.0
298.05997	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	296.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.05507	6.2
56.05026	10.0
57.03418	2.0
57.05370	1.1
60.04520	11.3
60.05641	1.6
61.01143	4.3
61.02911	1.5
67.00607	1.0
67.05505	2.0
67.99974	1.0
68.05009	1.6
68.99770	1.1
69.03408	3.9
69.07068	4.9
70.02929	2.3
70.06583	81.0
71.04983	41.5
71.06920	2.7
71.76637	1.6
72.08145	38.8
73.02908	2.2
73.08476	2.7
74.02441	1.4
74.06070	8.2
74.62347	1.0
76.03994	5.1
77.62361	1.0
78.04687	2.4
79.05466	1.8
81.03413	1.8
81.07041	3.0
82.06567	1.5
83.04964	1.7
83.06086	2.5
84.04020	1.9
84.04493	27.9
84.08134	44.4
85.02885	14.7
85.04826	4.6
85.08480	3.1
86.03225	3.5
86.09694	36.9
87.05569	2.2
87.10017	3.0
88.03983	4.5
89.03896	3.0
90.05544	1.3
91.05450	7.4
91.95477	1.1
92.05817	2.9
93.07018	2.3
95.04966	3.0
95.06059	2.6
97.02866	4.5
98.06040	3.6
99.08078	41.4
101.07120	2.5
101.16819	1.0
102.05560	4.9
103.03928	1.2
103.05420	4.7
104.05270	4.9
104.05900	1.4
105.03373	3.4
105.07001	1.5
106.04991	1.3
107.04939	3.2
109.10162	1.0
110.06032	1.4
110.07153	18.1
111.04413	1.4
111.65416	1.0
112.08710	4.9
113.07068	1.8
114.05539	1.8
115.08713	3.6
116.07079	5.2
117.03364	4.3
117.09116	100.0
118.08643	2.5
118.09448	1.9
119.04934	3.9
120.08089	57.7
121.02850	31.2
121.03746	0.8
121.06508	1.6
121.08432	29.0
122.07117	2.2
123.04408	3.4
126.05487	1.9
127.03941	3.1
127.04976	1.1
127.08643	3.0
128.10698	1.0
129.10223	27.8
130.05005	5.4
130.06503	2.8
130.08614	3.0
130.10571	2.4
132.05283	1.5
132.08072	1.6
132.10149	1.4
133.02882	3.3
134.03641	19.5
134.05980	1.9
135.04407	19.4
136.07579	15.9
136.08606	1.0
137.06015	1.0
137.07883	8.2
138.05479	2.0
138.06561	2.1
141.10176	1.1
144.06587	1.0
145.02853	4.5
145.04944	2.5
145.06389	1.3
147.04402	3.5
147.07648	2.1
147.11285	2.1
148.06015	1.5
148.07483	1.1
149.05914	1.0
150.07715	3.9
151.03917	1.7
152.04250	2.2
153.05438	1.6
155.08142	2.1
156.07660	3.1
157.07530	1.2
157.09677	1.6
162.03084	6.7
162.05489	1.1
163.02510	2.0
163.03883	29.4
164.07047	1.5
165.10229	1.4
166.06105	2.4
166.08601	6.9
167.08978	14.4
169.13402	1.1
172.10838	1.3
173.06001	1.3
174.13052	1.1
174.87521	1.1
179.03401	2.8
180.03781	4.5
180.06442	1.0
180.19997	1.0
181.04956	2.1
183.11305	1.1
195.08862	1.8
197.10385	6.6
208.89897	1.1
214.13013	2.5
235.07610	1.2
238.19081	1.0
239.11458	2.8
244.14235	4.0
245.18092	1.0
252.10222	2.2
265.11975	2.3
276.13364	1.4
278.09888	1.4
279.06375	1.6
279.10699	1.9
279.17157	1.3
296.06088	2.5
296.09998	1.7
296.13193	2.8
296.18973	1.8
296.69482	1.4
297.17688	2.3
299.06174	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	297.06
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
55.05498	3.7
56.05019	1.4
57.03405	0.7
60.04503	0.8
60.05635	0.6
61.01134	1.8
63.02355	0.6
65.03941	0.6
67.05477	0.8
68.05029	0.7
69.07034	1.4
70.06579	20.5
70.89530	1.4
70.89876	1.0
71.06902	1.7
72.07761	1.0
72.08141	15.4
73.08462	1.8
74.06037	1.8
79.05494	3.1
81.07024	0.8
82.06561	1.0
83.04963	1.4
83.06128	0.6
84.04499	4.1
84.08124	13.5
85.02886	0.9
85.08432	1.6
86.09698	10.0
87.05550	0.7
87.10023	1.1
88.03960	1.0
89.03897	10.0
89.06002	2.1
91.05468	2.5
93.07003	1.3
94.06552	0.6
95.04955	1.2
102.05514	1.7
103.05451	1.1
105.07034	0.9
107.04930	3.8
107.08578	1.0
110.07148	4.1
111.04458	1.4
112.08707	0.9
115.08678	0.6
116.07060	0.8
117.03373	9.9
119.04916	1.4
120.08078	13.3
121.02870	5.7
121.08408	2.1
128.10693	1.1
129.10225	8.9
130.06490	0.9
130.08574	1.0
130.10568	1.4
131.08504	0.7
133.02844	0.9
133.08539	0.8
135.04404	24.4
136.05026	1.0
136.06155	19.7
136.07518	3.6
137.05902	0.7
137.07884	0.9
139.03853	2.4
145.02823	13.1
147.04378	5.3
147.11273	1.2
156.07695	1.9
163.03874	100.0
164.04196	2.4
173.12860	1.9
190.87837	0.6
191.75697	0.6
201.12189	0.6
203.10147	0.9
207.08020	1.1
220.17020	0.6
226.15436	0.7
235.07561	1.0
238.17973	1.9
251.06917	0.8
252.10255	2.0
265.08356	0.6
280.12036	0.7
296.69019	2.0
297.07306	2.7
297.11377	1.2
297.19330	5.5
297.69379	1.6
298.09631	0.8
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(S)-HOTrE
Peak:m/z	Relative Intensity
55.01862	8.5
55.05500	17.1
57.03431	34.1
57.07072	5.6
59.69347	2.6
63.18872	2.4
65.03949	2.5
67.05157	4.4
67.05493	54.9
69.07053	23.0
71.04982	4.4
71.75802	3.7
78.67657	2.1
79.05478	47.1
81.06568	5.1
81.07050	100.0
83.04965	6.9
83.08603	13.2
85.02910	3.5
85.06523	10.6
91.05468	25.4
93.07030	53.6
95.04970	4.9
95.08595	76.8
97.06509	7.6
97.10144	10.0
99.08101	5.8
101.02363	3.2
105.07021	18.6
107.08578	34.8
109.06519	5.2
109.10127	30.5
111.08051	7.9
113.09596	3.2
117.07022	6.3
119.08560	18.5
121.10130	42.8
123.08067	8.9
123.11692	9.7
125.09624	5.6
131.08525	14.0
133.10120	19.6
135.11673	32.6
137.09569	7.4
137.13243	3.6
139.11182	3.7
145.10092	14.5
147.11681	11.4
149.09599	3.4
149.13277	15.6
151.11189	5.5
157.10100	3.9
159.11673	12.6
161.13229	9.3
163.11162	4.4
163.14798	7.7
171.11676	6.9
173.13226	6.0
175.14809	3.2
177.12723	2.5
181.12242	4.5
185.13173	4.9
187.14807	19.7
199.14827	3.7
203.17947	6.0
205.15836	12.3
207.69322	2.8
221.11676	3.7
221.18939	9.7
223.16872	13.2
237.18434	5.8
241.19504	10.3
259.20535	18.9
277.21588	81.5
295.22620	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	295.2263
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03914	4.0
53.53497	1.8
55.01864	17.9
55.05504	37.0
57.03409	4.5
57.07056	12.0
67.05492	53.4
69.03413	3.3
69.07054	23.0
69.91257	12.7
70.06576	4.7
71.04961	3.3
71.08613	34.7
79.05479	34.0
81.03404	15.2
81.07042	48.4
83.04980	12.5
83.08601	21.7
85.06506	4.1
85.10163	8.1
91.05458	24.7
93.07026	35.3
94.32311	2.3
94.95081	2.2
95.04956	14.9
95.08589	31.4
95.85529	1.9
97.06503	8.9
97.10145	15.1
99.08077	33.4
105.07011	22.8
107.04945	3.5
107.08566	24.3
109.06496	6.5
109.10146	18.1
111.08079	19.0
113.09617	6.9
117.06980	6.8
119.08556	15.3
121.10113	15.5
123.11665	6.9
125.09606	13.2
126.31814	2.8
128.06239	2.3
129.06963	2.2
131.08531	5.9
133.10120	14.9
135.11674	16.2
137.09526	3.5
139.11163	4.3
143.08469	3.5
145.10071	5.9
147.11674	13.9
149.02313	27.2
149.09648	2.9
149.13217	14.5
151.11147	36.0
153.12691	3.3
159.11696	4.4
161.13226	14.7
163.11134	15.0
163.14731	3.2
165.12726	15.5
169.12160	3.7
171.11653	6.6
173.13187	4.9
175.11269	3.5
175.14851	3.0
179.14313	16.6
185.13248	5.7
189.11162	12.6
189.12686	4.2
199.14810	3.0
221.15317	2.5
231.21143	3.5
241.19398	7.6
249.22108	3.7
251.60716	2.2
259.20618	13.4
277.21576	100.0
278.21780	3.3
295.22641	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	3.6
54.53590	1.9
55.01864	5.1
55.05500	36.7
57.03415	7.8
57.07060	10.5
63.64848	1.9
65.03940	4.6
67.05497	100.0
69.03424	4.1
69.07059	30.1
70.94477	7.2
71.04964	4.6
71.08631	20.4
75.18038	2.0
75.47784	2.2
79.05051	3.8
79.05482	45.2
81.03405	3.7
81.07050	65.6
83.04971	8.9
83.08617	25.4
85.02926	2.0
85.06528	6.9
91.05481	20.0
93.07039	49.9
95.04964	8.8
95.08601	37.7
97.06528	6.1
97.10158	27.6
99.08093	12.6
105.07025	14.9
107.04974	3.4
107.08584	42.8
109.06531	4.3
109.09448	3.6
109.10148	52.8
111.08077	4.0
111.11697	4.2
117.07016	6.0
119.08545	14.2
119.13237	2.7
121.10123	30.4
123.08025	4.6
123.11715	7.4
125.09634	20.0
131.08566	3.6
133.10123	16.6
135.08032	4.9
135.11676	43.6
137.09558	3.0
139.11127	3.4
143.08572	2.2
145.10077	5.5
147.11665	7.9
149.13269	17.4
151.11189	7.0
153.09070	2.7
156.78908	2.6
159.11682	8.9
161.13264	9.5
163.11201	5.6
163.14801	3.6
171.11647	2.4
173.13206	3.5
175.14841	5.4
177.16344	3.2
179.14311	32.4
185.13229	3.2
187.14815	2.9
189.11220	12.6
195.13797	2.7
199.14775	3.4
231.21056	3.1
235.16946	3.4
241.19586	5.4
259.20554	17.3
265.12192	3.4
277.21613	80.5
279.23148	2.9
295.22806	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	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03940	11.3
55.01867	6.5
55.05506	19.4
57.03416	1.9
57.07074	5.5
61.63266	1.1
63.21623	1.0
67.05497	46.9
69.03413	2.0
69.07059	34.9
71.04975	1.3
71.06615	2.2
71.07020	2.1
71.08614	3.5
77.19997	1.0
79.05044	2.1
79.05483	29.2
81.03410	56.1
81.07049	41.1
83.04974	13.6
83.08624	8.4
85.06528	1.7
85.10159	2.6
91.05470	17.9
93.07034	34.4
95.04963	33.4
95.08593	18.7
97.06496	4.1
97.10177	6.1
99.08070	2.7
100.88213	1.0
105.07018	18.0
107.08586	20.3
109.06516	5.7
109.10143	13.0
111.08066	3.1
113.09663	1.3
117.07022	4.4
119.08570	8.9
119.31776	1.2
121.10127	9.5
123.08068	3.7
123.11689	7.6
125.09608	6.4
126.16850	1.1
131.08533	3.6
133.10112	16.7
135.08006	4.3
135.11676	7.8
137.13217	2.4
143.08507	1.7
145.10107	2.6
147.08022	2.0
147.11673	10.4
149.13255	4.7
151.11159	37.1
153.09088	4.7
157.10159	2.4
159.11702	1.2
161.09598	1.4
161.13229	10.7
163.14844	4.0
165.12726	9.4
171.11681	3.0
173.13329	1.9
175.11185	2.2
175.14793	4.4
177.12711	1.7
179.10643	2.0
179.14314	4.2
185.13298	2.3
189.11221	2.1
189.12794	2.4
193.12222	1.6
207.13811	3.4
231.21045	9.4
241.19556	5.4
249.22098	3.4
259.20538	8.9
275.40186	1.1
275.44006	1.2
277.21600	100.0
278.21875	4.0
279.23148	1.3
295.23047	1.4
314.75824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03934	5.6
55.01862	4.7
55.05506	36.1
57.03418	3.0
57.07057	4.7
60.66433	3.0
67.05496	69.4
69.07058	20.3
69.61372	2.5
70.32803	11.5
71.04971	4.1
71.08622	58.0
76.91725	2.2
79.05483	35.3
80.53335	2.2
81.03409	12.7
81.07046	49.9
83.04962	13.2
83.08603	26.4
85.06525	4.5
91.05468	25.9
93.07028	43.0
95.04958	12.2
95.08599	31.8
97.06515	9.1
97.10156	23.8
99.08081	56.1
99.16191	2.3
105.07023	22.4
107.04953	5.4
107.08583	33.9
107.15190	2.4
109.06468	4.6
109.10147	24.2
111.08054	7.2
117.06998	6.8
119.08559	16.9
121.06398	2.6
121.10109	17.8
123.08058	3.0
123.11682	5.4
125.09641	20.8
130.07805	2.9
131.08517	2.7
133.10103	12.4
135.11676	22.2
139.07471	3.3
143.08620	2.5
145.10144	5.5
147.11673	10.8
149.09425	2.8
149.13217	10.4
151.11160	47.3
159.11650	4.2
161.13252	20.8
163.11172	21.3
165.12654	3.5
171.11603	4.5
175.14851	3.9
177.12752	5.3
179.14297	17.4
182.46492	2.7
185.13278	6.3
189.11208	20.2
216.10040	2.3
217.19426	3.1
221.15318	3.0
231.21010	4.8
241.19377	10.2
259.20483	15.9
277.21603	100.0
285.54205	2.7
295.22607	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03954	2.2
55.01873	11.5
55.05503	52.8
55.29700	2.1
57.03416	6.8
57.07064	11.1
59.04994	2.2
62.52662	2.0
62.60285	2.2
65.03929	3.5
67.05495	100.0
69.03406	7.4
69.07058	36.8
70.06567	4.7
71.03727	5.7
71.04976	6.2
71.08621	14.3
79.05480	39.8
81.03410	10.0
81.07043	69.8
83.04969	15.4
83.08608	30.7
84.08127	3.9
85.06522	7.9
91.05470	85.6
93.07034	54.6
95.04958	13.6
95.08589	49.5
97.06522	8.7
97.10150	33.4
99.08080	15.0
105.07016	27.3
107.04950	3.8
107.08578	38.5
109.06494	6.9
109.10140	35.5
111.08073	6.6
111.11706	2.8
112.75868	2.0
117.06992	4.5
119.08562	17.2
121.10131	20.7
123.08041	6.8
123.11691	8.4
125.09605	30.2
129.07011	4.7
131.08549	7.7
133.06396	2.6
133.10089	17.0
135.08034	4.9
135.11681	16.9
137.09592	10.0
137.13191	2.9
139.11179	15.5
143.02701	2.5
143.08542	2.5
143.10655	2.9
145.10078	6.0
147.08011	2.7
147.11665	14.3
149.13196	13.0
151.11160	11.5
153.09045	2.8
157.10135	3.7
159.11661	5.2
161.13251	11.4
163.11166	6.3
163.14832	3.1
165.12729	5.1
167.14333	2.1
169.82103	2.1
171.11620	5.2
173.11823	5.2
173.13261	4.9
175.14795	6.3
175.50845	2.4
177.12587	2.7
179.14244	6.2
181.12175	3.3
185.13257	3.9
189.11209	24.4
189.12721	3.6
193.15932	2.8
195.13675	2.4
199.14809	2.6
217.04601	2.0
221.11575	3.0
231.21112	5.1
241.19496	8.1
249.22061	3.8
255.80276	2.4
259.20526	14.1
277.21591	97.9
278.22104	3.1
295.09250	17.4
295.19489	2.7
295.22610	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.19
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01862	7.0
55.05492	3.9
57.07054	1.4
58.53438	0.6
67.05502	5.7
69.07053	4.2
70.06580	1.1
70.31933	3.2
71.04980	0.9
71.08599	0.7
77.66978	0.6
79.05490	5.0
81.07045	29.5
83.04970	2.2
83.08610	2.0
84.08122	1.1
84.68843	0.6
86.09720	0.7
88.68572	0.7
91.05460	2.9
93.07024	4.5
95.04950	1.0
95.08598	6.4
97.06487	0.9
97.10136	1.0
101.03316	0.6
105.07021	2.7
107.08595	3.2
109.06514	13.0
109.10154	2.3
111.04431	12.3
111.08093	0.8
117.06979	1.2
119.08567	2.3
120.08049	0.8
121.10153	3.6
123.08051	1.5
123.11684	2.1
125.05983	3.1
125.09648	0.6
127.66288	0.6
129.07004	0.6
129.59273	0.6
131.08539	1.6
133.10114	2.9
135.08061	2.0
135.11696	3.5
137.05960	100.0
137.13246	1.4
138.06311	1.4
142.07814	0.6
143.08559	1.4
145.10126	1.2
147.07957	1.1
147.11673	3.7
149.09544	3.8
149.13243	0.8
151.07539	2.9
151.11179	1.1
157.10112	1.7
159.11649	0.9
161.09563	3.5
161.13263	2.0
163.11180	2.8
163.14813	1.0
165.09091	1.4
165.12726	0.6
166.83691	0.6
171.11646	0.9
173.13249	0.6
175.11134	3.6
175.14864	1.0
179.10666	1.9
181.12268	0.8
189.12776	0.7
193.12321	0.7
197.13213	0.6
199.48979	0.6
203.17911	3.8
205.19606	0.7
207.13701	0.8
213.16458	2.2
221.18982	2.0
231.17378	9.0
241.15871	1.5
249.18451	12.7
249.24550	0.6
276.52805	0.6
277.17975	48.6
277.21191	2.4
278.18124	1.0
295.18933	13.1
295.22253	0.7
295.70023	0.7
300.87100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03933	4.7
55.01867	6.0
55.05502	42.9
57.03414	3.2
57.07065	6.3
58.02307	1.8
59.04984	3.0
63.76372	1.7
65.03942	2.8
66.59623	1.9
67.05495	80.3
69.03409	4.2
69.07059	24.7
70.06583	8.3
71.04964	5.2
71.08621	52.6
71.10328	3.6
76.10155	1.7
79.05481	42.7
81.03410	12.3
81.07049	51.2
83.04974	16.0
83.08605	25.9
84.04509	2.1
84.08127	3.3
85.06535	6.8
85.51001	1.8
86.09705	2.7
89.80861	1.8
91.05470	28.9
93.07034	48.5
95.04971	17.1
95.08596	38.7
97.06516	6.8
97.10149	30.1
99.08081	40.3
105.07006	20.3
107.04951	5.6
107.08586	31.4
108.08908	2.0
109.06514	7.8
109.10142	25.2
111.08076	6.2
117.06985	6.6
119.08562	14.5
121.00487	5.1
121.10134	18.2
122.03625	4.7
123.08090	3.1
123.11707	6.8
125.09621	26.0
129.07034	2.7
131.08568	6.9
133.10097	13.5
135.08041	4.8
135.11699	18.2
137.05966	55.2
137.09610	4.6
137.13293	2.7
138.06297	45.7
141.12701	2.5
143.01790	1.9
143.08562	4.2
143.10609	2.1
145.10127	11.0
147.11682	12.6
149.09583	1.9
149.13251	13.1
151.11162	42.8
151.12311	2.9
152.11484	2.0
153.09088	2.1
153.12820	2.4
157.10107	4.3
159.11670	4.0
161.13220	15.9
163.11168	15.5
163.14771	4.2
165.12729	4.4
167.10828	2.1
167.99678	2.9
171.11681	6.3
173.13200	4.0
175.14830	6.9
177.00223	10.1
177.12747	3.9
179.14281	16.0
185.13264	6.0
189.11211	25.9
189.12726	3.0
193.15887	3.9
195.13716	3.7
199.01501	2.4
199.14845	2.8
207.13753	3.0
217.02603	5.7
221.15332	2.7
231.21074	3.9
235.16861	2.2
241.19539	8.3
252.04631	5.5
252.54626	2.2
259.20578	13.7
261.05127	6.1
263.55490	3.4
267.00479	2.0
271.72772	1.8
277.21603	100.0
278.21945	7.5
295.22656	7.6
304.77203	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	295.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05502	8.0
56.05011	1.5
56.40569	1.7
57.07066	19.4
65.03921	2.1
67.05484	10.4
69.03401	2.1
69.07048	7.8
70.06579	13.2
71.06892	1.5
71.77065	1.4
72.08137	4.0
73.06519	2.0
79.05466	5.3
81.07042	11.1
83.08595	3.6
84.08118	6.8
86.09681	3.0
89.54464	1.9
91.05454	5.0
93.07027	7.1
93.82943	1.5
95.04958	2.3
95.08595	10.7
96.08160	2.2
97.06512	3.1
105.06998	4.0
107.08576	5.5
109.06539	1.9
109.10137	5.9
110.07136	2.0
115.47476	1.4
119.08563	5.4
120.08087	2.8
121.02847	4.0
121.10121	3.9
122.58245	1.7
125.09628	1.6
127.60671	1.5
129.10211	1.8
133.10156	3.3
135.11711	1.6
143.08475	2.1
145.02206	1.7
147.11621	2.7
149.02321	100.0
149.13329	2.3
167.03407	2.6
175.07533	2.6
203.06987	4.9
220.16893	4.1
222.18477	3.0
228.85815	1.7
238.17979	3.4
240.19540	3.7
266.08090	1.7
277.14294	5.0
277.21591	2.9
295.20175	4.6
295.23480	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	295.1651
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.75665	0.4
55.05503	12.8
56.05033	2.2
57.03425	0.7
57.05800	1.2
60.04520	3.1
60.05638	0.5
67.10780	0.4
69.03419	0.7
69.07062	1.3
70.02927	0.5
70.06582	9.8
71.06925	0.6
71.09698	1.0
72.08145	100.0
73.02909	1.4
73.08511	1.0
74.06058	0.6
77.03927	0.6
79.05486	0.5
81.07054	0.7
83.05006	0.5
84.04498	3.9
84.08128	8.2
85.02899	1.9
85.08476	1.2
86.09694	12.2
87.10041	0.6
88.03986	1.7
90.05517	0.4
91.05464	6.8
93.07027	0.7
94.06551	1.7
97.02878	0.8
98.06091	0.5
99.04482	0.5
101.07117	0.6
102.05513	0.7
103.03938	0.8
103.05438	1.0
104.03343	0.8
105.03402	1.3
107.04946	0.9
109.06504	0.4
110.07156	2.9
112.08734	0.8
114.05475	0.4
115.03914	1.3
116.07079	0.6
118.06490	0.8
119.04929	9.7
120.08090	9.1
120.81029	0.4
121.06492	0.4
121.08463	0.8
126.05522	0.8
127.03854	0.6
129.10201	3.9
130.06538	0.6
130.08569	0.6
130.10522	0.5
132.10196	0.5
133.02827	2.5
136.07558	57.6
137.05960	21.7
137.07852	1.5
138.06339	0.9
143.11923	0.5
146.06013	2.5
147.04385	4.6
147.11366	0.5
150.07730	0.4
151.07065	1.5
156.07697	0.7
159.09157	0.7
166.08667	1.8
170.06058	0.5
173.12856	0.5
174.05455	1.0
179.03496	0.8
179.07014	25.7
180.07527	0.6
183.14944	0.5
187.14319	0.4
196.09662	72.2
197.09975	3.0
197.12776	0.5
225.76268	0.4
229.27039	0.5
235.14423	2.2
238.17838	0.5
255.54277	0.4
265.21048	0.4
277.14670	0.5
277.58188	0.4
295.11487	2.4
295.16425	7.2
295.19525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1899
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03937	0.6
53.53643	0.5
55.01853	5.7
55.05509	2.9
57.03429	0.7
57.07053	1.3
67.05496	4.5
69.07049	3.7
70.06584	0.8
70.87784	0.9
70.88189	1.0
71.04961	0.5
71.08613	0.9
79.05484	5.4
81.07041	29.2
82.07383	0.5
83.04963	2.1
83.08613	1.3
84.08101	0.5
85.06557	0.5
91.05457	2.2
93.07011	3.8
95.04934	0.8
95.08591	4.4
97.06518	1.0
101.09594	0.7
102.63110	0.5
105.07020	3.1
107.08569	3.0
109.06494	11.0
109.10128	2.5
111.03679	1.0
111.04417	11.7
111.08045	0.9
117.07004	0.5
119.08568	3.8
121.10126	3.7
123.08078	1.3
123.11681	0.8
125.05976	3.3
129.07040	0.6
131.08563	1.2
133.06479	1.0
133.10156	2.6
135.08018	1.8
135.11679	3.5
137.05954	100.0
137.13232	1.8
138.06291	2.3
143.08534	1.0
145.10184	0.8
147.08008	1.3
147.11679	5.1
149.09592	3.2
149.13206	0.7
151.07512	2.2
151.11116	0.8
157.10089	1.0
159.11674	0.5
161.09567	4.8
161.13232	1.9
163.11212	2.3
165.09091	1.7
167.10567	0.6
171.11649	1.1
172.02312	0.5
173.13268	0.7
175.11188	3.4
177.09114	0.7
177.12703	0.5
179.10629	1.6
189.12665	0.9
193.12160	1.6
203.17897	4.5
213.16356	1.9
221.18980	2.0
231.17395	7.7
241.15787	1.2
249.18454	10.5
277.17953	44.9
278.18280	1.1
295.18997	16.3
295.22296	0.9
296.19327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92812	1.2
53.19297	1.1
55.05509	9.9
57.06829	1.7
57.07067	19.9
62.57976	1.0
67.05505	11.0
69.07047	4.7
70.06593	6.6
71.04993	1.2
71.08612	2.6
71.69542	1.3
71.69952	2.3
73.06533	1.9
79.05464	6.9
81.07045	16.4
83.08588	2.8
84.08114	4.6
91.05464	6.8
93.07047	9.1
95.08591	11.7
97.10135	2.6
99.08093	3.0
102.98257	1.2
105.07012	4.3
105.39648	1.3
107.08575	5.9
109.10136	7.1
117.30251	1.1
119.08603	2.4
120.08085	2.1
121.02850	4.8
121.10107	5.1
123.08007	2.8
123.11677	4.2
125.09570	1.8
129.10260	2.0
133.10094	2.9
135.08009	1.4
135.11682	4.2
137.09593	1.7
137.13292	2.0
147.11659	2.5
149.02321	100.0
150.02699	1.6
151.11194	2.3
163.14798	2.0
167.03401	3.0
175.07487	3.9
203.06981	5.6
205.08537	1.4
217.19441	2.8
238.17915	2.3
240.19492	1.4
259.20355	1.8
277.14249	3.3
277.21616	11.4
295.22717	3.5
302.69507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92812	1.2
53.19297	1.1
55.05509	9.9
57.06829	1.7
57.07067	19.9
62.57976	1.0
67.05505	11.0
69.07047	4.7
70.06593	6.6
71.04993	1.2
71.08612	2.6
71.69542	1.3
71.69952	2.3
73.06533	1.9
79.05464	6.9
81.07045	16.4
83.08588	2.8
84.08114	4.6
91.05464	6.8
93.07047	9.1
95.08591	11.7
97.10135	2.6
99.08093	3.0
102.98257	1.2
105.07012	4.3
105.39648	1.3
107.08575	5.9
109.10136	7.1
117.30251	1.1
119.08603	2.4
120.08085	2.1
121.02850	4.8
121.10107	5.1
123.08007	2.8
123.11677	4.2
125.09570	1.8
129.10260	2.0
133.10094	2.9
135.08009	1.4
135.11682	4.2
137.09593	1.7
137.13292	2.0
147.11659	2.5
149.02321	100.0
150.02699	1.6
151.11194	2.3
163.14798	2.0
167.03401	3.0
175.07487	3.9
203.06981	5.6
205.08537	1.4
217.19441	2.8
238.17915	2.3
240.19492	1.4
259.20355	1.8
277.14249	3.3
277.21616	11.4
295.22717	3.5
302.69507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1285
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
55.05490	0.9
56.05020	1.6
57.03417	0.3
60.04499	1.5
60.05624	0.4
67.05499	0.4
69.03412	0.6
69.07053	1.5
69.54448	1.9
70.02922	0.4
70.06201	0.5
70.06583	8.9
71.04955	0.3
71.06918	0.3
72.08138	4.2
73.02906	0.4
74.06062	1.1
76.03983	0.6
77.03922	0.8
83.06101	0.4
83.08542	0.2
84.04492	8.3
84.08130	11.2
84.23574	0.2
85.02881	0.8
85.04877	0.2
85.08472	1.5
86.06107	0.2
86.09692	13.9
87.05581	0.6
87.10041	0.6
88.03960	1.5
90.05534	0.3
91.05456	1.4
93.07034	1.9
95.04952	0.7
95.08588	0.2
96.04422	0.2
97.02855	0.6
98.09665	0.2
98.21557	0.3
101.07080	0.5
102.05518	3.4
103.05445	4.7
105.03372	1.6
106.04137	0.4
107.04920	0.4
110.07143	1.9
112.07619	0.4
112.08722	0.8
115.08681	0.7
117.03205	0.2
119.04941	0.4
120.08085	100.0
121.08433	3.2
123.04395	1.5
129.10223	5.5
130.04985	3.4
130.07831	0.2
130.08604	1.3
130.10574	0.5
131.04933	0.3
131.08990	0.3
132.95815	0.9
133.02832	4.2
133.06168	0.3
134.03648	1.9
135.04401	1.2
136.07542	2.4
140.08159	0.3
140.63622	0.2
147.04387	0.8
147.11308	0.6
148.06030	9.2
148.11664	0.3
150.03085	0.3
150.96878	0.4
151.03844	1.2
156.07628	0.8
159.07597	0.4
161.02344	0.8
161.05971	0.5
162.03122	0.7
163.03882	2.9
166.08615	1.7
167.70470	0.2
174.96843	1.1
175.11919	0.9
179.03358	3.2
180.03955	0.4
182.08087	1.0
186.09203	0.3
186.96837	0.4
187.07239	0.2
189.05441	0.5
192.97949	0.3
193.04974	0.7
199.87157	0.3
201.24936	0.3
205.09610	1.2
214.13231	0.3
231.06546	0.5
232.09677	0.3
234.99011	0.6
249.12317	0.6
259.06073	0.4
277.07141	0.4
277.11768	1.4
294.68802	0.3
295.01212	0.4
295.12878	12.0
295.18469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1285
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
51.95862	0.3
53.03934	0.9
55.01854	1.0
55.05507	3.7
56.05026	6.4
57.03431	3.4
57.07069	0.5
58.03791	0.4
58.06598	0.6
60.04513	7.0
60.05632	1.0
61.01150	1.0
61.02908	2.3
67.05483	1.8
68.05031	0.7
68.99752	0.6
69.03420	6.4
69.07056	7.0
70.02938	1.3
70.06581	32.8
70.86956	0.9
71.01336	1.2
71.04987	2.9
71.06902	1.4
72.08143	21.9
73.02906	4.3
73.08478	0.8
74.02404	0.5
74.06065	5.6
75.05566	0.4
76.04000	2.3
77.03916	4.1
79.05487	1.0
81.03423	2.0
81.07043	1.5
82.06577	0.8
83.06096	1.4
84.04492	37.4
84.08131	28.8
85.02892	28.4
85.04853	0.6
85.06512	0.7
85.08440	2.4
86.09692	31.1
87.04442	0.6
87.05576	1.9
87.08102	3.6
87.10000	2.2
88.03980	5.4
89.02422	0.4
90.05524	0.7
91.03934	1.8
91.05460	11.3
93.07013	2.1
94.06550	1.1
95.04939	2.2
95.06107	0.7
95.08593	0.8
96.04488	0.5
97.02297	0.7
97.02876	7.7
97.06506	0.5
98.02398	0.5
98.05977	0.6
99.00862	0.5
99.04415	1.0
99.05582	0.4
99.08082	1.4
101.07096	1.9
102.05534	5.5
103.03979	0.4
103.05437	5.6
104.03448	0.4
104.05307	1.2
104.07095	1.3
105.03377	7.8
105.06995	0.9
106.04160	0.7
106.05014	0.6
107.01444	0.5
107.04934	3.4
109.02847	2.1
109.06458	0.7
110.06057	0.4
110.07150	7.6
112.07541	0.5
112.08725	2.9
112.09363	0.5
113.07112	0.7
115.03912	2.4
115.08671	1.5
116.07081	2.3
117.09121	4.4
118.08604	0.6
119.04921	7.6
119.62552	0.4
120.08083	100.0
121.06486	1.4
121.08412	5.6
122.07109	0.6
123.04414	7.0
125.07117	0.5
127.03897	6.4
127.04963	1.1
127.08681	2.0
128.07079	0.6
128.10683	0.5
129.06557	0.7
129.10217	16.1
130.04980	7.6
130.06523	0.7
130.08618	2.7
130.10564	1.3
131.04901	3.6
131.08148	0.6
132.08087	0.5
132.10181	1.7
133.02831	23.1
134.03590	3.1
134.04533	1.0
135.04414	1.0
136.07558	51.5
137.05936	0.6
137.07880	0.7
138.05507	0.4
138.06592	1.0
138.09084	0.5
138.12715	0.5
139.08687	0.5
140.07014	0.6
140.08119	0.7
141.06627	0.6
141.10222	0.6
141.56613	0.4
143.08136	0.5
143.11758	0.5
144.06509	1.2
144.10167	0.8
145.03909	0.8
145.04935	7.6
145.10214	0.4
146.06033	2.7
147.04349	2.3
147.07582	2.2
147.11246	2.7
148.06036	1.7
148.07925	0.5
148.11653	0.5
149.05956	1.8
150.03116	2.4
150.07730	14.8
151.03879	10.8
152.04239	0.4
152.06883	0.6
155.08142	1.5
155.11784	0.5
156.07622	0.5
157.09677	0.5
159.07806	0.5
159.09108	0.5
159.11328	0.7
161.02296	2.3
161.05972	1.0
162.03098	1.0
162.09157	0.5
163.03918	2.2
163.06013	0.9
164.07048	0.5
165.10268	0.6
166.08617	35.7
167.09134	1.1
169.13332	0.4
170.06088	0.4
173.09308	0.5
173.12836	1.4
174.05492	0.9
175.07425	0.5
175.11893	1.2
178.02621	0.6
179.03357	16.3
180.03906	0.9
182.08118	0.5
183.14951	1.0
184.07452	0.4
186.09103	5.6
186.12265	0.5
187.10764	0.7
187.14453	0.7
189.05441	0.7
190.06129	0.6
195.08711	1.1
195.11316	0.5
197.10323	1.7
201.12305	0.7
203.10307	0.5
211.14258	0.5
213.05432	0.7
214.12869	0.6
218.05641	0.9
221.06065	0.5
228.17116	0.5
229.11897	0.5
231.06511	1.2
231.09705	1.0
232.09665	4.7
235.07857	0.7
236.06656	0.5
238.17957	0.5
239.11276	0.5
244.14217	1.5
244.16530	0.5
246.05025	1.4
249.15936	0.7
253.13380	0.8
267.10107	0.5
272.17392	0.6
276.13422	1.0
277.03073	0.6
277.09177	2.2
277.11945	0.7
278.10196	3.6
278.13611	0.7
280.07455	0.4
280.44931	0.5
295.04440	1.3
295.09863	1.7
295.12842	7.4
295.16516	4.3
295.23630	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	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05499	0.3
56.04998	0.2
57.07050	0.5
57.11647	0.1
59.82272	0.2
65.03915	0.2
67.05492	0.6
69.19839	0.1
70.06587	0.2
70.56374	0.1
70.75921	0.3
70.76322	0.3
71.08613	0.3
79.05483	0.6
81.07041	1.9
84.08076	0.2
91.05465	0.5
94.04164	1.5
95.04940	0.2
97.06498	0.2
100.07618	0.1
102.44457	0.1
107.08572	0.3
113.29407	0.1
113.92796	0.1
122.03629	5.8
123.11700	1.3
125.09665	0.1
137.05954	100.0
138.06281	1.6
139.11197	0.3
141.12755	0.2
141.36967	0.1
143.49864	0.1
146.10455	0.2
158.15387	1.5
170.15375	2.7
209.90773	0.2
210.11983	0.2
222.08456	0.2
238.11510	0.3
238.17987	0.1
262.47000	0.1
276.20361	0.4
294.20831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15863	0.1
53.26352	0.2
54.11604	0.1
55.01862	0.2
57.07059	0.9
59.82233	0.2
62.10712	0.2
62.12676	0.2
65.03900	0.3
67.05479	0.6
69.07050	0.3
70.06580	0.2
70.06953	0.1
70.80547	0.6
71.08625	1.2
74.57947	0.2
79.05466	0.8
81.07026	0.9
86.90435	0.2
91.05452	0.8
94.04183	1.4
95.04944	0.3
95.08612	0.3
97.10178	0.4
107.04842	0.3
107.08601	0.2
110.01321	0.2
120.47430	0.2
122.03632	6.2
123.11617	0.2
137.05962	100.0
138.06319	1.6
141.12720	2.6
158.15373	1.2
170.15384	1.0
189.11188	0.3
199.71059	0.2
206.51881	0.2
216.09764	0.2
222.08733	0.2
276.20193	0.2
277.21600	0.4
294.20743	0.6
319.53271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.181
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
55.05511	1.2
56.05024	4.0
60.04515	1.3
60.05627	0.2
67.05497	1.1
68.05035	0.3
69.03412	0.3
69.07064	0.7
70.02908	0.3
70.06583	7.3
70.88381	0.3
70.88713	0.5
71.06908	0.3
72.04505	0.7
72.08144	4.8
73.02921	0.3
73.06542	0.3
74.06069	0.8
75.09814	0.2
76.04018	0.6
79.05461	0.2
81.03432	0.3
82.06564	0.6
83.06098	0.5
84.04496	4.9
84.08131	100.0
85.02896	1.3
85.06532	0.5
85.08450	1.6
86.06059	0.4
86.09702	5.2
87.05583	0.9
88.03990	1.0
89.07130	0.3
90.09190	0.5
91.05479	0.3
93.07021	0.5
95.04945	0.3
97.02882	0.5
101.07156	0.6
101.10747	3.3
102.05547	0.8
102.09190	0.5
103.05430	1.2
104.05339	0.3
110.07142	2.8
111.09200	0.3
112.07613	1.0
112.08751	0.4
112.65343	0.3
113.07111	0.3
114.09151	2.6
115.08693	0.6
116.07101	0.4
117.03351	0.3
120.08088	22.6
121.08420	0.7
127.03868	0.3
129.10223	23.5
130.04991	3.6
130.08629	6.5
130.10582	0.4
132.08138	0.2
132.10181	5.8
132.95793	0.5
133.10536	0.3
134.09618	0.3
135.04367	0.5
136.07582	0.7
141.10231	0.3
143.08174	0.7
144.95795	0.3
145.02838	0.3
146.08426	0.6
147.07639	2.6
147.11264	8.0
148.05960	0.2
150.96864	0.5
152.08209	0.5
162.97014	0.3
163.03889	1.8
164.04208	0.5
166.08568	0.6
168.53622	0.3
174.96912	0.7
180.07681	0.7
186.96883	0.4
191.08495	0.5
197.12718	0.3
205.09669	1.6
219.08139	0.4
221.02841	0.3
222.03151	0.8
231.14841	0.6
234.99052	0.4
237.65256	0.3
243.14667	0.4
253.00151	0.3
259.14450	0.9
260.12811	0.3
276.17105	1.5
277.12106	0.4
277.15405	5.4
294.05377	0.3
294.14700	1.6
294.18063	21.0
295.06616	0.3
295.12964	2.1
295.18369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1443
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
55.05486	0.5
56.05025	2.4
60.04518	1.0
67.05499	0.5
69.03389	0.4
70.06578	5.9
70.80520	0.7
70.80914	0.9
72.08141	2.5
74.06055	0.5
83.06062	0.5
84.04491	21.2
84.08126	31.0
86.09686	3.9
87.05547	0.4
88.03963	0.7
91.05442	0.6
93.07003	1.4
95.04997	0.5
95.59715	0.4
101.07112	3.4
101.10773	1.1
102.05508	1.5
103.05447	5.4
110.07135	1.3
115.08646	0.4
120.08082	100.0
121.08445	1.7
123.04445	0.4
129.10234	8.6
130.04980	34.6
130.08636	2.8
131.04877	1.9
132.95856	0.4
133.02818	0.6
133.07603	0.4
135.04398	0.7
147.07622	42.4
147.11247	3.4
163.03871	0.9
165.10216	2.9
174.96844	0.7
175.11810	0.5
185.00850	0.4
186.09145	0.6
186.96803	0.5
191.11826	0.5
195.58168	0.4
205.09612	0.6
234.99014	0.7
237.12529	0.4
240.08871	0.4
242.07996	0.6
259.10696	0.5
260.09109	1.0
276.13562	0.6
276.16730	0.5
277.08850	0.5
277.11835	7.3
277.15402	1.3
294.00641	0.5
294.14471	17.8
294.18085	6.9
315.26349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.90138	1.1
55.01856	1.3
55.05501	8.4
57.07051	5.3
58.80120	1.3
65.03941	3.0
66.44054	1.3
67.05496	80.5
69.07047	7.6
69.76959	8.6
79.05480	10.8
81.07047	100.0
83.04955	2.2
83.08594	4.0
85.06525	1.7
91.05467	4.5
93.07029	11.8
94.25438	1.3
95.04942	1.8
95.08595	79.2
97.06499	2.6
97.10155	3.0
99.08056	1.4
105.07028	3.6
107.08590	9.1
109.10142	46.0
111.08072	2.3
117.06956	1.6
119.08548	5.0
121.10136	10.6
123.08038	1.3
123.11693	38.0
129.09099	1.6
131.08551	3.5
133.10120	4.5
135.11679	5.3
137.09618	2.9
137.13235	12.5
145.10081	3.3
147.11653	5.7
149.09602	1.8
149.13226	4.2
151.11154	3.6
151.14795	3.2
153.05473	1.7
153.12738	1.2
159.11703	3.5
161.13268	4.3
163.11160	3.3
163.14801	2.1
165.12712	2.9
165.16380	1.6
173.05959	1.6
173.13258	4.6
177.12799	3.3
177.16380	2.1
179.14290	2.5
181.04877	2.5
187.14796	3.4
191.06969	1.6
191.10684	1.5
191.14259	2.8
195.13785	1.3
203.06958	3.4
205.15877	2.0
209.11739	4.3
209.15335	1.6
221.08067	16.8
223.16873	1.8
233.08109	1.9
233.22601	1.2
237.11197	10.0
237.18590	1.8
243.21114	8.7
261.22137	13.9
266.63297	1.1
275.12674	4.4
293.13834	3.9
293.24707	50.6
294.25113	3.0
303.56656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	5.7
54.21321	1.4
55.01869	7.8
55.05502	21.7
57.07052	3.3
57.21680	1.4
65.03934	2.0
67.05498	37.6
69.03390	1.5
69.07053	19.1
70.06606	3.6
70.33828	2.4
70.34225	4.5
71.04958	1.9
79.05483	37.2
81.03394	6.0
81.06575	3.4
81.07044	58.9
83.04951	5.3
83.08610	12.1
85.06533	2.8
91.05467	29.5
93.07027	32.4
95.04937	10.8
95.08585	28.1
97.06522	16.9
97.10142	9.1
98.08411	1.7
99.08048	3.0
105.07014	29.0
106.28822	1.6
107.04926	7.9
107.08577	44.4
109.06489	14.3
109.10139	19.2
111.08067	3.1
117.07011	10.0
119.08562	22.8
120.08086	1.6
121.06483	4.3
121.10127	15.3
122.09665	2.1
123.08054	5.6
123.11709	9.5
125.09618	9.2
129.06935	3.2
131.08566	13.4
133.10089	21.7
135.08032	5.4
135.11685	7.1
137.09569	6.3
143.08557	2.7
145.10103	9.9
147.11673	12.2
149.09590	13.6
149.13235	3.9
151.11162	5.6
153.09103	1.7
157.10147	1.9
159.11668	8.0
161.09561	3.0
161.13228	4.8
163.11151	9.0
165.09108	3.3
165.12804	3.3
171.11655	4.1
173.13261	7.1
175.11218	2.4
175.14879	1.9
177.12729	4.4
179.14235	2.8
183.11624	2.0
185.13191	1.7
187.11095	2.6
189.11150	5.2
197.13316	2.3
203.06937	1.9
215.17928	1.8
220.17050	2.9
221.08047	6.7
228.27646	1.7
229.19528	4.7
238.17969	5.4
239.18025	6.6
240.19707	2.0
247.20593	6.2
257.18994	15.0
275.20026	100.0
276.20331	4.9
293.20959	27.9
293.23706	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	5.5
55.01860	9.8
55.05504	58.7
57.07057	2.9
59.04995	2.8
67.05496	49.2
69.03417	6.4
69.07054	16.7
70.76511	8.0
71.04990	5.1
73.36879	2.0
79.05485	93.6
81.03419	3.6
81.07041	33.3
83.04977	26.5
83.08601	18.0
85.06531	3.3
91.05470	30.2
92.87746	2.5
93.07034	49.5
95.04963	9.8
95.08610	15.1
97.10155	22.3
99.08142	2.1
105.07014	33.9
107.04937	38.3
107.08581	70.6
109.06510	3.2
109.10145	22.1
111.08052	5.7
117.07012	8.5
119.08556	26.4
121.10131	19.4
123.08090	2.7
123.11711	9.4
125.09616	26.2
125.26902	2.3
129.07010	4.6
131.08563	18.4
133.10120	24.7
135.08057	10.1
135.11707	3.6
145.10083	11.7
147.11642	14.8
149.09601	92.8
149.13264	3.8
153.09096	3.9
155.10643	3.0
157.10120	4.1
159.11661	9.7
161.13228	8.6
163.11266	3.3
163.14778	4.0
169.10121	3.6
169.12228	6.0
173.11746	5.4
173.13217	6.3
181.04936	2.4
183.11757	2.9
187.11220	3.9
187.13274	5.5
189.11218	21.4
191.14421	2.7
205.12019	2.2
209.15247	10.3
221.08057	3.7
229.19560	9.8
233.15520	2.2
237.11177	11.5
239.17889	4.2
247.20499	4.3
257.19031	22.7
275.20004	100.0
276.20428	6.3
293.21078	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01854	4.5
55.05498	12.1
57.03432	1.5
57.07047	3.3
67.05492	24.5
69.03423	2.5
69.07047	18.0
69.48763	1.5
69.75764	10.0
70.06570	2.6
71.04980	2.0
79.05477	15.7
79.12944	1.3
81.03390	2.3
81.06596	2.4
81.07043	29.1
82.76865	1.4
83.04979	7.0
83.08598	5.0
85.06513	2.8
86.09693	1.7
91.05460	17.0
93.07028	19.8
95.04950	8.8
95.08583	18.8
97.06488	4.4
97.10146	2.4
105.07009	19.4
107.04906	5.7
107.08582	14.5
109.06484	11.0
109.10129	9.2
111.04441	1.7
111.08072	2.7
117.06973	4.9
119.08541	11.8
120.08083	1.4
121.06455	8.8
121.10113	6.6
123.08026	3.9
123.11687	3.1
125.09578	2.0
131.08546	12.8
133.06422	2.0
133.10098	15.1
135.08047	3.8
135.11693	4.6
137.06032	2.2
137.09547	2.2
141.06943	1.7
143.08490	2.3
145.06441	3.2
145.10086	9.0
147.07957	2.0
147.11633	8.1
149.09579	4.3
149.13257	3.0
151.11121	7.4
155.08508	3.1
157.10089	4.1
159.08020	1.9
159.11679	5.6
161.09552	2.4
161.13200	5.0
163.11174	3.9
169.10042	1.6
171.11739	2.4
173.05934	1.7
173.09552	1.5
173.13251	3.9
175.11169	2.6
177.05443	3.0
178.06210	1.6
183.11752	1.9
187.11203	1.7
191.06953	2.5
197.13232	2.1
201.12720	4.4
203.07022	5.0
205.08670	1.6
205.12198	1.8
219.13800	4.9
221.08057	22.1
233.08037	1.8
233.11687	3.6
237.11273	1.8
237.14856	2.0
239.17937	2.9
247.20567	2.7
257.18979	12.8
275.12741	5.5
275.20010	100.0
276.20285	4.6
292.71155	1.7
293.14108	6.7
293.21088	34.8
294.21564	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.09923	1.4
52.77591	1.4
53.03928	2.6
53.34201	1.6
55.01867	7.8
55.05256	2.5
55.05506	34.2
55.90431	1.3
56.40032	1.6
57.03421	4.1
57.07072	3.6
59.04989	1.5
65.03940	3.2
67.05495	42.0
69.03423	4.0
69.07061	18.1
69.88567	8.9
70.06586	2.0
71.04987	4.6
73.06517	1.4
79.05486	53.6
81.03414	4.8
81.07050	35.2
83.04975	7.0
83.08606	21.2
84.04500	1.7
85.06548	2.0
91.05471	36.8
91.10232	1.5
93.07038	29.6
95.04956	13.2
95.08594	28.2
97.06549	8.7
97.10161	22.2
97.33163	1.3
98.21494	1.5
99.04396	2.0
99.08109	1.5
101.06052	2.1
105.07018	39.6
107.04944	6.7
107.08585	100.0
108.08849	1.7
109.05832	1.3
109.06498	8.1
109.10143	15.6
111.08095	2.7
115.05443	1.7
117.07001	10.0
119.08568	24.9
120.08125	1.7
121.06547	2.0
121.10131	21.0
122.79658	2.0
123.08061	5.5
123.11694	4.7
125.09606	16.9
129.06984	2.6
131.08554	17.0
133.10117	22.0
135.08038	6.1
135.11665	4.9
137.05965	22.2
137.09581	11.4
139.11163	4.2
143.08582	3.4
145.10109	16.4
147.08032	1.5
147.11700	14.5
149.09592	14.9
151.11208	1.9
157.10162	4.3
159.11668	11.8
161.13254	5.1
163.11198	6.4
167.10692	1.4
169.10085	3.0
171.11687	4.2
173.11838	2.1
173.13284	5.2
175.11174	1.9
177.05486	2.6
181.12247	2.6
183.11768	2.7
187.11288	2.6
187.14760	2.4
189.11200	20.3
189.12732	2.4
191.10609	2.2
197.13145	3.6
203.07034	3.2
203.12759	3.3
205.12221	1.8
221.08093	8.2
223.13220	1.5
229.19431	2.3
233.15364	2.5
234.06973	1.4
237.11276	4.4
239.17888	8.0
247.20485	2.3
257.18973	12.2
275.12744	3.2
275.20047	99.3
276.20447	3.2
293.13892	3.5
293.18228	2.7
293.21152	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	4.0
55.01878	4.9
55.05507	15.9
57.03440	14.3
57.07071	2.9
67.05495	26.6
69.07045	10.2
70.06561	4.8
71.04982	7.6
71.48127	2.7
71.48463	4.0
73.06517	2.1
79.05479	46.1
81.07047	38.7
83.04976	3.4
83.08615	11.8
84.08125	3.1
85.06541	8.5
87.22252	2.1
91.05470	44.9
93.07027	58.2
93.07618	3.7
95.04967	8.7
95.08582	24.4
97.06509	3.3
97.10157	9.2
99.08090	3.6
105.07014	43.7
107.04944	3.4
107.08574	62.9
109.06516	9.0
109.10147	9.8
111.01466	2.1
111.08104	2.2
117.07017	13.7
119.08559	37.3
121.06522	3.0
121.10132	12.5
123.08037	5.1
123.11670	3.1
125.09631	6.0
129.06992	8.6
131.08540	16.6
133.10106	24.4
135.08037	4.9
135.11691	6.5
137.09627	3.3
141.06938	3.1
143.08578	5.8
145.10094	17.9
147.08025	3.4
147.11668	19.4
149.09607	9.4
149.13211	3.1
151.11221	2.8
155.08562	3.2
157.10123	6.5
159.11665	16.5
161.09586	2.2
161.13197	13.1
163.11134	7.6
169.10130	2.8
171.11649	4.5
173.13254	7.7
175.14813	4.1
177.12715	3.1
177.16263	2.2
183.11685	2.9
185.13232	23.6
187.14799	4.4
189.11168	4.8
189.12732	3.2
201.16409	5.4
203.14275	15.9
205.15886	8.2
219.17435	17.5
221.08009	13.6
221.15308	20.1
239.17970	11.2
243.25075	2.6
257.18982	19.4
275.12939	3.4
275.20029	100.0
276.20447	4.8
279.13492	2.3
293.14056	3.8
293.21210	10.0
293.27710	11.5
309.21024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.02550	1.3
53.03939	3.0
55.01865	7.6
55.05501	19.4
57.07055	2.7
59.05006	1.3
67.05489	21.8
69.03410	3.1
69.07056	13.3
70.06576	3.0
70.85703	4.0
71.04968	2.8
79.05481	39.3
81.03402	4.4
81.07046	18.2
83.04955	4.9
83.08605	14.2
84.08135	2.8
85.06525	1.5
91.05462	26.2
93.07023	18.9
95.04951	4.7
95.08596	10.8
97.06514	7.0
97.10150	17.4
103.05476	1.6
105.07005	28.9
107.04946	5.9
107.08571	100.0
109.06491	5.1
109.10145	6.1
111.08109	1.9
117.07037	6.7
118.38081	1.4
119.06046	2.2
119.08542	13.3
120.64076	1.3
121.10124	6.6
123.08057	3.6
123.11639	1.7
125.09631	14.6
131.08554	6.4
133.10112	17.8
135.08022	4.4
135.11674	5.4
141.06964	1.6
143.08577	2.2
143.10681	2.2
145.06451	1.5
145.10081	13.8
147.11606	9.6
149.09581	12.1
151.11081	2.3
153.12704	1.6
159.11681	7.7
161.09549	1.9
161.13242	5.2
163.11153	3.5
169.10159	1.9
171.11665	2.2
173.06038	2.0
173.13171	1.7
175.07504	2.1
175.11282	1.8
177.08986	3.2
181.12172	2.8
183.11559	1.6
187.11092	2.2
189.11174	15.0
197.13293	1.8
203.07013	2.4
215.06850	1.7
221.08072	17.2
231.33195	1.8
237.11198	3.3
238.18536	1.4
239.17941	3.9
247.20761	1.8
257.18945	11.3
275.12723	4.9
275.20023	93.2
276.20468	4.1
293.13782	4.3
293.21103	17.4
293.27673	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	293.1743
Annotation	6-Acetylfuranofukinol
Peak:m/z	Relative Intensity
55.01849	0.9
55.05486	1.9
57.07037	0.6
67.05480	2.7
69.03405	3.0
69.07038	2.0
70.06547	1.1
70.79178	1.5
71.04967	2.1
71.78516	0.5
79.05476	2.6
81.07050	5.1
83.04974	0.9
83.08572	0.7
85.06528	1.0
86.73189	0.4
87.66393	0.5
91.05466	4.6
93.07030	4.4
95.04944	4.9
95.08578	3.7
97.10147	1.1
98.98443	0.8
101.05965	0.5
105.07005	6.3
107.04931	0.6
107.08559	6.8
109.06495	9.1
109.10126	1.9
110.07211	0.5
111.74928	0.5
117.06979	4.4
119.08561	31.2
120.08038	0.7
121.06454	2.4
121.10110	1.7
121.86980	0.5
123.08028	1.5
125.09608	12.5
126.93352	0.5
129.06973	1.3
131.08546	9.0
133.06531	0.7
133.10083	1.8
135.08026	2.4
141.07021	0.6
142.07738	1.0
143.08543	2.9
145.06456	8.5
145.10100	20.4
147.08009	1.4
149.09631	1.4
153.07001	0.6
155.08566	2.7
156.09288	0.7
157.10097	5.7
158.07239	0.6
158.10860	1.2
159.08034	10.3
159.11652	5.5
161.09557	1.5
163.11121	1.1
167.08517	1.5
169.10069	2.6
171.07983	0.8
171.11671	1.1
172.12482	1.2
173.06018	0.9
173.09601	5.6
173.13208	2.2
175.07411	0.7
175.11133	1.4
182.10910	2.6
185.09576	1.4
186.10390	0.7
187.14786	17.9
189.12770	0.6
191.06984	0.9
197.13237	4.4
200.11986	2.4
203.06960	1.2
215.14276	100.0
216.14563	2.0
221.08022	5.6
233.15334	44.4
257.11707	0.8
257.18887	0.7
275.12726	2.3
275.16339	7.6
275.19952	2.0
291.13742	0.6
293.14322	2.1
293.17413	59.3
294.17780	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75741	0.6
55.01857	0.9
55.05496	3.9
56.05025	1.1
58.06584	1.1
59.04990	0.6
67.05497	3.8
69.07059	3.9
70.06582	9.6
71.04966	0.6
71.06934	0.8
72.08139	1.7
79.05483	2.2
81.07048	5.0
82.06581	1.3
83.08600	0.9
84.04505	2.7
84.08144	3.7
85.06531	0.9
86.09693	100.0
87.10033	2.2
91.05461	3.6
93.07023	3.7
94.06566	1.1
95.08588	5.1
96.08100	0.7
103.05461	2.0
105.07035	2.1
107.07314	0.9
107.08577	2.3
108.08098	1.9
109.06450	0.8
109.10139	1.6
110.07149	1.7
117.06966	0.9
118.06559	1.1
119.08574	1.9
120.08088	89.4
121.06509	5.1
121.08294	1.1
121.09000	0.9
121.10126	1.3
122.09656	2.1
129.10210	1.4
131.04893	1.4
133.10107	1.4
134.09671	1.1
135.04424	0.9
135.11673	0.9
135.90514	0.6
136.11183	2.9
147.11636	1.1
148.11237	0.7
149.02315	3.5
149.13252	0.8
159.11679	0.9
163.07495	2.7
180.10176	76.5
181.10506	1.4
187.01451	0.6
189.12692	1.2
203.06960	1.4
206.71767	0.7
207.13678	1.0
220.16820	1.3
221.08072	1.5
222.18524	3.3
233.16455	2.6
236.16402	0.7
238.17953	1.5
240.19543	15.4
241.19884	1.4
243.18983	3.7
246.18494	1.4
252.19565	25.6
252.69762	6.8
261.20059	4.1
264.19519	3.6
265.19724	0.7
284.17664	1.3
292.70151	0.7
293.13950	0.7
293.14539	0.8
293.18411	12.7
293.68188	1.2
294.18649	1.1
295.76379	0.6
301.69339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.97037	1.5
53.03939	4.3
55.01870	10.3
55.05502	22.3
56.71128	1.7
57.03429	2.9
65.03946	1.8
67.05157	3.1
67.05495	34.9
69.03425	2.7
69.07064	18.2
70.00996	1.5
71.04982	2.5
71.38625	3.7
79.05481	33.7
81.03410	7.5
81.06564	3.2
81.07046	63.4
83.04958	6.6
83.08607	11.1
84.08152	1.8
85.06537	2.1
91.05463	28.4
93.07038	31.7
95.01270	1.8
95.04967	11.8
95.08597	31.1
97.06513	14.6
97.10158	8.2
105.07019	32.2
107.04937	10.8
107.08577	35.0
109.06510	15.5
109.10151	14.6
111.08061	3.9
117.07024	7.1
119.08549	24.4
121.06467	4.1
121.10120	16.9
123.08047	6.3
123.11677	8.0
125.09610	8.7
129.07007	4.0
131.08542	13.3
133.10126	20.9
134.08441	1.5
135.08032	5.6
135.11693	7.3
137.09608	5.4
141.07034	1.4
143.08537	2.1
145.10085	13.5
147.11684	14.5
149.09625	12.7
149.13239	4.7
151.11172	5.8
153.09058	2.2
157.10089	2.7
159.11641	8.6
161.09535	1.8
161.13269	6.7
163.11113	8.9
165.09061	2.6
165.12752	5.2
171.11679	2.3
173.13263	4.4
175.09694	1.5
175.11224	1.8
177.12735	3.4
179.14200	1.7
183.11655	1.9
187.11166	3.3
189.11182	6.0
193.12233	2.5
196.34413	1.6
197.13388	2.0
213.16367	2.1
214.57858	1.6
215.17935	2.5
221.08189	3.0
229.19586	6.2
233.18970	1.9
239.17918	6.3
247.20570	7.2
249.18443	1.9
257.18961	16.8
275.20041	100.0
276.20352	5.9
293.21048	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	292.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01868	0.4
55.05235	0.2
55.05502	4.6
56.05029	0.6
57.03412	0.4
58.06586	0.6
58.50986	0.2
60.04509	0.2
65.03927	0.5
67.05496	8.5
68.05032	0.9
68.05825	0.5
69.07057	5.4
70.06580	5.3
71.04967	0.4
71.06933	0.3
71.65107	0.3
72.08137	0.6
74.06078	0.2
77.03953	0.2
79.05483	3.4
80.04999	1.0
80.05791	0.2
80.06241	0.2
81.05771	0.5
81.07043	4.1
82.06111	0.3
82.06566	2.5
82.07359	0.3
82.51067	0.2
83.08611	0.7
84.04490	0.7
84.08128	1.8
86.09689	2.2
91.05466	2.2
92.03123	0.2
93.05779	0.5
93.07030	3.2
94.06555	4.2
95.04942	0.6
95.07353	1.0
95.08595	5.2
96.08118	4.2
97.06489	0.3
97.08907	0.3
97.10173	0.3
98.05949	0.2
98.09690	0.3
103.81067	0.2
105.07018	1.9
106.06540	0.7
106.07250	0.2
107.07330	1.7
107.08559	2.0
108.08105	5.8
108.08797	0.2
109.06485	0.3
109.08953	1.1
109.10136	0.7
110.07135	0.6
110.09647	1.4
117.07018	0.6
119.08552	2.0
120.08098	4.1
120.08928	0.4
121.02811	0.2
121.06535	0.3
121.08877	3.5
121.10154	0.6
122.09656	8.5
123.08057	0.2
123.10413	0.8
124.11221	1.5
129.06969	0.2
129.10216	1.0
131.08574	0.5
132.08096	0.5
133.10091	0.3
134.09630	3.7
134.11336	0.2
135.10381	0.7
135.11644	0.3
136.11197	12.1
137.11435	0.9
138.09125	0.2
143.08540	0.4
145.10091	0.6
146.09648	0.7
147.11610	0.3
148.11188	2.3
150.12729	0.8
157.58470	0.2
160.11168	0.4
162.12762	0.9
163.11189	0.3
164.10738	0.2
164.14365	0.7
170.11745	0.5
174.12750	0.2
176.14297	0.9
185.13077	0.3
190.15894	0.7
192.13770	0.3
192.17477	0.7
194.15355	0.2
202.15895	1.0
204.13817	1.9
218.15419	1.3
218.18878	0.9
220.16934	12.5
221.17300	1.4
222.14854	2.6
223.15303	0.2
228.18205	0.2
230.16437	0.3
234.14832	0.2
236.16394	1.2
236.19949	0.3
237.17079	0.5
238.17978	23.7
239.18317	3.0
240.19543	0.2
240.86172	0.2
242.18243	4.1
242.68405	1.3
244.16974	0.3
246.18492	4.9
247.18854	0.6
250.17900	0.3
251.18771	100.0
251.68938	29.7
252.19156	2.1
256.19040	2.3
257.19238	0.2
260.19305	10.9
260.69492	3.1
262.17932	0.4
264.19550	17.7
265.19922	2.5
274.18427	0.2
282.20496	2.2
283.16873	1.9
283.19775	0.2
283.21042	0.3
283.66910	0.5
292.17368	26.5
292.67514	7.3
292.70157	0.2
293.17404	0.7
310.20029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1377
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03935	1.1
55.01850	0.5
55.05500	25.8
56.05825	0.4
56.76953	0.5
58.60765	0.4
65.03917	1.4
66.66902	0.4
67.05492	2.6
67.82159	0.4
69.07058	2.3
69.72477	3.3
70.06583	4.0
71.04967	0.7
72.08141	0.4
73.06541	9.3
79.05469	2.7
81.07036	4.3
82.06586	0.5
83.08576	0.7
84.04482	1.3
84.08117	1.3
85.02856	0.5
85.06466	0.5
86.09698	4.9
91.05464	4.1
93.03399	0.6
93.07027	2.7
94.06552	0.7
95.04954	1.0
95.08590	3.0
96.08125	0.6
97.06510	0.5
101.84045	0.4
103.05436	0.7
105.07020	2.5
107.04935	1.0
107.08556	2.0
108.08089	0.7
109.06508	0.8
109.10119	1.8
110.07084	0.7
111.04415	0.6
111.08073	0.7
115.22710	0.4
117.06982	0.8
119.08553	1.8
120.08080	14.0
121.02851	4.9
121.03944	0.6
121.06504	0.5
121.10130	1.7
123.11617	0.9
129.07004	2.9
131.08545	3.6
133.06456	0.4
133.10095	1.4
135.11661	0.6
137.09547	0.6
137.13240	0.5
143.04892	1.5
146.11743	2.2
147.08022	0.6
147.11699	0.9
149.02310	100.0
149.09624	0.5
150.02637	1.9
157.06491	1.1
159.11659	0.5
161.05952	5.0
161.09581	0.5
161.13298	0.6
167.03346	1.8
175.07513	19.2
176.07886	0.9
180.10182	1.8
185.05908	0.7
190.05035	0.4
203.06990	27.5
204.07382	1.0
220.16872	1.1
221.08044	2.6
238.17993	1.9
239.68900	0.6
240.19547	1.3
241.19849	0.6
275.12762	6.0
275.19998	2.2
284.17502	0.6
292.69217	1.9
293.13950	5.5
293.17603	3.6
293.21527	2.0
293.24271	0.7
293.69348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03929	3.0
55.05503	14.5
57.07059	4.5
60.01076	1.4
67.05492	35.4
69.03452	1.6
69.07060	18.1
69.97785	1.5
70.12467	8.6
71.08630	1.5
73.06560	1.7
79.05481	68.6
81.07045	45.8
81.07523	2.5
83.04977	2.2
83.08619	7.8
85.06530	4.0
91.05466	21.5
93.07027	100.0
95.04961	8.2
95.08593	34.5
97.06519	3.9
97.10143	5.2
98.98444	2.0
105.07012	15.6
107.08574	54.6
109.06493	2.3
109.10139	19.3
111.08012	1.6
112.50043	1.6
117.06985	5.1
119.08559	14.9
121.10122	45.3
123.08022	2.7
123.11697	5.7
129.07008	2.7
131.08553	5.8
133.10117	13.2
135.07950	1.6
135.11671	61.7
145.10098	5.2
147.11659	9.9
147.12672	1.6
149.09587	4.0
149.13234	34.7
151.11263	1.9
157.10133	2.7
159.11682	6.1
161.13216	9.4
163.11145	2.9
163.14801	8.7
171.11696	3.5
173.13205	2.2
175.14796	4.5
177.12700	3.0
177.16351	1.7
183.11635	1.6
185.13263	3.2
189.12715	2.6
195.13777	1.8
199.14835	2.5
203.14337	2.2
209.15320	1.9
213.16461	2.8
217.15976	2.3
241.19450	5.0
249.18456	5.5
259.20566	11.6
291.19983	5.1
291.23138	87.9
292.18958	2.8
292.23480	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	292.1289
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
51.90234	0.5
55.05478	1.9
56.05020	4.6
60.04521	34.7
60.05622	0.8
61.01123	2.0
61.47493	0.5
64.10610	0.5
67.05482	0.7
68.05009	0.6
69.03415	0.8
69.07034	1.7
69.44940	4.2
69.45370	1.8
70.02951	4.0
70.06584	42.4
71.04961	0.7
71.06891	1.7
72.08149	11.4
74.02419	0.7
74.06071	3.6
76.02204	0.7
76.03989	0.9
81.07013	0.9
83.06084	1.3
84.04050	0.7
84.04499	12.5
84.08137	19.6
85.02890	0.6
85.04020	4.7
86.06031	0.8
86.09218	1.0
86.09697	16.8
87.05553	1.9
88.03957	1.6
90.05521	0.6
91.05440	3.2
93.04504	0.8
93.07066	0.7
95.06081	0.8
95.08591	0.7
97.02876	0.7
98.06043	1.1
101.07116	1.6
102.05538	2.7
104.05281	2.1
104.07108	0.9
107.08600	0.7
107.32597	0.6
110.07156	13.3
111.07429	0.7
111.08111	1.1
112.07563	1.8
112.08727	1.6
113.07114	5.7
115.05022	9.3
115.08679	1.3
116.07093	3.2
117.06990	0.6
118.06534	9.7
119.04928	1.7
120.08089	5.4
122.02713	1.7
129.06584	0.8
129.10225	8.5
130.05031	2.9
130.06503	12.0
130.08635	1.0
130.10553	0.8
132.08075	13.6
132.10185	0.9
133.04259	0.6
136.07547	3.6
138.06570	0.8
139.08670	0.7
141.10164	1.7
142.06514	1.8
143.07310	1.0
143.11760	0.8
144.06741	1.1
144.08055	13.4
144.09892	0.5
145.02817	1.4
145.06473	0.9
146.05992	54.6
147.04396	2.4
147.06328	1.7
147.11299	1.0
148.06020	1.7
154.08589	1.5
156.07640	5.4
157.10876	0.9
158.08356	1.8
159.08025	0.5
159.09157	11.8
159.11191	0.7
160.07542	1.5
161.07436	1.6
162.07596	0.6
164.07281	0.8
166.06050	1.0
167.08154	1.0
169.09763	2.0
169.13385	1.0
170.05984	6.5
175.11856	1.0
177.05479	2.0
183.09152	1.9
183.14919	0.9
184.07436	0.6
187.08702	3.2
187.10924	0.6
188.07048	100.0
189.07359	3.7
194.99535	1.2
197.05946	0.9
201.05600	0.7
201.10365	0.8
205.09709	51.1
206.10100	1.2
217.09703	0.7
221.07965	0.9
222.12413	0.6
225.09877	0.8
229.09798	0.7
233.08067	0.8
240.13597	0.7
241.02809	0.7
245.09215	3.5
246.12361	13.1
256.14389	0.5
261.07611	0.8
274.12018	6.3
274.20331	0.7
274.64496	0.6
292.12930	33.6
292.16342	1.7
292.19119	3.1
293.08182	0.7
293.13565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	15.2
67.71812	8.7
69.03423	22.0
70.06585	34.4
70.20198	38.2
72.08157	24.7
74.06066	13.6
80.32753	7.6
84.04504	36.7
84.08121	12.4
85.02911	41.5
86.09706	24.3
87.10038	12.4
94.93014	6.5
95.01296	8.6
97.02880	27.9
98.90336	7.5
101.00867	18.0
102.05524	9.0
102.70220	7.3
103.02441	12.9
116.07077	8.7
116.39043	8.5
118.06839	12.7
119.01896	41.7
119.14642	8.1
121.01643	41.9
121.03491	16.4
127.03922	17.5
129.10196	11.7
131.01915	13.1
133.03448	33.5
135.03218	14.5
139.02701	9.1
143.01886	18.8
144.06538	12.7
145.03471	19.1
145.04924	13.9
149.02966	7.9
150.96877	8.6
151.04526	15.6
153.04202	8.2
161.02969	31.4
163.02690	10.2
173.02989	23.6
173.12915	9.1
174.13184	9.7
175.48607	8.1
177.03972	9.2
188.14766	11.0
189.00804	8.8
190.04036	8.1
202.12646	13.6
217.00075	13.4
217.01973	23.8
219.03545	10.6
231.03513	16.2
251.49615	7.8
271.06537	9.8
273.10776	9.8
281.26309	7.7
291.08206	66.8
291.11087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
54.83652	1.9
55.05498	8.2
57.05825	1.6
57.07065	4.5
59.04976	4.6
60.04518	1.9
67.05499	7.9
68.04391	1.6
69.03412	3.8
69.07042	7.1
70.06583	10.3
71.04986	3.2
71.26536	4.1
72.08140	2.1
78.68893	1.5
79.05485	8.9
81.07056	13.3
83.04952	4.0
83.08598	5.7
84.04519	1.8
84.08112	4.5
85.02872	3.0
85.06523	2.7
86.09677	3.9
86.93595	1.5
91.05453	11.5
91.12399	1.6
93.07046	15.3
94.47775	1.8
95.04939	7.5
95.08587	17.9
97.06519	4.7
98.98461	2.9
105.07022	10.5
107.04936	8.2
107.08590	11.2
109.06512	9.8
109.10136	5.3
110.07138	2.1
111.08069	27.7
117.06989	4.4
119.08572	13.7
120.08088	1.8
121.10119	9.2
123.08061	37.3
123.11690	2.3
125.09556	2.1
129.10196	2.0
131.08554	6.1
133.06467	4.4
133.10124	7.6
135.08051	10.2
135.11655	3.8
137.09598	5.4
142.07820	2.1
143.08546	4.4
145.10106	18.2
147.08012	3.1
147.11641	8.1
149.09590	6.9
151.07523	100.0
155.10727	2.2
157.10074	4.8
159.08025	2.6
159.11694	7.4
161.09630	5.8
161.13310	2.9
163.11153	4.3
171.11703	4.4
173.13280	4.8
174.10333	1.7
175.11195	5.4
177.09140	3.0
177.12621	2.7
179.10661	6.1
185.13251	3.1
187.11191	5.5
187.14706	2.2
189.12741	26.3
191.14278	5.5
192.11491	3.7
197.11723	15.7
197.13216	3.4
203.14230	3.7
207.13783	61.4
213.16330	3.4
215.14291	7.5
229.23482	2.8
231.17474	2.1
233.15334	16.2
235.13318	1.9
238.18149	2.2
240.19618	3.5
245.18890	2.0
249.18584	2.6
255.17351	3.6
273.18460	13.6
291.19540	59.6
291.26981	9.0
292.19427	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	289.2369
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.05303	2.2
55.05505	24.7
57.07060	19.8
64.13083	2.9
67.05494	19.6
69.07059	35.4
70.06575	20.8
70.51753	2.7
70.59520	10.4
71.04974	4.9
71.08610	2.7
79.05489	13.4
79.05878	2.7
81.07043	23.7
83.08617	20.4
84.04483	4.3
84.08112	5.3
84.68794	2.4
85.06508	3.1
86.09700	3.8
88.07619	15.4
90.58105	2.2
91.05460	8.7
93.07043	13.2
95.04904	2.6
95.08597	32.8
97.06490	7.0
97.10159	25.5
99.08108	2.9
101.89323	2.7
102.09144	11.8
105.07008	9.9
107.08601	13.7
109.06501	3.5
109.10136	14.9
111.08106	5.7
111.11718	12.2
119.08556	7.7
120.08073	4.0
121.10131	11.8
123.08051	3.8
123.11673	6.2
127.03828	3.3
133.10109	12.5
135.11665	11.3
137.09535	3.0
137.13220	4.2
139.11163	4.6
147.11661	7.2
153.12756	4.2
157.12326	2.6
161.13144	5.9
165.12817	2.5
175.14700	5.6
191.18039	2.9
217.19456	16.7
228.23206	40.9
235.20525	21.6
238.17941	3.5
253.21600	15.1
289.17947	3.5
290.26859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1747
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05502	1.1
55.94294	0.4
56.05030	2.2
56.96559	0.7
57.07082	2.0
58.06581	1.2
65.03930	1.5
65.14240	0.4
67.05494	8.6
69.07056	4.6
70.06570	1.1
70.65781	1.6
71.08614	0.8
74.06062	1.8
75.45889	0.4
79.05485	2.4
81.03465	0.4
81.07043	2.3
82.06563	3.0
83.04956	1.0
83.08613	0.5
84.04517	0.6
88.07621	6.7
91.05483	0.7
93.03393	1.1
93.07047	3.1
95.08588	1.5
97.06516	2.4
105.07008	0.4
107.08583	3.3
109.10139	0.9
110.06028	32.7
111.04421	7.4
117.06994	0.4
118.08649	1.3
122.08126	0.7
123.04409	0.7
131.66237	0.4
133.10147	0.5
135.11676	4.6
137.05974	1.0
138.05479	100.0
139.05826	0.9
140.53514	0.4
145.06514	0.5
153.12689	0.7
163.07539	1.0
226.11073	2.3
228.23212	0.8
238.18002	0.6
242.24738	7.9
244.12199	2.3
267.13828	0.6
272.25995	0.7
273.14694	0.6
290.12338	1.2
290.17371	6.2
290.26859	22.7
290.29361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18435	0.8
55.01862	1.7
55.05498	5.1
56.05028	12.9
56.96545	3.9
57.03430	2.0
57.07066	1.3
58.06588	3.6
58.99573	1.6
60.04520	13.2
60.05637	3.2
61.01142	3.2
61.02902	1.4
61.04855	0.9
67.05486	2.6
68.05013	1.2
68.68164	0.8
69.03424	6.9
69.07060	2.4
69.78845	4.0
69.79269	2.7
70.02940	2.1
70.06584	100.0
71.06926	4.9
72.04516	1.2
72.08147	22.2
72.93762	2.6
73.02901	2.6
73.08483	1.9
74.00647	1.5
74.02435	2.2
74.06071	13.2
75.06389	1.7
76.03998	1.9
77.00909	1.5
79.05480	1.7
81.03405	2.9
81.07043	2.3
82.06563	3.5
83.04974	1.5
83.06097	3.4
84.04498	32.6
84.08133	61.3
85.01424	0.9
85.02896	11.4
85.04800	1.1
85.06523	1.9
85.08450	2.0
86.06068	2.2
86.09697	42.8
86.99026	1.2
87.04488	1.0
87.05574	3.2
87.09467	1.1
87.10022	15.9
88.03976	7.6
90.05537	2.5
90.94823	2.1
91.05441	5.1
93.04510	1.7
93.07030	1.3
94.06566	1.0
95.01330	0.9
95.04963	1.3
95.06068	2.3
96.08120	1.0
97.02891	8.7
97.06535	1.0
97.07643	1.6
98.02380	1.0
98.06056	4.5
98.98445	2.0
99.04438	1.9
99.05540	1.0
100.02174	1.2
101.00861	1.8
101.07112	1.8
102.05547	7.7
103.02435	16.8
104.02516	1.5
104.05312	3.6
104.07114	2.3
106.04999	1.6
107.04918	1.9
109.02836	0.9
110.06000	1.9
110.07154	26.4
110.09661	2.4
111.04408	1.2
111.05571	1.3
111.06303	1.1
111.07477	1.8
112.07596	2.9
112.08721	6.3
112.11217	1.4
113.00851	1.1
113.07130	1.8
114.05528	1.5
114.10260	1.2
115.08682	11.6
116.01669	3.2
116.07071	5.6
116.09035	0.9
116.98590	0.9
117.03333	1.3
119.01918	7.9
119.04936	3.2
120.01187	2.1
120.08080	12.1
121.01663	4.0
121.03471	20.6
121.08430	1.4
122.03605	1.0
123.04414	3.2
123.05493	0.9
124.07555	1.5
124.08604	1.2
125.07064	2.0
126.05554	2.6
127.03894	3.4
127.04988	1.6
127.08653	8.1
128.07033	1.3
129.03966	3.4
129.05460	10.4
129.06497	1.9
129.10219	32.0
129.99545	1.6
130.05000	5.1
130.06577	1.2
130.08614	6.7
130.10599	1.7
131.01888	15.3
131.08138	1.8
132.01125	2.8
132.10202	2.1
132.95831	2.9
133.03432	3.4
133.06082	1.3
133.10481	1.0
134.99615	0.9
135.03354	1.1
135.04408	2.7
136.07565	11.9
137.02962	2.0
137.05928	3.9
138.06573	2.4
138.09099	1.1
139.02623	1.9
139.08670	1.2
140.07109	1.0
140.08156	1.7
141.01810	0.9
141.06473	1.7
141.10202	1.8
142.03310	1.5
143.01878	1.3
143.08096	4.3
144.01065	1.1
144.06590	6.2
144.10167	1.2
144.13824	2.9
145.03604	1.5
145.04962	1.7
146.02724	1.1
146.97327	1.3
147.01373	9.8
147.03314	1.1
147.04202	1.1
147.05205	4.7
147.11249	3.3
149.02942	6.8
150.05804	1.1
150.96873	5.0
151.04500	1.8
155.01915	1.6
155.08159	1.5
156.07655	3.9
157.03453	10.9
157.09651	1.1
157.13324	8.4
158.03880	1.3
158.09209	1.2
158.13707	15.3
159.07646	2.8
160.00517	1.2
160.07875	1.2
161.01192	1.0
161.02945	5.8
161.09244	1.8
163.02713	2.2
163.03915	5.1
165.02492	1.7
165.04121	1.2
166.06183	1.1
169.09734	1.1
170.07959	1.1
171.04996	1.5
173.02905	12.6
173.09261	2.7
173.12852	2.4
174.11409	0.9
174.13156	2.5
174.96931	1.7
175.01007	1.5
175.04498	9.0
175.08989	4.1
175.11836	2.8
178.09111	1.6
179.07040	1.2
180.04842	1.1
181.09686	1.7
183.04991	1.9
185.02946	3.8
185.12877	3.2
186.13298	5.1
188.00082	2.2
188.07492	1.4
188.14716	2.2
189.00737	1.7
189.02458	2.5
189.08667	1.5
190.01640	1.9
191.03903	1.8
191.07687	1.4
192.97902	1.2
193.01868	3.4
193.03503	5.7
193.09618	1.1
195.04900	1.4
195.11305	1.9
196.04478	1.4
201.02393	6.7
201.06587	1.3
201.12283	1.2
202.05421	2.7
202.12683	2.3
203.03922	3.7
203.08643	2.1
209.02898	1.2
211.00888	1.2
211.04474	2.4
213.06078	2.8
214.39627	0.9
216.14153	3.4
219.03477	5.4
219.63924	2.2
220.13864	1.9
221.03033	6.6
221.04900	1.8
224.04002	1.0
224.98483	1.1
226.15506	1.5
227.00427	1.1
229.01929	11.9
230.95851	1.4
231.03529	1.6
231.06573	1.3
234.98889	0.9
236.09332	1.2
239.04044	5.4
240.13330	1.9
244.16502	3.5
245.05267	1.6
246.04391	1.2
247.02681	1.4
247.04794	1.4
247.14427	1.3
249.04852	1.1
251.15100	1.1
252.97925	3.0
255.09804	2.5
257.04901	1.8
265.05557	2.0
268.17108	2.2
273.00821	5.2
273.07968	1.2
273.16345	2.5
280.06381	1.6
283.06625	1.4
291.01669	4.9
291.08344	26.8
291.12842	1.5
291.16724	2.7
292.04825	2.7
299.09741	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.164
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.03933	3.4
54.91590	2.4
55.01872	4.1
55.05502	13.5
56.05012	2.8
67.05495	15.9
69.03394	4.7
69.06789	1.7
69.07061	19.1
69.38493	20.7
70.06576	17.6
71.04967	9.8
72.08160	4.1
79.05487	25.1
81.06596	3.3
81.07046	49.8
82.06573	2.5
83.04976	14.4
83.08593	7.7
84.04492	12.7
84.08118	5.8
85.02884	4.7
85.06522	9.9
86.09681	8.9
91.05457	21.1
93.07024	57.9
94.06541	2.9
95.04951	15.1
95.08586	28.1
96.04494	2.0
96.08099	2.8
97.05929	2.4
97.06517	30.0
99.04439	12.7
101.05984	2.8
103.03939	2.8
105.07013	35.7
107.04931	6.7
107.08562	32.9
108.08103	4.3
109.06500	26.9
109.10131	8.0
110.09610	2.9
111.08070	15.6
113.06013	5.2
117.06963	3.4
119.04903	2.5
119.08553	29.9
120.08060	15.0
121.06482	86.5
121.10116	10.5
122.09655	2.1
123.04369	3.3
123.08039	7.5
123.11675	8.2
125.05933	10.2
125.09530	2.2
127.07537	13.3
128.06172	2.9
129.07005	4.8
130.04947	3.0
131.08522	7.3
133.06438	5.7
133.10126	18.6
135.04308	4.7
135.08020	15.5
135.11609	2.4
137.05977	5.1
137.09586	3.2
139.07504	24.4
141.05455	3.7
141.06969	3.2
142.07756	2.6
143.07034	10.0
143.08525	7.7
145.10098	9.1
147.08022	4.2
147.11659	58.6
148.07578	2.7
148.60329	2.2
149.13264	3.4
151.07457	4.4
151.11143	6.7
153.09001	2.6
155.08501	2.2
157.08589	13.4
157.10095	18.4
159.06528	3.3
159.11662	3.2
161.09651	2.6
161.13258	12.5
164.07043	15.5
165.12717	19.5
169.12184	10.0
171.11626	15.1
173.09486	2.3
175.11130	33.8
181.10094	2.3
184.11223	2.2
189.12703	18.9
193.12212	34.6
199.11136	27.3
207.13750	18.3
211.13240	33.2
217.12190	100.0
218.12547	4.4
220.16916	8.3
229.14247	7.6
235.13260	98.3
236.13734	2.8
236.16325	3.5
238.18033	10.3
240.19534	10.1
241.19968	3.0
253.14290	67.5
254.14645	2.5
271.15033	3.7
272.18167	2.9
279.21722	2.7
289.05942	13.7
289.14978	12.0
289.17377	2.9
289.24869	2.4
289.43045	2.2
289.69855	2.7
290.08875	3.1
290.18573	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	289.143
Annotation	Adenostylol
Peak:m/z	Relative Intensity
50.91026	0.4
55.01853	1.4
55.05500	7.3
55.89328	0.4
57.07045	0.4
67.05492	0.7
68.74306	0.4
69.03416	9.2
69.07035	1.6
70.06557	0.8
70.23962	2.3
71.08652	0.4
72.08956	0.5
79.05477	1.2
81.07048	1.0
83.04968	52.3
84.05276	0.6
91.05478	1.2
93.06998	0.8
95.04953	2.2
97.06506	0.9
102.44021	0.4
105.07003	1.5
109.06516	2.4
113.66186	0.4
115.05441	0.8
117.06987	1.1
119.08587	2.6
121.06460	2.1
123.04422	0.7
127.03907	0.9
128.06242	0.8
129.06993	0.7
131.08554	3.4
133.06500	1.0
141.06985	1.3
142.07748	1.3
143.08589	2.8
145.06467	5.8
145.10083	2.2
147.08022	4.8
153.06953	1.4
154.07780	0.5
155.08519	4.9
157.06451	0.5
157.10101	1.1
158.10838	1.1
159.04391	2.6
159.08014	5.0
159.11662	1.3
168.09323	5.0
169.06422	0.7
169.10072	0.8
171.08038	1.5
172.08823	2.3
173.05969	4.9
173.09615	1.2
173.13185	2.3
178.07779	0.9
181.06461	1.8
182.07256	2.0
183.08023	1.1
183.11678	7.9
185.09563	1.7
186.10385	1.6
187.07516	1.5
187.11127	4.1
193.10112	2.1
196.08807	8.8
199.11174	0.7
200.08264	1.2
201.09157	0.6
201.12730	11.1
202.13040	0.5
211.11154	17.9
214.09872	1.6
222.22610	0.5
229.12209	46.3
230.12549	1.9
247.13263	100.0
248.13611	3.8
289.29312	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	289.1542
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
52.62797	0.4
54.83852	0.4
55.01856	0.9
55.05505	3.4
57.03415	0.7
57.07080	0.5
58.06595	0.5
62.93583	0.4
67.05496	3.3
68.77496	0.4
69.03400	0.7
69.07058	3.5
69.28599	4.6
70.06580	5.0
70.18276	0.4
71.04980	0.8
72.08138	1.3
73.02917	0.5
77.49220	0.4
79.05489	4.1
80.04990	0.8
81.03407	0.5
81.07043	6.7
82.06576	0.7
83.04955	0.6
83.08602	1.4
83.43105	0.4
84.04484	4.4
84.08132	2.3
85.02891	1.2
85.06507	0.6
86.09681	2.2
88.17612	0.4
91.05466	7.1
93.07028	4.1
94.06543	2.5
95.04944	1.3
95.08596	4.7
95.22858	0.4
96.04430	0.4
96.08105	3.1
97.06546	1.0
97.10155	0.7
98.06038	0.5
103.05454	0.6
104.04954	0.6
105.07004	4.2
106.06498	2.0
107.04989	0.5
107.08549	3.1
108.08111	2.2
109.06506	1.6
109.10120	2.3
110.06026	0.4
110.07142	0.7
111.04436	0.8
111.08076	0.7
115.05363	0.5
116.04980	0.7
117.05747	0.8
117.07003	1.5
118.06520	4.9
119.01987	0.4
119.07339	0.8
119.08579	2.5
120.08082	15.2
121.06466	0.6
121.08431	0.7
121.10090	2.2
122.09657	1.5
123.08068	1.0
123.11713	0.8
124.06715	0.9
124.07576	11.7
124.11198	0.6
126.05470	1.1
126.09139	1.2
127.03914	1.3
128.06180	0.4
129.06996	1.2
129.10194	0.6
131.08511	2.5
133.05217	0.5
133.10095	1.7
134.05981	5.9
135.11644	1.1
136.07541	6.1
138.05487	2.1
141.06950	0.6
143.08484	1.5
145.10062	3.3
146.05946	4.2
147.06775	2.0
147.08029	1.1
147.11653	1.2
148.07550	12.6
149.09612	0.5
149.13206	1.1
150.09195	0.5
152.07057	1.6
152.14285	0.6
155.08585	0.7
157.10092	0.8
159.07971	0.6
159.11607	2.7
161.09584	1.1
163.14880	0.6
164.07037	100.0
165.07521	2.1
165.12862	0.5
166.08600	3.2
169.10107	0.7
170.09731	0.5
171.11655	0.6
173.09607	0.5
173.13203	1.3
175.15018	0.4
181.37091	0.4
185.13260	0.5
187.11104	0.8
198.09161	0.5
200.10728	0.6
200.14091	0.5
211.14749	0.7
214.10912	0.5
215.15619	2.3
215.17650	0.5
216.10246	2.6
220.16914	2.1
225.13936	0.6
229.13406	1.5
236.16345	0.7
238.17947	3.6
239.18646	0.6
240.19521	3.1
241.19809	0.5
243.14899	5.5
245.16437	2.9
253.13362	1.4
253.15692	0.5
254.11696	1.0
256.19186	0.5
271.14365	21.6
271.16879	1.8
271.24115	0.6
272.14880	0.7
288.68924	1.6
289.06195	1.7
289.15387	89.9
289.25333	2.7
289.69385	1.9
290.08609	0.6
290.15656	3.5
290.19006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01863	2.9
55.05495	3.2
56.05016	2.3
57.03428	5.0
58.99845	1.8
60.04500	4.2
60.05618	3.4
61.02908	3.6
69.03069	1.0
69.03421	14.6
70.06581	23.0
70.66580	3.0
71.04971	3.2
71.06909	1.8
71.50890	0.9
72.08147	22.6
72.93763	2.1
73.02907	7.6
73.08469	3.9
74.06061	3.5
76.49353	1.0
77.00909	1.5
79.77725	1.0
80.05844	1.0
81.03398	5.8
82.99803	2.1
84.04482	5.5
84.07616	1.1
84.08134	30.8
85.02896	33.3
85.08460	1.6
86.03218	2.0
86.09695	19.0
87.04445	2.0
87.05589	2.3
87.10012	5.7
88.03973	2.7
89.91878	1.0
90.94793	1.1
91.03933	2.0
97.02886	12.9
98.03204	1.4
98.05960	1.0
99.04438	5.2
101.00866	15.8
101.02377	2.0
101.07115	2.2
102.05546	1.5
103.02448	1.8
105.00324	1.1
107.04928	1.1
108.95850	1.5
109.02860	5.7
110.07117	1.7
112.07561	2.4
112.08728	2.1
113.00832	1.8
115.02423	15.0
115.03914	0.9
115.08648	3.1
116.07066	4.4
117.03967	1.5
119.01907	100.0
120.01987	3.6
120.08066	1.1
121.03185	0.9
124.02389	1.1
127.03905	31.3
127.04880	1.5
127.08626	2.3
128.04234	1.3
129.03967	3.6
129.04971	1.4
129.06558	1.3
129.10223	14.5
130.04947	2.9
130.08604	4.1
131.01900	8.7
132.95819	7.1
133.01619	1.0
133.03456	27.1
133.06055	1.7
135.05035	3.1
137.02939	33.9
142.03484	3.2
143.01877	11.7
144.01930	2.0
144.95818	4.7
144.99825	5.0
145.01569	1.4
145.03447	8.9
145.04915	7.0
147.01402	1.9
147.05043	8.6
147.07631	1.6
147.11209	5.9
147.54167	1.0
149.02966	5.2
149.98470	1.7
150.96870	4.7
151.04504	5.1
152.07013	1.2
153.03949	1.2
155.01826	4.4
156.11330	1.2
157.03458	3.3
157.11682	1.1
158.09268	2.1
158.97411	1.7
160.04457	1.1
160.82040	1.1
161.02953	36.5
161.09154	1.5
162.03131	4.6
162.04431	1.3
162.54636	1.0
162.96907	5.7
163.02672	2.1
163.04503	1.9
168.99834	7.1
169.01115	1.0
170.97314	2.1
171.01344	4.9
171.05038	1.3
173.02916	13.3
173.04111	1.4
173.12822	1.1
174.03114	1.8
174.04526	1.3
174.96855	10.4
175.00977	2.1
175.02626	2.4
175.04501	2.7
175.11900	6.1
176.12201	2.0
176.98447	1.6
177.02477	1.7
179.03989	2.9
183.05029	3.8
184.04582	1.9
185.02965	5.3
185.04402	1.1
186.16759	3.9
186.96890	10.9
187.00862	22.7
187.02570	1.6
187.04445	1.8
187.97025	1.3
188.01131	1.3
189.02469	9.5
189.06041	1.2
189.54956	1.3
190.05847	1.7
191.03816	6.0
192.05508	1.9
193.01944	1.7
196.99310	3.6
197.03026	1.6
198.05605	1.2
198.55571	4.2
198.96870	3.1
199.00859	5.5
199.06119	3.7
200.10219	1.0
201.02408	3.3
203.00322	3.1
203.03993	4.2
204.97920	2.4
205.01921	12.0
205.03639	1.6
207.03485	3.2
207.56236	2.5
210.96849	1.9
213.02231	1.3
214.16264	3.2
215.00354	29.8
215.03859	2.3
216.97926	3.4
217.01900	11.8
218.14977	2.3
219.03452	8.7
221.05051	2.7
223.02916	1.8
228.97929	1.2
229.01839	6.8
231.03380	1.9
233.01352	4.3
234.98920	9.2
238.01949	1.9
239.03700	1.1
239.06036	1.6
245.05147	2.2
247.02959	36.8
248.03099	1.1
252.97868	2.7
253.00166	1.4
253.07573	1.1
253.85707	1.0
257.05038	1.3
259.03030	1.9
265.03952	9.3
265.06039	0.9
270.04477	1.9
271.14093	1.2
271.17365	1.0
272.13333	1.9
276.99991	3.3
277.04080	1.6
288.20209	2.2
289.00299	1.1
289.04071	4.7
289.07681	7.0
289.12280	5.0
289.15656	6.0
289.18399	5.9
289.21225	8.7
293.03409	1.7
294.07413	2.3
295.01047	7.7
295.06659	1.6
307.01144	2.3
307.05069	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	288.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	2.2
57.07067	2.9
65.03930	1.5
67.05494	0.9
69.07052	0.7
69.59318	1.3
69.59747	1.5
70.02935	1.2
70.06566	0.4
71.08618	4.1
79.05476	0.3
81.07040	2.3
85.10159	1.7
88.07637	0.5
91.05466	100.0
92.05815	1.6
95.08591	2.6
102.16337	0.3
106.08639	0.7
117.07005	0.7
120.75501	0.3
132.08043	0.6
134.09625	13.8
137.13214	0.3
155.14282	2.7
274.79547	0.3
288.05817	0.7
288.23163	32.7
288.28696	1.4
289.23477	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	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
56.05015	3.4
58.74508	0.8
60.04504	3.5
60.05642	6.0
65.04917	0.8
69.03408	1.1
69.07037	1.5
70.06580	23.4
70.56803	2.8
71.06903	5.2
72.08144	24.4
74.06058	2.9
82.99808	1.8
84.04483	4.1
84.08128	16.0
85.02888	2.6
86.09698	11.9
86.99265	1.0
87.05585	2.0
87.09515	0.8
87.10020	3.4
88.03979	1.4
97.01334	1.0
97.02863	2.5
101.00869	22.4
101.07117	1.2
102.05475	1.7
104.05305	1.1
104.38582	0.9
106.05038	0.9
110.07132	5.0
112.08711	2.6
113.00910	1.0
113.85036	1.0
115.02435	11.9
115.08643	1.5
116.07067	3.7
117.03913	1.0
117.07386	2.0
119.01907	100.0
120.02012	2.7
125.11481	0.9
127.03884	1.3
127.08652	3.7
129.03952	3.3
129.06622	1.2
129.10239	9.6
130.05043	1.7
131.01901	8.9
133.02521	1.5
133.03462	22.6
133.06058	2.3
134.03487	1.1
135.05025	1.8
136.06161	5.4
137.01941	1.7
137.02942	27.2
141.10220	2.3
142.03490	1.3
143.01898	8.1
144.99800	3.8
145.03445	4.3
147.01289	1.1
147.05054	5.5
147.11301	1.2
149.02896	1.4
151.04478	6.0
152.07011	1.1
156.11296	1.1
157.03421	2.2
158.09250	1.1
159.01363	1.5
161.02940	36.6
161.09225	2.0
162.03081	1.2
163.04440	1.4
168.99809	7.0
169.03499	1.1
169.09724	1.8
171.01349	5.5
173.02983	6.3
175.00841	1.2
175.04495	2.5
175.10606	1.6
175.11957	7.6
176.12177	3.1
179.03972	3.1
185.02914	3.3
186.12379	4.9
187.00876	21.1
189.02438	7.2
191.03923	7.1
196.99275	3.1
199.00839	7.1
201.02423	2.2
203.03987	1.1
205.01947	17.1
207.03590	2.3
214.11771	3.1
215.00345	27.9
217.01924	13.5
219.03514	8.5
220.72739	1.1
223.02979	5.1
229.01897	6.6
231.03508	2.0
233.01370	4.7
237.04433	1.1
247.02972	29.7
259.02960	1.6
265.04034	8.8
271.17450	1.0
272.17804	1.8
277.03976	3.7
288.20142	5.4
289.03961	4.1
289.06943	1.8
289.11856	2.1
289.15955	2.2
289.20676	20.3
293.03482	1.0
307.05197	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	288.1914
Annotation	Gly Val Leu
Peak:m/z	Relative Intensity
52.38355	0.5
55.05505	5.0
56.05025	0.7
60.04515	1.7
60.05642	1.3
69.07060	0.7
69.79965	1.0
69.80379	2.6
70.02923	0.6
70.06586	10.5
72.08144	83.1
73.08487	0.8
74.02455	0.6
75.56823	0.6
84.04475	0.8
84.08129	4.0
85.02889	0.7
86.09695	49.1
87.05576	1.0
87.10020	1.1
88.03972	1.1
91.05458	2.5
97.02892	0.6
104.05394	0.6
104.07094	2.2
108.08054	0.6
113.07086	0.9
116.07086	2.2
118.08616	0.6
120.08086	2.5
129.10222	100.0
130.08626	0.9
130.10558	1.4
132.10184	15.9
143.11758	3.1
155.36914	0.5
156.11308	0.6
157.09711	36.2
157.13307	8.1
171.11229	1.6
175.11865	2.3
185.12796	3.9
217.15385	1.0
220.16939	0.5
225.15950	0.7
231.16965	0.5
238.17984	1.5
259.18396	0.8
271.17810	0.6
288.20340	8.3
289.19586	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	288.2026
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.05498	1.0
56.05025	2.2
57.03410	1.0
58.33746	0.4
58.99843	0.6
60.04508	1.9
60.05637	18.2
61.02922	0.6
64.64191	0.4
69.03426	0.7
69.07055	2.6
70.06576	68.3
71.04976	1.3
71.06922	1.3
71.21751	0.8
71.22095	0.7
72.08140	10.7
73.02897	0.5
74.06063	2.8
79.73662	0.4
81.03417	0.6
82.06566	0.7
82.99847	0.8
83.06058	0.7
84.04487	3.5
84.08121	11.8
85.02895	2.6
85.06519	0.7
86.06073	2.4
86.09689	39.6
87.05577	0.6
88.03961	0.7
88.07602	0.6
95.06064	1.0
97.02872	2.3
97.07639	0.9
98.06037	1.9
100.07586	0.7
101.00848	8.4
102.05527	0.8
103.02410	0.5
103.25036	0.5
104.95887	0.5
108.04497	0.8
110.07150	2.0
112.08706	8.8
112.09464	0.5
113.00857	0.9
113.07085	1.3
114.05479	0.8
114.10255	1.0
115.02409	3.3
115.08661	5.3
116.07073	16.1
117.03975	0.5
119.01895	32.9
120.06570	0.6
120.30512	0.5
126.05492	2.3
126.06470	0.6
127.03832	0.9
127.08669	0.6
129.03941	1.1
129.10216	5.9
130.08687	1.1
130.09749	5.3
130.10599	0.5
131.01868	3.4
132.10213	0.4
133.03436	8.1
133.09697	0.8
135.04903	0.7
136.06161	2.3
136.07677	0.5
137.02924	9.3
138.06613	0.5
139.08627	0.6
140.08183	1.3
140.41318	0.4
141.10161	1.1
142.03450	1.0
143.01874	2.3
144.99821	1.1
145.03423	1.5
145.04858	0.4
145.09669	0.8
146.03506	0.5
147.05066	1.2
149.02948	0.8
151.04509	2.3
154.03473	0.5
155.08092	1.0
156.05095	0.5
156.07652	0.7
156.11293	5.5
157.03455	1.3
157.10794	2.3
158.09218	9.2
159.01404	0.6
161.02916	12.5
161.04172	0.9
166.12221	0.5
168.99768	2.6
169.09648	0.9
171.01375	2.1
172.10847	0.5
173.02884	3.4
173.09239	0.7
175.04413	0.6
175.11871	38.5
177.02432	1.1
179.03986	1.8
181.09593	0.5
183.14882	0.9
185.02885	0.9
185.10304	1.1
187.00842	8.0
187.02437	0.8
187.04436	0.7
187.10747	1.4
189.02435	3.2
191.04051	2.6
196.99312	1.0
199.00819	2.0
199.10640	0.5
200.04324	0.5
201.02425	1.4
201.12335	0.8
205.01892	6.1
208.14441	1.0
212.12852	0.5
215.00334	8.9
217.01888	4.2
217.11809	0.7
219.03462	3.0
223.02969	1.6
228.17012	2.0
229.01901	1.9
229.15413	2.3
231.03777	0.5
233.01381	1.1
247.02957	9.1
247.06650	0.6
253.16595	1.8
257.05002	0.7
265.04129	2.5
265.07663	0.7
271.17584	8.0
277.04031	0.9
287.68234	2.0
288.10422	1.7
288.20236	100.0
289.04056	1.3
289.20566	1.4
307.05002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03926	0.2
55.01851	0.2
55.05505	0.4
56.05022	0.1
57.07067	0.1
58.06578	0.2
65.03924	0.3
67.01849	0.4
67.05488	0.5
68.99426	0.1
68.99779	1.7
69.03409	0.2
69.07059	0.5
69.80205	0.2
69.80624	0.5
70.06580	1.2
71.01318	0.2
71.06901	0.1
72.08129	0.1
79.01864	0.1
79.05473	0.7
81.03404	0.2
81.07033	0.7
82.06561	0.1
83.04949	0.1
83.08603	0.2
84.04475	0.1
84.08144	0.4
85.02869	0.1
85.06505	0.2
86.09703	0.4
88.64563	0.1
91.05463	0.5
93.03394	0.1
93.07038	0.4
94.04172	0.1
94.06528	0.2
94.07355	0.1
95.04961	0.6
95.08592	0.5
96.08110	0.2
99.00786	0.1
103.05454	0.2
105.03363	0.9
105.06998	0.3
107.04935	1.0
107.08567	0.3
108.08092	0.2
109.02874	0.6
109.06511	0.1
109.10125	0.2
110.07132	0.2
111.00789	1.5
111.04421	0.3
112.08688	0.1
115.05426	0.2
117.06977	0.2
119.08564	0.3
121.02849	5.6
121.06451	0.2
121.10102	0.2
122.09650	0.2
123.08089	0.1
123.11713	0.1
124.07554	0.1
125.02275	0.1
125.05950	0.1
127.03873	0.2
129.06960	0.3
129.10226	0.2
131.04848	0.1
131.08534	0.2
132.08008	0.1
133.02832	0.9
133.10106	0.1
135.04391	0.4
135.11652	0.1
136.07513	0.1
137.02319	1.8
141.06963	0.3
145.06476	0.5
145.10083	0.2
147.04398	1.1
147.08063	0.2
147.11685	0.1
151.03874	0.1
152.14330	0.2
153.01810	9.0
157.06473	1.1
159.11633	0.1
161.05930	0.4
163.03786	0.1
165.01816	3.5
169.06493	0.2
171.02907	0.2
171.04388	0.5
173.05942	0.1
175.03828	0.2
175.07587	0.1
178.37001	0.1
183.02859	1.8
185.05949	1.0
189.05447	0.3
197.05988	0.3
201.05446	0.1
203.03387	0.1
203.07008	0.2
213.05440	2.9
216.04190	0.2
217.04935	0.1
219.06560	0.1
220.16949	0.3
222.18504	0.2
229.04871	0.4
231.06454	1.2
236.16528	0.1
238.17979	0.7
240.19568	0.6
241.04921	1.2
241.19914	0.2
243.06334	0.1
245.04305	0.1
256.19070	0.1
258.05206	2.1
259.05972	0.8
265.20346	0.7
265.70517	0.2
269.04385	0.4
269.12546	0.1
287.05453	100.0
287.21509	0.6
287.68253	0.2
287.71814	0.3
288.05774	2.3
292.22482	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.1
54.13230	0.1
55.01860	0.2
57.15084	0.1
65.03915	0.3
67.01846	0.3
68.99431	0.2
68.99779	1.7
69.03420	0.2
69.58551	0.1
69.58829	0.1
70.24068	0.1
70.24381	0.4
71.01323	0.2
77.44979	0.1
79.05479	0.7
81.03384	0.2
91.05457	0.1
95.04951	0.2
98.21513	0.1
103.05467	0.2
105.03371	0.9
107.04945	1.0
109.02869	0.5
111.00796	1.2
111.04429	0.4
115.05479	0.1
117.06964	0.1
119.04957	0.1
121.02843	5.7
121.06543	0.1
121.57082	0.1
127.03873	0.3
128.06155	0.1
129.06995	0.4
133.02831	0.8
134.43776	0.1
135.04385	0.3
135.07927	0.1
137.02322	1.8
137.03372	0.1
141.06923	0.2
145.06471	0.5
147.04384	1.3
147.08096	0.1
151.03871	0.1
153.01805	9.1
154.02164	0.1
157.06458	1.3
158.37244	0.1
161.02333	0.1
161.05890	0.4
165.01813	3.0
169.06470	0.2
171.03119	0.1
171.04332	0.5
173.05945	0.1
175.03917	0.2
175.07521	0.1
178.06078	0.1
183.02872	1.4
185.06000	0.9
189.05443	0.3
191.03273	0.1
194.02162	0.1
196.04807	0.1
197.05891	0.2
199.03877	0.2
203.03407	0.2
203.07039	0.3
213.05432	2.6
214.05872	0.1
216.04182	0.2
217.04868	0.1
229.04874	0.3
231.06454	1.2
240.19771	0.1
241.04906	1.3
242.05556	0.1
243.06485	0.2
258.05206	2.1
259.05984	0.8
269.04376	0.4
287.05450	100.0
288.05792	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	286.1394
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
55.05511	0.6
56.05041	0.9
56.31031	0.3
60.04525	0.8
68.05035	0.4
70.06583	100.0
70.28687	1.9
71.06903	0.9
71.32748	0.4
72.08144	5.1
74.06062	0.5
83.06104	0.5
83.15034	0.4
84.04495	4.7
84.08125	3.6
86.09711	1.8
88.03987	0.6
88.14603	0.4
101.07140	0.6
102.05507	0.4
110.07173	2.2
112.07591	87.3
113.07946	0.9
116.07078	4.6
124.07580	0.5
125.51298	0.4
128.54704	0.5
129.06606	0.7
129.10231	1.6
130.04999	1.4
130.08659	0.5
136.07530	0.4
140.07047	60.8
141.07387	0.6
143.11777	0.7
147.07631	1.4
155.08188	0.4
156.07709	0.9
157.09680	4.4
161.02956	0.5
169.13362	0.6
173.09193	1.0
185.09171	0.8
187.10751	1.5
201.43715	0.4
240.13432	1.1
248.18425	0.4
250.15154	0.4
268.12854	1.1
269.11304	0.4
286.13962	5.3
286.17545	0.7
287.05597	0.8
287.11017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Cyanidin
Peak:m/z	Relative Intensity
67.01833	0.2
68.99782	1.8
70.26540	0.5
70.26980	0.3
77.90736	0.1
79.05473	0.5
81.03400	0.4
87.62009	0.1
95.04956	0.3
103.05444	0.3
105.03368	0.7
107.04926	0.9
109.02863	0.6
111.00793	1.5
111.04447	0.4
121.02859	6.1
127.03908	0.2
129.06973	0.3
133.02887	0.8
135.04372	0.5
137.02312	1.8
141.06989	0.4
141.29976	0.1
145.06447	0.7
147.04359	1.1
153.01813	8.9
157.06462	1.1
161.05968	0.4
165.01823	3.1
171.04401	0.5
173.05934	0.2
179.00548	0.2
183.02859	1.7
185.05940	0.9
189.05486	0.3
197.05919	0.2
203.34096	0.2
213.05447	2.8
229.05034	0.3
231.06450	1.0
241.04945	1.2
245.04379	0.2
258.05212	2.2
259.05939	0.8
269.04446	0.2
287.05460	100.0
288.05774	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.1
55.01858	0.1
65.03930	0.3
67.01849	0.2
67.05506	0.1
68.99778	1.9
69.03412	0.1
69.83398	0.4
70.06573	0.1
71.01360	0.1
73.58344	0.1
79.05477	0.5
81.03417	0.2
91.05466	0.1
93.03386	0.1
95.04951	0.3
97.10062	0.1
98.20753	0.1
103.05454	0.2
105.03376	0.7
105.06958	0.1
107.04935	0.8
109.02867	0.6
111.00789	1.3
111.04424	0.4
115.05449	0.2
119.04901	0.1
119.08619	0.1
120.08044	0.1
121.02850	5.9
121.03877	0.2
122.03183	0.1
124.07600	0.1
127.03907	0.3
129.06970	0.3
131.04965	0.1
133.02844	0.8
135.04419	0.2
136.07558	1.6
137.02316	1.7
141.06970	0.2
145.06473	0.6
147.04399	1.2
152.07054	0.1
153.01805	9.4
154.02231	0.2
157.06468	1.2
161.02303	0.1
161.05913	0.4
163.03874	0.1
164.07047	1.2
165.01808	3.3
166.02385	0.1
169.06479	0.2
171.02937	0.1
171.04356	0.6
175.03899	0.2
175.07553	0.1
179.03491	0.1
183.02859	1.6
183.04486	0.1
185.05943	1.0
189.05461	0.3
194.02142	0.1
197.05969	0.3
199.03845	0.1
201.05457	0.1
203.03398	0.2
203.07054	0.3
212.04651	0.1
213.05440	2.8
216.04225	0.1
217.05019	0.1
222.18379	0.1
229.04913	0.4
230.05730	0.1
231.06473	1.3
241.04927	1.4
242.05536	0.1
243.06561	0.2
245.04445	0.1
258.05194	2.0
259.05997	0.8
263.05661	0.1
269.04395	0.3
287.05453	100.0
288.05777	2.6
305.49863	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03942	0.1
55.01855	0.1
65.03941	0.3
67.01852	0.4
68.99425	0.1
68.99778	1.7
69.03410	0.2
69.69513	0.2
69.69926	0.3
71.01315	0.1
74.66195	0.1
79.05483	0.5
81.03424	0.3
91.05453	0.1
94.04192	0.1
95.01307	0.1
95.04942	0.3
97.02863	0.2
103.05444	0.2
105.03378	0.6
107.04939	0.9
107.08544	0.1
109.02869	0.7
111.00790	1.3
111.04433	0.4
115.05429	0.1
117.06967	0.1
119.04903	0.1
121.02850	6.1
122.03146	0.1
127.03902	0.3
128.06154	0.1
129.06975	0.4
133.02841	0.8
135.04439	0.3
137.02322	1.8
139.05345	0.1
141.06979	0.3
143.04976	0.1
145.02715	0.1
145.06474	0.6
147.04388	1.1
149.02289	0.1
151.03873	0.1
153.01805	9.5
154.02142	0.1
157.06459	1.2
161.02356	0.1
161.05934	0.4
163.03871	0.1
164.06984	0.1
165.01819	3.1
166.02611	0.1
169.06508	0.1
171.02960	0.1
171.04373	0.6
173.05878	0.1
175.03902	0.2
175.07458	0.1
183.02863	1.6
184.05128	0.1
185.05930	1.0
189.05450	0.2
191.03331	0.1
194.02147	0.1
194.30042	0.1
197.05959	0.3
199.03864	0.1
201.05467	0.1
203.03394	0.2
203.07077	0.4
212.04657	0.1
213.03403	0.1
213.05440	2.9
216.04225	0.1
217.04880	0.2
218.05731	0.1
224.45061	0.1
229.04915	0.4
230.05611	0.1
231.06459	1.1
232.06770	0.1
240.19385	0.1
241.02623	0.1
241.04915	1.5
242.05675	0.1
243.06461	0.2
257.04553	0.1
257.77933	0.1
258.05219	2.2
259.05972	0.7
269.04395	0.3
285.03891	0.1
286.04330	0.1
287.05457	100.0
288.05789	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.149
Annotation	3061-91-4
Peak:m/z	Relative Intensity
55.05503	10.8
56.05019	1.1
57.05793	0.8
60.04514	1.0
61.01138	0.3
69.07063	0.4
70.06580	2.6
70.92050	0.7
72.08140	100.0
73.08485	0.8
74.06062	1.0
84.04488	0.9
84.08131	3.4
85.02875	0.3
86.09692	1.8
87.05584	0.3
91.05453	2.2
103.05463	0.6
110.07164	0.5
116.07043	0.3
119.04916	2.8
120.08079	11.5
121.06519	0.3
121.08428	0.7
123.04401	2.2
124.14709	0.3
129.10222	1.2
130.08562	0.3
136.07550	16.4
147.04376	1.5
165.05438	4.6
175.11891	0.3
182.08099	13.2
235.14406	1.1
281.11584	0.8
281.14874	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	284.0986
Annotation	Guanosine
Peak:m/z	Relative Intensity
53.55859	0.1
55.01852	0.2
57.03421	0.5
70.06577	1.3
71.28350	0.4
71.28719	0.2
74.06053	0.2
79.99234	0.2
83.32021	0.2
84.08134	0.3
85.02892	0.2
88.16814	0.2
109.05095	0.3
110.03501	1.7
110.07132	0.6
113.26561	0.2
128.04556	1.1
129.40518	0.2
135.03001	3.3
136.06140	0.3
136.07526	0.2
152.05649	100.0
153.04050	6.0
153.06029	0.6
155.43559	0.2
219.01933	0.3
261.02957	1.6
284.09854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2216
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
55.05503	1.3
56.05016	0.9
57.07067	9.7
60.18771	0.3
62.43111	0.3
63.08513	0.4
63.13063	0.3
63.53830	0.3
65.03982	0.3
66.80467	0.4
66.80814	0.4
67.05496	3.2
68.04991	0.6
69.03419	6.5
69.07056	3.1
70.06579	1.3
70.89812	0.3
71.08624	12.2
71.50875	0.9
79.05479	1.1
81.07054	5.7
82.06583	2.4
82.20130	0.4
83.08620	0.8
84.08134	4.1
85.06548	0.4
85.10173	6.3
86.06056	1.3
87.04457	6.7
87.04957	0.7
88.07624	1.3
93.07044	0.8
94.06545	2.3
95.08015	0.7
95.08590	6.7
97.11124	0.4
98.06065	1.1
102.09160	0.9
105.03410	0.6
107.08575	0.5
112.07591	54.7
113.07935	0.4
124.07560	1.0
130.08623	14.5
136.06175	1.0
137.13248	0.6
149.05882	0.4
150.09123	0.9
155.14282	2.0
198.18535	5.3
238.18407	0.3
266.21130	1.5
283.70511	0.7
284.22171	100.0
285.22446	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
55.05497	9.4
56.27481	2.5
57.07061	5.4
60.05586	2.6
63.00043	6.3
67.05495	24.3
69.03419	4.0
69.07052	19.4
69.40981	5.6
69.41382	23.5
70.06567	23.0
71.04995	4.9
72.08165	2.9
79.05486	28.8
81.07043	23.7
83.08605	10.6
84.04459	3.3
84.08144	4.0
85.06535	2.9
86.09690	4.7
89.27377	3.2
91.05472	29.1
93.07028	33.1
95.04965	6.8
95.08595	19.7
97.06473	2.7
97.10149	3.2
98.98457	3.3
99.04472	3.2
105.07035	15.9
107.08578	22.0
109.10146	6.5
110.07152	4.2
111.08060	5.2
116.07024	2.5
117.07034	4.4
119.08578	14.4
121.10120	34.7
123.08046	6.2
124.99932	3.8
129.06885	3.0
131.08563	9.5
133.10103	14.5
135.11696	13.0
137.09604	9.9
145.10103	6.9
147.11630	12.1
149.09625	5.6
151.11111	5.5
157.10101	3.2
159.11641	3.8
161.13153	3.5
171.11609	4.8
181.04922	5.5
183.11598	3.3
203.14287	4.2
203.17976	5.6
213.16414	12.2
220.16873	5.4
231.17422	8.0
238.17986	9.1
240.19597	6.9
249.18466	100.0
253.08641	6.2
267.19418	6.9
285.11948	2.9
285.18457	7.8
285.21902	8.3
285.29623	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01854	4.3
55.05505	24.0
56.43893	3.6
57.03427	4.3
57.07065	3.8
58.06590	6.1
63.00012	7.0
67.05498	36.4
69.03419	4.2
69.07053	25.4
70.06579	35.1
71.04943	5.0
72.08133	7.2
79.05488	35.4
81.07048	47.2
82.06561	4.0
82.54303	3.0
83.04969	7.5
83.08611	14.7
84.04482	5.4
84.08119	12.2
85.06518	7.1
86.09673	14.0
91.05467	23.6
93.07024	50.0
94.06535	6.5
95.04941	10.2
95.08594	30.9
96.08073	3.0
97.06504	10.1
97.10144	9.4
99.04458	3.6
99.08075	4.7
105.07025	24.7
107.08572	32.4
108.08109	7.0
108.26710	2.7
109.06487	7.2
109.10109	13.7
110.07133	10.2
111.08026	4.6
111.11745	3.4
115.05340	2.9
115.08663	3.6
117.06976	6.3
117.86834	2.7
119.08578	30.6
119.66329	2.9
120.08054	7.2
121.06446	5.5
121.10127	39.9
123.08038	6.0
125.05977	5.6
125.09620	4.0
129.06975	5.4
129.10196	3.9
131.08539	14.7
133.10114	24.0
133.16136	2.9
135.07988	3.9
135.11653	11.3
136.07565	3.1
137.09572	10.0
143.06979	6.4
143.08505	5.9
145.10126	24.5
147.11661	19.5
149.09654	3.8
151.11119	6.6
153.09038	3.2
155.08513	4.3
157.10110	9.3
159.11687	8.6
161.05986	4.0
161.09581	3.7
163.11163	8.6
165.06940	2.9
169.10097	5.4
171.11688	6.1
173.09599	8.8
173.13188	4.6
180.62015	3.6
181.04884	6.3
181.12184	4.0
183.11671	5.8
185.13159	3.6
187.11218	7.1
187.14778	5.9
191.10696	7.4
193.06412	4.0
197.13249	5.0
199.14735	7.1
203.18030	4.9
205.12230	4.5
211.14758	5.5
213.16315	11.8
220.16934	7.2
221.05980	5.7
222.18445	3.2
225.09042	11.1
225.16222	3.8
227.17896	3.1
231.17400	8.3
233.11684	5.4
238.18004	12.6
240.19563	8.5
249.18474	100.0
253.08578	10.6
267.19312	4.9
269.13940	4.9
274.17920	3.8
285.11493	16.2
285.18329	10.6
285.22324	29.0
286.18588	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	285.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	4.5
55.05507	62.8
57.07061	14.8
63.00039	9.1
65.50808	3.4
67.05493	66.0
69.07063	96.8
70.06574	19.0
71.04972	7.0
71.08625	7.6
72.08136	6.3
74.09702	4.0
79.05489	25.5
81.07045	88.4
83.04939	4.5
83.08598	63.9
84.04492	4.2
85.06538	10.4
86.09686	7.0
91.05473	21.9
93.07033	42.2
95.08596	100.0
95.09172	7.2
95.86234	3.7
97.06531	22.3
97.10148	54.3
98.21449	8.8
98.98478	6.2
99.08092	9.5
105.07009	19.4
107.08597	22.8
107.09209	4.1
109.06519	4.0
109.10149	39.0
110.07156	5.3
111.08089	5.4
111.11705	19.7
119.08534	22.2
121.10126	47.6
123.08070	4.4
123.11678	23.6
125.09631	8.0
125.13272	5.0
133.10120	25.3
135.11688	37.2
137.09576	8.2
137.13237	11.8
139.11162	14.4
147.11674	18.4
149.13249	7.1
151.11093	10.0
151.14807	11.4
153.12679	10.6
154.97633	3.6
160.97650	4.7
161.13303	16.6
165.12793	9.9
171.13794	5.8
175.14790	14.0
179.14320	4.9
181.04985	5.2
189.16348	5.8
191.24440	4.6
217.19492	54.1
220.17101	4.7
222.96925	4.2
235.20558	40.3
238.18047	8.6
240.19604	5.4
253.08839	4.8
253.21608	14.9
278.18021	6.2
284.96033	7.1
285.21942	9.0
285.29724	8.0
285.68338	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	279.1701
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
55.01854	0.2
55.05499	0.9
55.32736	0.2
55.85617	0.2
56.05018	1.3
56.52985	0.2
57.03422	0.5
57.06786	0.4
57.07065	6.2
60.04511	0.6
60.05622	0.3
61.01133	0.4
63.77422	0.3
64.25307	0.2
65.03931	0.6
67.05491	0.4
69.03433	0.4
69.07055	1.2
70.06581	10.0
70.74358	0.8
71.06901	0.6
72.08143	4.5
72.76870	0.2
73.02900	0.7
74.00645	0.3
74.06042	0.4
76.03989	0.5
79.05473	0.4
81.07040	0.5
82.06589	0.2
83.04940	0.3
84.04495	1.6
84.08132	4.1
85.01124	1.6
86.06068	0.3
86.09693	19.3
87.10022	1.4
88.03985	0.4
91.05481	1.4
93.07034	2.1
95.04973	0.4
95.08588	0.8
97.79572	0.2
98.06046	0.3
102.03754	1.8
102.05511	0.6
103.05453	5.6
103.06141	0.3
104.05302	0.5
105.07004	0.3
110.05968	0.4
110.07150	1.8
112.07591	0.2
112.08730	0.5
113.07043	0.2
115.08671	0.5
116.07058	0.4
119.04913	0.3
119.08538	0.3
120.01163	1.4
120.08085	100.0
121.02841	2.4
121.08436	1.9
123.08035	0.3
129.10222	2.9
130.04945	0.6
130.06509	0.2
130.08620	0.3
130.10622	0.2
131.08588	0.2
132.10175	3.5
133.03159	0.3
135.04398	0.3
136.07547	0.6
137.05983	0.3
141.10152	0.3
143.11754	0.6
146.05981	0.4
147.11581	0.4
149.02316	48.1
150.02614	0.9
150.05779	0.9
156.07632	0.5
156.82751	0.2
157.09792	0.3
158.09227	0.3
163.03857	1.4
167.03380	1.4
167.11801	0.3
170.06035	0.3
175.11935	0.5
176.07417	0.7
191.06911	0.3
191.08470	0.3
195.11229	0.4
197.10318	0.3
205.08516	0.8
219.08006	0.5
227.78398	0.2
233.16489	3.1
251.10617	0.6
279.08157	0.4
279.12631	0.5
279.16998	6.9
280.11996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33992	0.4
55.01865	0.5
55.05490	0.9
56.05028	2.0
56.96546	0.4
57.07072	13.7
60.04510	1.8
60.05632	0.5
61.01142	1.0
65.03939	1.2
67.05493	1.3
69.07046	0.9
70.03065	2.4
70.06586	41.7
71.06921	0.7
72.08156	3.9
73.02894	0.5
73.77675	0.4
74.06068	0.5
76.03977	0.6
81.07043	1.4
83.06104	0.7
84.04500	4.5
84.08133	6.3
85.02914	0.6
86.09691	4.5
87.05585	0.4
88.03986	1.2
89.03897	0.8
90.05559	0.6
91.05472	18.7
93.03389	0.4
94.05576	0.3
95.06089	1.1
95.08578	0.8
97.64277	0.4
98.21395	0.7
98.97607	0.5
102.05523	0.5
103.05479	0.6
104.05335	2.2
104.86578	0.4
105.07042	0.7
107.04963	1.5
109.06544	0.5
110.07153	3.8
112.08693	0.9
112.15603	0.3
113.07111	0.4
114.05527	3.1
115.08675	0.8
116.07082	66.3
117.03358	1.3
117.06990	0.9
119.04929	15.9
120.08089	2.0
121.02869	4.9
121.06484	1.5
123.04408	1.7
129.10222	3.7
130.04979	1.2
131.04887	1.6
133.06482	2.2
135.04413	3.2
136.07564	70.1
141.07039	0.8
141.10236	0.4
144.05704	0.4
145.02837	1.5
145.05367	0.4
145.06467	9.9
147.04404	12.4
147.08067	0.5
148.06046	0.6
149.02328	100.0
150.02615	0.7
156.07674	0.8
157.06441	1.9
159.04314	0.6
159.08005	1.2
161.05975	2.9
163.03885	16.3
165.05515	0.5
167.03452	2.4
169.06450	1.3
171.04393	1.9
171.08051	1.2
173.05971	8.0
175.03925	0.7
175.07489	0.9
175.11900	0.8
177.05396	0.5
177.61539	0.9
181.06584	0.4
185.05927	2.5
187.07538	1.5
189.05496	2.2
190.61893	0.4
191.07054	0.8
197.05975	3.5
197.10278	0.5
199.07515	1.7
201.05440	2.9
202.13994	0.4
205.08636	1.0
207.06528	0.5
211.11829	0.7
215.06990	4.4
217.04999	0.8
219.06541	5.9
227.14949	1.0
233.08043	3.8
243.06502	1.7
252.98164	0.5
261.07547	2.2
262.10699	2.8
279.08939	2.0
279.13376	18.6
279.16248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1698
Annotation	Leu Phe
Peak:m/z	Relative Intensity
54.42471	0.2
55.05499	0.3
56.05029	0.5
57.05798	0.3
57.07070	1.3
58.06593	0.3
69.07060	11.1
69.83517	1.7
70.06580	1.8
72.08144	1.2
78.38485	0.3
79.40625	0.2
84.04485	0.3
84.08150	1.3
85.01078	0.3
86.09694	100.0
87.10048	1.2
91.05454	0.5
103.05436	0.4
112.08755	0.3
116.07079	0.3
120.07221	0.5
120.08089	10.0
121.02887	0.3
121.08493	0.3
129.10228	0.4
132.10089	0.3
143.11787	0.6
149.02319	8.4
149.03474	0.4
166.07213	0.3
166.08607	5.2
166.09914	0.4
183.43770	0.2
233.16460	0.6
279.08673	0.3
279.17023	4.0
279.20129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01856	1.1
55.05506	15.7
57.03418	6.1
57.07055	2.8
65.03920	1.0
67.05496	29.3
69.07060	13.6
70.06575	1.2
70.90852	2.8
71.04975	2.6
79.05482	52.0
81.07046	33.6
83.04964	3.2
83.08598	8.1
84.50396	1.0
85.06530	3.1
88.99496	1.1
91.05468	26.3
91.67132	0.9
93.07033	72.9
95.04956	6.1
95.08035	1.9
95.08598	26.6
97.06527	2.6
97.10143	4.6
99.08095	1.2
105.07007	14.8
107.07845	2.0
107.08578	37.1
109.06520	3.2
109.10134	10.9
111.08053	2.3
113.05961	1.4
117.06995	5.0
119.08569	11.1
121.10131	39.8
123.08039	3.2
123.11705	4.3
125.09606	1.9
129.07008	2.7
131.08569	6.5
133.10127	10.4
135.08037	1.4
135.11673	37.0
137.09587	2.3
143.08551	2.2
145.10075	5.8
147.11671	8.6
149.09650	1.7
149.13242	22.5
151.11107	1.8
157.10123	3.0
159.11662	5.5
161.09558	1.5
161.13257	5.4
163.11197	3.6
163.14775	4.5
165.12730	1.5
171.11691	2.0
173.13232	2.1
175.11137	1.3
175.14803	3.1
181.12120	1.2
185.13237	2.0
187.14803	5.5
195.13844	2.7
199.14781	1.3
203.75890	1.1
205.15810	3.9
207.13799	1.5
213.16373	1.9
221.15387	2.7
221.18959	1.8
231.17386	1.5
235.16980	4.2
241.19496	3.2
255.78577	1.3
259.20557	7.9
277.10077	4.2
277.21600	100.0
278.21573	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	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03935	4.2
55.01863	2.0
55.05499	17.2
57.07046	3.7
66.04141	1.6
67.05493	37.1
69.07059	16.8
69.48708	14.7
69.49107	2.1
71.04968	3.1
71.35419	1.5
71.96077	2.0
77.03917	2.1
79.05480	71.4
81.07043	38.1
83.08607	8.7
91.05463	26.8
93.07028	100.0
95.04979	7.9
95.08591	22.1
97.10117	2.9
98.21444	3.7
98.94571	1.6
105.07009	11.5
107.07883	2.8
107.08575	46.6
109.10134	14.9
117.06993	3.4
119.08557	10.2
121.10123	38.3
123.11703	4.0
125.09563	1.8
129.06926	2.6
131.08528	4.1
133.10083	10.1
135.11665	68.7
143.08606	2.4
145.10097	2.6
145.39583	1.6
147.11659	7.3
149.09590	2.0
149.13232	24.3
159.11662	4.7
161.13226	5.4
163.14841	8.1
171.11589	2.2
175.14915	2.3
185.13123	2.8
192.33698	1.8
192.51807	1.7
195.13800	2.9
197.34288	1.6
199.54095	1.8
205.60735	1.8
207.13773	2.6
210.24792	1.7
213.16299	2.1
221.15472	1.8
235.16948	3.8
241.19456	2.6
259.20493	3.3
277.10419	1.6
277.21576	96.9
278.22003	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	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03928	3.4
55.01856	1.1
55.05506	15.7
57.03418	6.1
57.07055	2.8
65.03920	1.0
67.05496	29.3
69.07060	13.6
70.06575	1.2
70.90852	2.8
71.04975	2.6
79.05482	52.0
81.07046	33.6
83.04964	3.2
83.08598	8.1
84.50396	1.0
85.06530	3.1
88.99496	1.1
91.05468	26.3
91.67132	0.9
93.07033	72.9
95.04956	6.1
95.08035	1.9
95.08598	26.6
97.06527	2.6
97.10143	4.6
99.08095	1.2
105.07007	14.8
107.07845	2.0
107.08578	37.1
109.06520	3.2
109.10134	10.9
111.08053	2.3
113.05961	1.4
117.06995	5.0
119.08569	11.1
121.10131	39.8
123.08039	3.2
123.11705	4.3
125.09606	1.9
129.07008	2.7
131.08569	6.5
133.10127	10.4
135.08037	1.4
135.11673	37.0
137.09587	2.3
143.08551	2.2
145.10075	5.8
147.11671	8.6
149.09650	1.7
149.13242	22.5
151.11107	1.8
157.10123	3.0
159.11662	5.5
161.09558	1.5
161.13257	5.4
163.11197	3.6
163.14775	4.5
165.12730	1.5
171.11691	2.0
173.13232	2.1
175.11137	1.3
175.14803	3.1
181.12120	1.2
185.13237	2.0
187.14803	5.5
195.13844	2.7
199.14781	1.3
203.75890	1.1
205.15810	3.9
207.13799	1.5
213.16373	1.9
221.15387	2.7
221.18959	1.8
231.17386	1.5
235.16980	4.2
241.19496	3.2
255.78577	1.3
259.20557	7.9
277.10077	4.2
277.21600	100.0
278.21573	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	277.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15458	0.6
55.05482	0.8
56.05022	2.5
57.07047	1.1
59.90110	0.5
60.04516	1.2
61.01142	0.8
67.05469	0.9
69.07042	1.2
70.06580	17.4
71.06892	1.0
71.76463	0.6
72.08141	5.1
74.02418	1.7
74.06048	0.9
76.03979	0.7
81.07023	0.7
84.04489	3.7
84.08129	10.8
85.02843	0.8
85.08451	1.1
86.09208	0.8
86.09695	10.7
87.10034	0.8
88.03973	0.8
89.39559	0.5
91.05475	4.0
93.07030	0.7
98.06009	0.6
101.07059	0.5
102.05537	0.9
103.05450	0.9
107.08591	0.6
110.07141	7.1
112.08689	0.9
114.05473	1.0
115.05424	0.6
115.08685	0.7
116.07102	1.0
119.04924	1.1
120.08087	7.4
121.08397	0.6
122.07080	0.7
123.04375	1.3
124.07528	1.0
127.08695	1.1
128.06152	0.6
129.06955	3.3
129.10217	5.5
130.04985	1.3
130.06497	7.0
130.08633	0.5
130.10529	0.6
132.08026	0.5
133.02817	1.7
134.04425	0.7
136.07549	4.7
141.10274	0.6
142.06500	3.6
144.08057	15.7
146.05972	0.9
147.11269	0.9
154.06485	24.0
155.07199	2.0
156.04411	1.0
156.08067	16.9
158.05971	1.4
159.09111	1.1
160.07597	1.1
163.03801	0.7
170.06038	1.0
171.09224	0.7
172.07547	6.7
174.05482	2.8
175.11858	0.7
181.71841	0.5
182.05988	100.0
183.06548	3.6
184.07556	6.8
186.09102	1.6
187.10820	0.6
188.07033	13.6
189.07373	0.7
190.08649	2.1
200.07039	13.0
202.08627	2.3
204.10289	0.8
210.05423	4.5
214.08591	10.8
214.49377	0.6
216.10184	1.8
217.09724	1.3
218.08044	0.7
221.05905	0.8
228.06561	2.6
231.11237	9.1
235.16988	1.3
242.08083	26.9
243.08455	0.8
245.09164	1.3
249.05406	1.2
259.10825	0.6
259.13995	0.6
260.09146	90.1
261.09564	2.4
277.04984	1.8
277.11816	20.2
277.14487	0.8
277.18005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05504	8.9
57.06797	0.9
57.07067	16.9
65.03928	0.9
67.05482	1.3
68.42188	0.4
69.07044	0.9
70.06571	1.2
70.20203	1.9
71.61930	0.4
79.05481	1.5
81.07043	1.7
84.04481	0.5
84.08154	0.7
85.06516	0.4
86.09668	0.5
88.35436	0.4
91.05468	9.6
93.03367	0.5
93.07031	1.7
95.04938	0.4
95.08595	1.4
105.07011	1.0
107.08555	1.0
109.10133	0.9
117.07001	0.4
119.08549	0.6
120.08072	0.5
121.02845	3.8
121.10139	0.8
122.01285	0.3
123.08115	0.4
123.11665	0.7
128.02618	0.3
129.06950	0.7
130.10501	0.4
131.08549	0.8
133.04938	0.4
133.10126	1.0
135.11681	0.4
143.04910	0.6
145.62709	0.4
147.08015	0.4
147.11662	0.7
149.02319	100.0
150.02698	0.9
161.05896	2.2
161.13181	0.5
167.03406	2.0
171.05826	1.3
175.07503	7.5
179.10712	0.7
190.05005	0.6
199.05350	1.0
203.07005	10.4
205.08562	1.0
217.19453	0.4
221.08061	1.6
235.16905	0.7
241.19714	0.4
277.10043	4.1
277.14346	4.8
277.21783	2.0
282.92386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2214
Annotation	1-Monolaurin
Peak:m/z	Relative Intensity
55.05497	15.6
55.57100	2.3
57.03428	8.8
57.07072	100.0
64.35052	2.1
65.30956	2.3
67.05497	21.3
69.07053	10.3
69.51616	24.3
70.06580	3.2
71.04961	2.7
71.08624	50.9
75.04445	3.2
79.05484	6.9
79.90988	2.0
81.07052	26.8
83.08609	17.5
84.07608	2.1
84.29607	2.4
85.10183	31.7
85.41216	2.1
89.06023	2.3
90.12603	2.4
91.05451	14.4
93.07022	10.2
95.08600	53.2
97.10148	10.6
105.07052	16.2
107.08591	4.9
109.10153	35.8
117.06984	3.7
119.08585	10.4
123.11723	5.8
131.08505	5.6
133.10095	10.2
135.08057	2.8
145.10115	6.8
147.11684	6.6
149.09540	6.5
159.11771	2.7
161.13290	2.6
168.72310	2.7
179.32111	2.4
183.17444	61.7
183.19084	3.3
201.18475	6.8
229.19536	3.3
257.11783	3.3
257.18591	3.9
257.21091	64.6
275.04904	6.4
275.12976	3.3
275.17050	2.8
275.20035	33.1
275.27753	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	275.2728
Annotation	Kaurane
Peak:m/z	Relative Intensity
52.11057	1.4
55.05500	10.4
55.14520	1.5
56.61713	1.4
57.07066	8.3
67.05493	20.4
69.07058	26.9
70.06585	1.7
71.08602	5.3
71.40414	3.6
71.40736	1.6
73.76540	1.4
76.37122	1.5
79.05482	10.2
81.07043	100.0
83.08611	12.3
85.10160	4.2
91.05457	3.7
93.07030	14.0
95.08589	73.9
97.10153	7.7
105.07006	2.8
107.08578	15.7
109.10144	46.0
111.11709	8.8
120.13345	1.5
121.10088	10.1
123.11682	21.1
125.13229	1.6
131.08577	2.1
135.11658	7.0
137.13254	8.8
143.08585	1.6
145.10205	1.7
149.13199	9.2
151.14815	6.6
159.11575	1.5
163.14784	5.4
165.16360	3.0
177.16379	2.2
177.97789	1.4
189.10339	1.6
191.17776	1.8
192.04620	1.5
219.21063	2.4
253.66399	1.7
275.04910	5.0
275.13058	1.9
275.20410	1.8
275.27356	61.0
276.27679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41512	2.9
58.16932	3.0
60.36951	3.2
69.03414	4.2
70.06583	6.3
70.92652	8.4
78.66229	3.4
81.93999	3.1
84.08161	4.7
97.02883	7.6
101.00867	30.4
109.30107	2.7
119.01906	67.2
131.01903	11.8
137.02916	10.0
140.21660	2.9
143.01877	29.1
145.03447	14.1
155.01927	5.9
157.03493	13.6
161.02930	100.0
173.02933	9.8
175.04520	11.9
185.02898	14.8
187.04555	6.3
194.97980	3.1
197.02919	10.5
203.04042	4.4
215.04048	3.9
245.05049	54.3
263.06076	12.1
277.03195	31.2
277.07629	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1999
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.1
55.01859	1.4
55.05504	9.0
57.03423	0.6
57.07068	1.3
59.11850	0.5
67.05498	14.5
68.38436	0.7
69.03410	0.8
69.07050	7.3
70.06601	2.8
70.17181	1.6
70.17598	1.5
71.04972	1.7
71.06873	0.6
73.06576	0.6
74.06053	0.9
79.05480	14.2
81.07046	14.4
83.04965	1.7
83.08620	3.3
84.04503	1.1
84.08113	1.0
86.09683	0.8
88.07630	1.4
91.05472	30.1
93.06487	1.0
93.07033	14.3
95.04934	2.5
95.07993	0.6
95.08592	11.7
97.06524	1.3
97.10150	1.9
103.05446	1.8
105.07020	47.1
106.07345	1.3
106.08672	0.8
107.04948	1.5
107.08582	10.9
109.06493	2.0
109.10145	4.8
111.08078	1.7
115.05463	0.6
117.06992	8.7
119.08569	31.5
120.08089	1.4
120.93411	0.6
121.06505	1.7
121.10133	5.7
123.08094	0.8
123.11682	1.1
129.06970	2.1
131.08553	12.5
133.10110	29.3
135.08031	2.7
135.11656	3.0
137.09575	1.4
139.09898	0.5
141.06998	1.2
143.08594	1.9
145.10112	11.4
145.11183	1.2
147.08028	1.3
147.11674	17.7
149.09569	4.2
149.13216	1.2
151.11169	0.9
155.08495	1.4
157.10117	2.0
159.11671	7.9
160.52805	0.7
161.09616	1.2
161.13228	4.7
162.21907	0.6
163.11165	2.6
164.48163	0.5
165.09210	0.8
169.10028	1.2
171.11688	2.7
173.09561	0.7
173.13264	3.7
175.11142	0.9
175.14868	0.9
183.11642	1.6
185.13235	0.8
187.11102	1.1
187.14890	0.7
197.13264	2.5
199.14777	0.6
201.12810	1.0
215.17833	0.6
229.19534	1.7
233.15276	1.2
238.18016	0.7
239.18030	2.8
240.19557	1.7
241.19910	1.4
247.20633	1.6
257.19019	5.4
274.69223	3.9
275.04788	2.0
275.20044	100.0
275.27670	4.5
276.20264	2.2
276.25406	1.2
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	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	0.8
55.01852	0.9
55.05254	1.0
55.05502	12.1
57.03401	1.1
57.07048	1.1
58.07379	0.7
61.19072	0.6
65.03927	1.6
67.05176	0.6
67.05502	11.5
69.03429	1.2
69.07053	8.1
70.06577	3.7
70.08080	2.7
70.08505	1.2
71.04970	2.3
71.06897	1.1
72.08985	0.9
79.05484	13.5
81.07043	12.8
83.04967	1.4
83.08620	4.8
85.06545	1.2
88.07607	2.8
89.07953	1.1
91.05466	34.3
93.07030	13.8
95.04932	2.1
95.08039	0.8
95.08591	7.9
97.06518	1.1
97.10158	2.0
101.06027	0.6
103.05426	0.8
105.07014	50.0
106.08652	1.7
107.04949	2.5
107.08561	10.4
108.11526	0.6
109.06476	1.6
109.10143	3.8
111.08096	0.7
111.99932	1.0
117.07005	7.8
119.08567	24.5
119.93777	0.6
121.00442	5.0
121.01098	0.5
121.06493	1.4
121.10103	3.2
123.08024	0.7
123.11695	0.8
125.01118	0.6
125.09588	1.3
129.06984	2.2
131.08546	10.6
133.10106	39.6
135.08041	1.5
135.11674	2.0
137.09598	0.8
141.06967	0.9
143.01740	2.0
143.08542	2.4
144.22054	0.6
145.10110	15.1
147.11670	18.0
149.09587	3.8
149.13199	0.7
155.08556	1.1
157.10103	2.6
159.11691	6.2
161.09671	1.1
161.13239	4.9
163.11136	2.4
167.99710	1.9
169.10129	1.5
171.11661	4.0
172.00981	0.7
173.09668	0.7
173.11969	0.8
173.13286	4.2
175.11240	0.9
177.00175	3.4
177.12723	0.8
183.11681	2.4
189.12704	1.0
197.13272	2.5
211.14786	0.9
217.02538	2.5
229.19421	1.3
231.25339	0.7
239.17995	3.7
252.04649	2.8
257.18973	8.7
257.26663	1.8
261.05087	3.1
261.55289	1.1
263.55402	1.0
275.04742	1.5
275.20032	100.0
275.27698	33.4
276.20343	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	275.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
55.65480	0.5
56.05022	2.6
56.97010	0.5
57.03994	0.5
60.04508	0.6
60.58127	0.4
61.01131	0.9
63.13237	0.6
68.57655	0.6
69.07050	2.2
70.00024	1.6
70.00439	1.5
70.06583	7.9
72.08149	4.1
74.06072	0.6
84.04493	34.2
84.08125	2.4
84.62861	0.5
85.02877	0.8
85.33851	0.5
86.09694	100.0
87.10009	0.7
91.05473	0.9
97.06525	0.5
97.07585	0.6
102.05531	10.6
103.05447	0.5
108.48621	0.5
110.07142	2.4
112.08728	0.9
115.08618	0.6
116.07084	4.3
120.08096	4.3
129.10222	2.4
130.05002	0.6
136.07558	1.5
140.84200	0.5
144.06543	33.8
146.06047	0.6
162.07599	78.5
175.11803	0.7
188.07039	1.0
205.09711	1.0
215.06952	0.7
215.13943	1.2
229.13306	0.6
240.78857	0.6
243.13405	1.1
257.12668	1.1
257.14963	1.2
268.13965	0.7
275.16031	24.4
295.09048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.9
55.05511	13.2
57.03415	1.2
57.07058	5.4
59.04988	1.6
65.03927	1.8
67.05494	15.8
69.07056	7.6
70.06585	6.9
71.04960	2.5
71.06927	1.4
71.08619	3.5
73.40675	1.4
79.05486	14.5
81.07043	21.1
83.04969	2.7
83.08609	4.1
84.04501	1.9
84.08139	2.0
85.06507	1.6
86.09704	1.3
88.07615	4.3
89.07940	1.4
91.05469	48.3
93.07029	16.3
95.04926	3.0
95.08592	12.6
97.06490	1.9
97.10138	3.2
105.07016	55.0
106.08640	1.7
107.04926	2.2
107.08559	12.7
109.10110	4.9
111.57475	1.5
117.07000	9.7
119.08566	34.8
121.06490	1.3
121.10126	5.7
123.11665	1.6
125.09656	1.5
129.06999	2.2
131.08553	17.4
133.10120	44.2
135.08038	1.6
135.11676	2.8
141.07008	1.9
143.08525	3.6
145.10112	16.4
147.08011	1.7
147.11659	20.6
149.09573	5.7
155.08461	3.0
157.10049	2.9
159.11693	7.7
161.13240	4.0
163.11121	1.6
171.11667	3.4
173.13235	5.6
175.11241	1.5
183.11751	3.5
197.13123	3.7
199.14917	1.5
211.14775	1.3
239.17931	4.4
257.11722	1.8
257.18991	8.7
257.21310	2.3
257.26617	2.0
274.69183	2.5
275.04840	5.2
275.20044	100.0
275.27722	39.8
276.20319	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	274.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.05031	1.0
60.05627	1.0
68.58337	0.5
69.07088	0.4
69.62305	0.4
70.06578	5.7
70.62899	0.8
70.63254	1.0
71.24165	0.4
72.08141	4.4
74.06056	0.8
81.81783	0.4
84.04487	1.9
84.08125	4.6
84.14439	0.4
86.09689	100.0
86.67929	0.4
86.79038	0.4
90.05598	1.0
104.05365	0.6
110.07144	0.9
112.08688	0.7
115.08682	1.0
116.07067	0.8
120.08088	1.2
120.34120	0.5
126.09131	0.5
128.47414	0.4
129.10225	1.7
130.06439	0.5
132.10194	0.9
143.08139	1.0
144.10158	1.2
157.13333	64.2
158.09247	0.9
158.13664	0.5
161.09233	0.9
161.12886	1.0
166.30362	0.5
173.46526	0.4
175.11870	3.1
185.12823	35.0
203.13899	5.9
222.85124	0.5
253.16994	0.4
257.15775	0.6
274.18793	5.9
274.21414	1.0
274.27304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0908
Annotation	2,3,4-TRIHYDROXY-4'-ETHOXYBENZOPHENONE
Peak:m/z	Relative Intensity
51.60136	0.4
55.05472	1.3
56.26453	0.5
65.00405	0.4
65.66578	0.4
67.05462	1.7
68.99770	0.6
69.03413	0.4
69.07059	0.8
69.65874	3.6
70.06564	1.0
75.72569	0.4
79.05449	1.7
81.07036	2.2
83.04937	0.5
85.06505	1.4
91.05440	1.5
93.07045	2.4
93.76896	0.5
95.04939	0.6
95.08601	2.4
105.07008	2.1
107.08577	1.5
109.10128	1.2
117.07011	0.6
119.08556	2.7
120.08051	0.7
121.06491	0.7
121.10087	1.7
129.08813	0.5
131.08522	1.6
133.10072	1.3
135.07990	0.9
135.11688	1.0
137.09592	2.5
141.06950	0.7
142.07745	0.5
145.06451	0.7
145.10081	1.6
147.07988	0.6
147.11696	1.0
149.09625	1.2
155.08487	1.3
159.08031	2.7
159.11638	0.6
161.09555	0.5
161.13213	0.8
163.07518	2.3
163.14804	0.5
165.07024	0.7
169.06409	1.0
173.06021	2.3
173.13251	1.0
176.04645	1.6
183.08005	3.4
187.07536	5.6
187.14838	0.8
188.08318	0.5
190.06223	1.5
191.06999	21.1
191.14366	0.7
197.05913	2.2
201.09062	3.4
211.07541	8.5
214.06183	2.5
215.07014	8.1
217.15739	0.7
219.13736	0.7
229.08577	21.8
233.08054	65.8
234.08389	1.6
238.18056	0.5
239.07007	3.9
240.07933	0.7
240.19498	0.6
242.05734	5.4
256.07394	0.6
257.08063	49.3
257.18933	1.4
258.08438	1.3
266.17233	0.6
274.69168	1.4
275.09103	100.0
275.20139	6.8
276.09518	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.84437	1.5
55.05505	13.0
57.07064	7.9
57.27461	1.5
67.05498	19.4
69.07057	30.2
71.08607	4.4
71.76913	2.1
71.77302	1.8
73.09765	1.3
74.53559	1.4
79.05475	9.5
81.07048	90.8
81.75308	1.6
83.08611	13.3
85.10208	2.0
91.05467	10.1
93.06467	2.0
93.07030	27.1
95.04950	2.2
95.08595	68.2
97.10149	8.8
105.07033	19.4
107.08581	44.6
109.10142	49.5
109.10899	1.7
111.11707	4.2
119.08565	17.7
121.09292	3.2
121.10128	39.9
123.11695	34.4
125.13255	1.5
129.50293	1.4
131.08527	1.4
133.10094	12.8
135.11659	27.6
137.13266	12.8
147.04375	2.7
147.11656	16.2
149.13249	39.0
151.14821	4.7
153.01842	4.0
158.55553	1.4
159.11656	2.7
161.13248	24.8
163.14793	26.6
165.16342	2.9
175.14819	11.4
177.16367	15.9
189.16379	15.4
191.17946	7.9
203.17944	17.3
217.19495	32.4
231.21013	1.9
245.22572	1.7
273.07422	3.9
273.22940	4.0
273.25745	100.0
274.26035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2209
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05500	5.9
57.07062	1.9
59.96898	1.2
61.01519	1.1
63.24032	1.2
67.05491	9.7
69.07067	6.6
69.07355	1.3
69.98830	3.2
69.99234	3.3
70.06557	2.2
71.04992	13.1
72.05813	1.2
79.05460	5.0
80.00064	1.2
81.06590	1.8
81.07044	30.0
82.91800	1.4
83.08602	2.5
83.95047	1.1
85.06516	3.6
88.07597	1.3
91.05446	5.5
93.07023	17.8
95.04924	3.2
95.07972	1.8
95.08585	24.4
97.06485	2.3
97.10130	2.7
99.08040	1.3
105.07013	27.6
107.08577	19.4
109.06502	6.2
109.10142	9.8
111.08070	17.6
113.09655	7.8
113.10308	1.4
117.06999	4.2
119.08561	60.9
120.08873	1.7
121.10133	21.1
123.08018	2.4
123.11680	9.2
128.06223	1.6
129.06892	1.4
131.07741	1.4
131.08548	15.9
133.10106	9.8
135.11650	4.7
142.07681	2.3
143.08546	7.0
144.09329	2.3
145.09039	2.0
145.10107	25.4
147.04359	3.6
147.11664	11.0
149.13231	6.4
151.11143	1.8
153.01767	5.3
156.09361	1.6
157.10094	13.8
159.11667	56.2
160.11937	1.3
161.13222	11.8
163.11110	2.0
163.14742	3.9
171.11655	8.5
173.13232	18.0
174.13699	1.1
175.14807	5.2
177.12730	7.7
179.14304	2.3
185.13217	8.9
187.14824	6.9
189.16380	5.7
199.14806	14.5
201.16467	2.2
203.14178	1.6
203.17900	3.9
213.16379	9.7
215.17909	65.3
216.18260	1.9
217.15930	1.8
227.17868	2.3
229.19495	8.4
238.17941	1.5
255.21039	54.3
256.21310	1.8
273.07458	8.8
273.18594	5.3
273.22070	100.0
273.68307	2.0
274.22354	4.6
274.27292	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	272.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21787	0.3
55.05498	1.3
56.05019	1.7
57.03411	0.4
57.07058	0.5
57.70393	0.3
65.03920	1.0
65.18702	0.3
67.05492	7.7
69.07054	0.5
70.06570	1.3
70.32667	1.3
72.08137	0.3
79.05486	2.9
80.05003	2.8
81.07041	3.5
82.06556	2.4
82.50031	0.3
83.08588	0.9
84.08126	2.0
85.06531	0.3
86.06045	1.7
91.05473	0.8
93.05760	0.5
93.07022	1.3
94.06554	2.0
95.08572	2.1
96.04466	0.4
96.08074	1.3
97.10148	0.5
105.07012	0.7
106.06552	1.7
107.07348	1.4
107.08567	2.3
108.08096	0.9
109.06494	0.3
109.08891	0.3
109.10115	0.3
119.08556	0.6
120.08102	1.5
122.09702	0.3
124.11214	5.6
125.09602	0.4
131.08569	0.5
134.09628	0.7
135.11664	0.5
136.07605	0.4
138.09125	0.4
139.33862	0.3
152.10687	1.1
152.14244	0.3
170.11758	3.9
173.13167	0.6
174.12692	0.5
180.13771	0.7
188.14404	0.4
190.15883	2.3
192.13834	1.1
198.14853	0.5
200.14328	0.4
206.15364	2.9
208.13234	0.3
208.16928	4.7
210.14806	0.8
218.15363	6.7
222.14838	0.5
224.16389	1.5
226.17969	2.4
236.16408	11.5
254.17479	12.3
272.18512	100.0
272.73456	0.3
273.18878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.5
55.05500	4.6
56.05032	3.0
56.86019	0.5
57.03422	0.9
58.06585	0.9
60.04494	1.3
60.05634	1.1
67.05489	4.1
68.05015	1.2
69.03408	1.2
69.07054	4.6
69.61331	1.1
69.61739	3.3
70.02930	0.6
70.06583	17.2
71.04976	0.9
71.06092	1.6
71.06918	1.1
72.08149	8.6
73.02911	0.6
73.04028	0.6
74.06057	1.3
79.05492	3.0
80.05000	1.9
81.03407	2.9
81.04532	3.9
81.07045	6.4
82.06545	1.3
83.04976	1.2
83.06085	1.1
83.08603	1.7
84.04486	5.2
84.08130	14.4
85.02875	1.0
85.06530	1.1
85.08452	0.9
86.09695	20.2
87.05585	0.5
87.10011	2.0
88.03978	1.4
91.05460	6.7
93.07019	3.4
94.06504	0.8
95.04931	2.0
95.06088	1.7
95.08591	2.4
96.04464	0.6
96.08104	1.0
97.06481	1.1
97.10144	0.9
99.04484	0.6
99.05537	1.7
100.09803	0.5
101.07053	0.6
102.05511	1.1
103.05411	0.6
105.07042	2.5
106.06492	0.7
107.04947	1.1
107.06059	1.1
107.08569	1.7
108.08152	0.6
109.06496	1.2
109.10133	0.7
110.07150	8.0
110.85690	0.5
111.08071	1.0
112.07610	0.8
112.08678	1.7
113.07098	0.5
116.07067	0.8
119.04919	2.4
119.08551	1.6
120.08097	7.7
121.06463	1.2
121.10104	1.7
123.08063	0.7
123.11655	0.6
124.03938	0.6
124.07557	1.1
124.11214	0.6
125.09550	0.6
129.10222	6.8
130.04956	1.5
130.06474	1.0
130.08591	1.2
131.08534	1.2
132.08070	1.1
132.10168	1.3
133.10069	1.2
135.09174	0.6
136.07574	6.0
138.12769	1.2
143.11766	1.6
145.10107	0.6
147.04346	2.0
147.11470	1.8
148.11131	0.5
149.05966	1.1
149.09546	0.9
150.12747	2.0
152.07076	0.6
153.01868	2.6
153.06956	1.2
156.07678	4.4
157.10062	1.6
159.09135	0.9
159.11652	0.7
164.14326	1.4
166.12247	1.9
169.07680	0.6
170.05952	0.6
175.11079	0.7
175.11870	0.5
176.10692	0.7
177.10236	0.5
181.06503	1.2
182.15361	4.2
183.14940	0.9
184.13310	2.2
191.15404	1.5
192.13751	2.6
193.12036	2.5
194.11757	1.9
200.16432	0.8
210.14842	6.0
211.13275	2.4
213.09038	1.2
219.14903	7.8
219.95837	0.5
220.13335	0.9
220.16963	0.6
227.17648	0.8
228.15933	0.9
237.16008	4.5
238.14330	0.8
238.17943	0.9
241.08475	0.7
255.17058	10.2
256.19095	3.8
266.36981	0.6
269.16037	0.9
273.04111	1.1
273.07584	2.0
273.18073	100.0
274.16995	1.3
274.18948	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	271.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55149	0.2
58.99581	3.6
65.03931	1.3
67.63477	0.2
70.06569	0.4
71.65208	0.4
73.75822	0.2
76.02218	7.8
86.99043	3.1
88.03986	1.3
91.05470	100.0
92.05806	1.5
105.00076	5.0
108.08104	0.2
116.07082	0.3
117.97793	0.5
122.02714	26.3
123.13765	0.2
150.03685	0.3
184.02484	6.7
195.04695	0.6
225.05095	0.4
240.19778	0.2
252.19635	0.2
254.03012	14.0
255.03180	0.6
262.19064	0.4
264.70026	0.2
270.68985	0.3
271.05658	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	271.2262
Annotation	CHEBI:66217
Peak:m/z	Relative Intensity
55.05501	62.7
57.07055	17.2
67.05493	51.8
69.03414	2.3
69.07055	100.0
69.42235	4.6
69.42646	19.2
70.06567	4.7
71.04979	6.5
71.08612	6.5
79.05475	19.1
81.07043	78.1
83.04966	4.8
83.08605	64.8
85.06515	8.6
85.10170	5.6
86.63691	2.1
91.05460	17.6
93.07032	32.2
95.04939	2.3
95.08592	75.0
97.06519	16.3
97.10151	58.8
97.10765	3.7
99.08088	7.0
105.07022	19.7
107.08564	19.0
109.10140	35.0
111.08067	9.0
111.11691	26.2
112.07597	7.0
113.09626	3.3
115.07573	2.5
119.08550	20.1
121.10134	35.7
123.08047	4.6
123.11692	16.9
125.09624	5.8
125.13239	8.4
131.08574	2.9
133.10114	26.3
135.11664	37.4
137.09569	6.0
137.13210	6.9
139.11166	9.0
142.62410	2.0
147.11668	20.6
149.13235	9.3
151.11186	8.3
151.14851	6.4
153.12724	9.9
155.10521	2.5
157.12219	2.7
158.77702	2.1
161.13219	18.7
165.12764	7.3
175.14751	5.5
179.14316	8.6
189.16341	3.2
191.17856	3.4
193.15903	2.5
193.19527	7.2
217.19501	49.8
235.20540	42.7
238.18156	2.3
253.21645	24.5
254.15656	3.0
268.58328	2.2
270.68497	2.6
271.22736	4.2
272.18716	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	272.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71751	0.3
55.01848	0.3
55.05507	1.8
56.05019	1.6
58.06582	0.4
60.04508	0.6
60.05640	0.4
65.03918	0.5
67.05167	0.5
67.05497	6.3
69.07054	0.8
70.06585	3.8
70.86956	0.8
70.87311	0.3
71.04983	0.3
72.08147	1.8
74.06061	0.4
79.05482	2.3
80.05008	2.1
81.07039	2.7
82.06555	2.1
83.08586	0.6
84.04465	0.5
84.08126	2.1
85.06496	0.3
86.06031	1.3
86.09689	2.6
91.05462	0.9
93.05787	0.3
93.07034	1.0
94.06565	1.7
95.08595	1.8
96.08132	1.3
97.10167	0.5
105.07037	0.5
106.06548	1.5
107.04922	0.3
107.07368	1.7
107.08543	1.5
108.08099	0.8
109.06484	0.3
109.08915	0.3
109.74223	0.3
110.06051	0.4
110.07184	0.5
110.09769	0.3
115.08675	0.4
119.08476	0.3
120.08109	1.7
122.09691	0.4
123.07972	0.3
124.10350	0.5
124.11201	4.2
125.09588	0.4
128.10693	0.3
129.10196	1.2
134.09653	0.5
136.07530	0.3
138.09108	0.5
152.10684	0.8
152.14397	0.3
166.62691	0.3
169.13332	0.3
170.11746	3.2
173.13164	0.4
174.12791	0.4
175.11888	0.5
180.13834	0.7
190.15919	1.5
192.13832	0.8
198.14877	0.7
200.14378	0.5
206.15352	1.7
208.16937	4.2
210.14868	0.4
218.15379	6.2
222.14914	0.4
224.16434	1.7
226.15849	0.5
226.17957	2.4
236.16432	9.3
254.17490	10.6
272.18533	100.0
273.18997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2833
Annotation	6,10,14-Trimethyl-2-pentadecanone
Peak:m/z	Relative Intensity
52.94960	2.2
55.05503	53.8
55.31187	2.1
57.06823	3.7
57.07072	56.7
65.25171	2.1
67.05482	5.9
67.52933	2.4
69.07059	100.0
71.08620	40.7
71.74564	3.8
79.05495	2.3
81.07047	9.5
83.08138	4.8
83.08611	76.9
83.09105	4.5
85.10178	20.2
86.99046	2.4
93.06989	2.4
95.08609	5.7
97.10158	49.8
107.08572	2.6
109.10117	2.2
111.11702	26.4
114.73248	2.3
125.13226	11.8
137.06607	3.2
149.81752	2.7
153.07133	2.7
173.36365	2.4
184.42976	2.2
187.40784	2.3
213.00095	2.6
251.19983	5.5
269.18945	5.6
270.18951	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1035
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01859	0.2
57.03424	0.7
60.05631	0.1
61.02887	0.2
69.03424	0.3
70.06581	0.1
70.92194	0.2
70.92533	0.2
71.01340	0.2
71.87529	0.1
72.08138	0.1
73.02917	0.3
85.02897	0.4
85.66065	0.1
87.04436	0.1
94.04069	0.2
97.02883	0.1
98.21528	0.1
115.03915	0.2
116.59051	0.1
117.64069	0.1
119.03519	0.6
121.50500	0.1
131.12903	0.2
133.04909	0.3
136.06154	100.0
137.04547	0.3
137.06546	0.3
138.05484	1.1
172.96864	0.1
178.07140	0.1
266.64166	0.1
268.10342	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	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.87710	0.2
56.53431	0.2
57.03424	0.5
60.95805	0.1
61.89294	0.1
69.03435	0.2
71.01344	0.2
71.48676	0.3
81.47662	0.2
85.02858	0.2
94.04059	0.2
110.38842	0.2
119.03523	0.7
136.06166	100.0
137.04582	0.3
137.06496	0.5
213.13727	0.2
268.10373	7.3
287.44357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1379
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.39418	3.1
52.26372	3.8
55.01862	8.1
55.05501	25.2
56.05013	5.9
57.03418	6.9
57.07051	5.6
58.06588	4.5
62.06061	3.8
65.03923	5.7
67.05494	51.0
69.03410	11.2
69.07060	34.2
69.12923	3.3
70.06581	41.8
71.04974	16.1
72.08143	6.9
79.05481	51.8
81.03441	4.1
81.07043	77.8
82.06534	3.9
83.04958	12.2
83.08574	8.7
84.04488	8.5
84.08151	18.2
85.06495	16.9
86.09712	17.7
91.05461	30.6
92.05798	4.0
93.07031	63.1
94.06586	4.4
95.04965	20.9
95.08594	66.9
96.08083	5.1
96.69791	3.7
97.06532	15.5
97.10130	4.4
98.21558	6.5
99.04456	13.1
101.06055	3.5
105.07005	47.0
107.04945	16.7
107.08570	50.1
108.08081	5.6
109.06506	18.1
109.10143	23.1
110.07164	16.6
111.08067	5.1
113.05992	3.5
117.07011	11.5
119.04937	5.1
119.08576	19.8
120.08077	21.5
121.06476	22.5
121.10151	15.2
122.09669	6.7
123.08070	5.5
123.11696	10.5
125.05991	23.9
125.09647	6.3
127.07561	6.5
129.10207	6.3
131.08534	20.6
133.06473	10.8
133.10097	10.8
135.08035	10.2
135.11674	28.9
136.06165	4.0
137.09613	5.7
139.07529	5.8
143.07022	4.9
143.08528	9.9
145.10101	69.9
147.11656	16.8
149.09633	4.7
149.13234	5.8
151.07532	5.9
153.05457	22.6
155.07016	4.3
157.10065	8.9
159.07964	6.7
159.11687	31.8
161.13228	8.2
163.11148	100.0
169.10100	8.0
171.07954	4.5
171.11638	7.3
173.09586	47.2
173.13187	4.0
181.12241	39.3
187.11160	23.1
189.12720	6.8
191.10609	20.3
197.09550	6.4
199.14807	7.1
205.12123	17.5
209.11656	4.4
213.12839	4.3
215.10689	28.6
215.17935	10.8
220.16882	8.5
222.14920	3.8
222.18497	14.6
223.18828	7.8
227.12698	22.0
229.90587	4.8
233.11768	31.2
233.18950	5.1
238.18013	16.5
238.68211	4.8
239.18544	11.5
240.19557	41.3
241.19775	17.4
251.12726	13.2
251.20212	21.1
251.67844	5.2
256.19055	4.6
260.19290	10.3
268.69144	56.2
269.12839	6.5
269.15594	7.3
269.19568	30.5
269.22629	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	267.1951
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.03927	1.8
55.01857	2.7
55.05508	18.9
57.03413	1.6
57.07067	2.0
59.04988	2.1
64.47250	1.0
65.03922	1.5
67.05496	42.2
67.26446	0.9
69.03427	1.3
69.07056	15.6
70.06575	6.3
71.04976	2.6
71.72311	2.5
72.08142	4.3
72.93770	1.1
79.05485	34.3
80.04942	1.0
81.03383	1.4
81.07044	39.1
81.07521	2.4
81.82735	0.9
82.97639	1.0
83.04961	1.9
83.08610	26.0
84.08128	2.9
84.22292	1.1
85.06525	5.0
90.94833	1.0
91.05470	32.5
93.07036	39.0
94.06564	2.6
95.04941	4.5
95.08595	28.1
95.09117	0.6
95.09221	1.0
96.08125	2.8
97.06522	7.6
97.10139	5.9
98.98438	1.8
99.08087	5.5
102.18212	1.0
105.07022	14.7
107.04956	2.2
107.07401	1.5
107.08577	25.7
108.08110	3.5
109.06500	4.5
109.10149	11.5
110.07149	1.8
111.08065	7.0
113.05978	1.4
113.09631	1.4
117.06982	3.4
119.08564	21.1
120.08096	4.3
121.06490	1.6
121.10133	47.4
123.08034	8.9
123.11700	2.5
124.11227	1.5
125.09604	4.2
127.07526	1.5
129.06966	1.3
131.08543	12.5
133.06479	1.0
133.10112	25.1
135.08037	7.2
135.11681	17.3
136.06174	9.9
137.09596	36.2
139.07527	1.9
139.11189	2.9
143.08545	2.1
145.10150	6.8
147.11682	10.7
149.09608	10.6
150.17152	1.0
151.07518	1.2
151.09958	1.7
151.11171	19.5
153.09081	10.8
157.10115	2.9
159.11671	2.9
161.13222	1.4
162.09230	1.5
163.11256	2.2
165.12737	2.3
167.10652	2.9
171.11684	3.3
175.14806	1.0
181.12210	1.1
185.13274	2.5
187.14850	1.1
189.16339	1.6
203.14285	2.7
203.17908	6.4
213.16333	15.5
218.15382	2.2
220.17020	5.1
221.19049	3.3
231.17409	22.6
236.16420	4.3
237.17165	6.2
237.67490	3.2
238.17999	7.5
240.19566	4.6
245.04729	2.7
246.17897	1.5
249.18469	100.0
250.18887	2.1
254.17418	1.8
266.67426	1.6
267.06662	2.5
267.10818	1.1
267.18448	19.2
267.19370	21.4
267.68439	5.6
285.07639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1952
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03926	3.1
53.74498	1.2
55.01850	3.6
55.05501	24.0
56.05018	2.1
57.03419	3.1
57.07064	3.5
64.90208	1.6
65.03954	2.4
66.78390	1.3
67.05495	47.6
67.84675	1.3
68.05000	1.9
69.03410	2.9
69.07063	21.6
69.36951	9.4
69.37375	7.6
70.06586	15.0
71.04983	4.1
72.08147	3.1
75.50344	1.3
79.05482	39.0
80.04976	1.7
81.03432	1.6
81.07044	49.6
82.06561	2.9
83.04987	3.2
83.08606	27.1
84.04523	2.1
84.08147	9.4
84.11708	1.3
85.06525	4.5
86.09696	3.7
91.05470	33.5
92.08223	1.2
93.06464	2.8
93.07028	41.4
93.07610	2.4
94.06551	5.9
94.96972	1.4
95.04952	7.0
95.08598	36.8
96.08112	5.6
97.06503	10.7
97.10136	7.6
98.98394	1.8
99.08067	4.9
105.03407	2.0
105.07019	18.6
107.04948	2.0
107.07380	2.4
107.08582	31.9
108.08128	6.7
109.06500	7.6
109.10141	15.4
111.08063	8.6
113.05995	2.1
113.09628	2.0
117.06969	4.9
119.08562	22.7
120.08070	7.1
121.06441	2.0
121.10126	45.0
122.09655	5.7
123.08060	7.2
123.11699	4.6
125.09632	5.9
129.10223	2.4
131.08556	10.7
132.08063	3.4
133.10107	29.9
135.08014	7.4
135.11661	18.5
136.06171	14.4
136.07127	1.6
136.07607	1.6
137.09589	32.1
139.07597	1.8
139.11176	5.3
143.08527	2.6
145.10095	8.5
147.07950	2.1
147.11656	17.1
149.09602	10.4
149.13216	1.9
151.03809	1.8
151.11151	19.7
153.09041	8.5
156.09325	1.3
157.10126	4.2
159.11679	2.2
161.09654	1.5
161.13240	2.4
163.11185	2.5
165.12697	1.7
167.10622	3.1
169.10081	1.5
170.11752	1.8
171.11655	6.5
185.13306	2.7
189.12698	1.9
189.16370	2.1
192.17567	1.7
203.14360	2.2
203.17961	5.8
213.16333	14.3
218.15353	4.3
220.16954	11.8
221.19058	2.6
222.18422	3.6
230.15268	1.6
231.17438	18.0
236.16441	6.0
237.17206	19.5
237.67398	4.1
238.18001	17.0
239.18260	4.3
240.19582	19.0
246.17799	6.7
246.67874	1.8
248.16531	1.9
249.18488	100.0
250.11214	1.8
250.18700	4.3
254.17572	5.7
258.15131	2.2
259.18338	1.4
266.18359	1.4
266.67355	8.7
267.11081	1.8
267.18018	69.9
267.68399	19.3
268.19101	7.0
276.16006	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	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03927	1.8
54.65137	0.7
55.01879	1.2
55.05503	15.7
55.05748	1.5
57.03437	1.4
57.06861	0.9
57.07073	10.1
57.12320	0.7
65.03931	2.5
67.05495	94.1
69.07057	17.3
69.75686	0.8
71.04980	1.2
71.08624	5.9
71.11703	1.9
77.25261	0.8
79.05045	1.6
79.05486	21.1
81.07047	100.0
83.04967	1.8
83.08611	13.1
85.06539	3.8
85.10161	2.3
91.05463	16.9
93.07030	23.8
95.04963	1.6
95.08593	85.4
96.08934	0.8
97.06529	8.1
97.10164	5.8
99.08085	5.0
105.07024	10.1
107.08582	12.8
109.10143	38.5
111.08076	4.1
111.11694	1.0
113.09611	2.8
119.08566	10.9
121.10126	14.2
123.08065	1.7
123.11695	18.9
125.09628	0.9
127.11137	2.0
133.10100	12.2
135.11681	10.1
137.09549	1.6
137.13214	5.9
141.12726	1.9
147.11665	10.9
149.13246	9.0
151.14813	7.5
151.92845	0.8
155.14270	2.0
155.57419	0.8
161.13228	10.2
163.14818	6.2
163.65042	0.7
165.16389	8.5
175.14822	7.7
177.16393	1.5
179.17897	3.9
180.58804	0.8
181.15884	1.6
189.16400	3.6
191.17972	0.9
203.17958	1.1
207.17380	0.9
245.22617	32.4
263.23669	83.6
264.24039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03935	0.2
55.05503	11.1
56.05017	0.5
57.05811	1.1
69.07043	0.2
70.06577	1.0
70.88335	0.4
70.88671	0.3
72.08144	100.0
73.08478	0.4
79.63536	0.2
84.04514	0.4
84.08137	0.6
86.09695	1.6
91.05472	0.4
101.06392	0.2
119.04926	0.6
119.77213	0.2
120.08085	12.5
129.10304	0.3
131.04927	0.3
147.04381	2.5
149.05902	0.3
166.08620	11.6
219.14879	0.7
244.91872	0.2
265.15439	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	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.5
59.37746	0.4
60.04531	0.5
61.02866	0.5
64.14805	0.5
67.70290	0.5
70.06585	1.0
70.13786	2.8
84.04490	1.4
84.08128	2.9
88.66164	0.4
90.37272	0.5
101.00861	2.0
118.14864	0.5
119.01910	10.5
119.84199	0.5
120.01163	0.8
120.01981	0.5
121.01741	0.5
121.78359	0.4
129.10228	1.0
137.02924	3.0
142.03447	0.7
158.97203	1.5
176.98404	0.9
177.00935	17.0
178.01021	1.0
179.49567	2.1
179.99854	0.5
182.99948	0.6
187.50101	0.6
191.00310	1.6
191.50278	0.5
193.03932	0.5
200.98320	1.3
201.00861	0.8
201.02524	1.3
212.49773	0.5
216.94955	0.6
217.04071	3.0
219.01979	22.0
220.02052	3.0
223.96957	0.5
223.99797	0.6
224.49890	0.8
224.98788	0.6
225.01031	1.7
228.99553	0.5
229.99893	0.8
234.96310	1.0
242.48729	0.5
242.99307	1.4
243.01854	8.4
251.46465	0.5
258.96521	0.6
261.03046	100.0
262.03198	2.1
263.03607	0.5
266.08115	0.8
283.97629	0.6
284.04584	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	267.1337
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
50.94803	0.4
53.20609	0.4
56.05028	18.6
56.49883	0.4
57.03427	2.6
58.06598	3.7
60.04522	0.6
61.46123	0.5
69.07050	0.9
70.06590	3.7
70.38689	1.5
72.08144	1.6
73.31074	0.4
73.91312	0.5
74.06070	100.0
75.04451	1.1
80.40710	0.4
81.07048	0.4
84.04500	4.6
84.08124	2.4
85.02898	2.4
86.09697	1.1
87.08102	1.9
88.03998	0.6
91.05463	2.4
93.07034	0.8
97.22732	0.4
101.07125	1.2
103.05456	1.8
107.04944	1.4
110.07168	1.2
119.04886	0.5
120.08090	53.3
121.06515	0.5
129.10228	1.8
131.04935	1.6
132.08154	0.4
136.06160	2.5
136.07535	1.8
137.89909	0.4
146.06041	0.7
149.05852	0.6
158.09621	0.9
160.11176	0.7
163.03952	0.7
166.08620	43.7
175.12015	0.5
176.10747	1.2
203.11743	1.4
221.12813	8.0
249.12286	6.2
267.13385	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	267.1951
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03937	2.5
55.01850	1.5
55.05500	20.6
56.05024	1.8
57.03388	1.3
57.07062	2.3
61.98117	1.4
63.82851	1.3
65.03940	2.0
66.12626	1.3
67.05492	43.7
67.05840	3.0
69.03397	1.9
69.07055	20.8
69.78236	9.0
70.06577	11.1
70.07411	1.6
71.04974	4.1
72.08160	1.5
79.05480	35.6
80.05017	1.7
80.91032	1.4
81.03412	1.4
81.07043	38.7
83.04967	5.2
83.08598	26.9
84.04485	1.5
84.08132	4.5
85.06532	4.3
86.09692	2.7
91.05472	33.3
93.07032	39.5
93.19086	1.3
94.06567	3.8
95.04963	6.0
95.08588	33.9
96.08109	4.2
97.06515	9.9
97.10180	6.6
99.08064	4.5
105.07012	18.2
106.06538	1.5
107.04962	2.1
107.07378	3.1
107.08573	27.8
108.08129	5.0
109.06506	5.3
109.10133	14.0
111.08053	8.0
111.11712	1.7
113.09644	2.1
113.40887	1.5
117.07008	5.1
119.08566	19.8
119.57346	1.3
120.08090	6.0
121.06511	2.1
121.08833	1.9
121.10126	46.6
122.09664	3.1
123.08062	8.3
123.11728	1.7
125.09619	6.6
127.07522	1.8
129.07011	2.1
129.10243	1.8
131.08511	10.7
133.10114	28.2
134.09573	2.1
135.08060	7.2
135.11652	17.6
136.06168	11.0
136.11162	1.5
137.06010	1.8
137.09595	31.7
139.07536	1.7
139.11179	3.0
143.08566	3.5
145.10107	5.5
147.11662	14.3
148.07483	1.5
149.09630	9.1
151.11166	22.5
153.09106	5.7
157.10109	2.6
159.11603	1.9
161.13254	2.7
163.11221	1.7
165.12659	2.2
167.10678	1.9
171.11700	3.4
182.78357	1.4
185.13216	1.8
189.16438	1.5
200.87575	1.4
203.14296	2.0
203.17876	7.2
208.17105	1.7
211.14845	2.5
213.16330	13.5
218.15411	4.8
220.16925	8.8
221.13376	1.8
221.19051	3.8
222.18559	3.9
231.17419	18.0
232.17863	1.5
236.16443	4.5
237.17188	11.6
237.67416	5.3
238.17975	13.3
239.18208	1.7
240.19553	14.7
241.19868	2.5
246.17842	4.2
249.18465	100.0
250.18452	3.1
254.17485	4.7
266.67349	9.7
267.17969	58.6
267.68390	14.9
268.18985	3.1
276.15875	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.72272	0.8
53.03929	1.0
55.05503	12.3
57.03428	1.6
57.07065	8.4
65.03915	2.5
67.05495	79.6
69.07058	16.1
70.09904	4.9
71.04973	2.3
71.08634	5.9
79.05482	17.5
81.07045	89.5
83.04973	1.9
83.08147	1.3
83.08606	14.4
85.06519	2.6
85.10159	2.9
91.05467	11.5
93.07027	22.0
95.04918	1.7
95.08593	73.9
95.53665	1.0
97.06527	6.8
97.10165	7.0
99.08095	5.5
100.35028	0.8
104.01978	0.9
105.07022	9.8
107.08572	13.4
109.06496	2.4
109.10143	39.3
111.08068	4.9
111.11701	2.0
113.09605	2.3
117.07029	1.2
119.08562	11.6
121.09327	1.5
121.10127	16.3
123.08025	2.0
123.11687	21.0
125.09619	1.2
127.11160	1.5
133.10115	14.8
134.39146	1.0
135.11668	7.8
137.09613	1.9
137.13239	9.0
139.11150	0.9
141.12704	2.6
147.11682	7.6
149.13240	8.7
151.14787	6.8
153.12674	1.1
155.14275	1.3
157.24443	0.8
161.13252	11.2
163.14786	10.0
165.16379	7.4
167.14354	1.2
175.14821	8.2
177.16306	1.6
179.17947	2.8
181.15843	2.1
189.16379	4.2
193.15956	1.2
203.17972	1.3
204.77254	0.9
207.06398	1.2
245.22626	32.8
263.20187	4.7
263.23669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	1.2
55.05250	1.4
55.05501	15.1
57.03426	1.7
57.07070	11.0
62.30461	0.7
65.03936	3.5
67.05497	85.3
67.69706	0.7
68.41089	0.7
68.74473	0.8
69.03397	1.1
69.07060	17.4
70.06586	1.3
70.54080	0.6
71.04987	1.6
71.08631	7.8
71.49449	1.0
71.49773	1.0
77.03917	0.9
79.05484	18.2
79.05948	1.1
81.07047	100.0
83.04965	2.2
83.08608	14.8
84.31062	0.8
85.06531	3.8
85.10172	3.3
91.05471	19.7
91.61390	0.7
91.62035	0.7
93.06126	0.9
93.07030	21.4
93.07615	1.1
95.04957	2.4
95.08595	91.9
97.06516	8.7
97.10167	7.2
99.08065	5.5
105.07019	11.3
107.08582	15.5
109.06536	1.3
109.10143	42.4
111.08067	4.5
111.11716	1.6
113.09628	2.8
114.65231	1.0
118.97506	0.7
119.08568	11.1
119.98706	0.8
121.10135	16.9
123.08011	3.6
123.11697	19.3
125.09613	1.4
127.11187	1.6
133.10133	14.5
135.11682	9.4
137.09610	2.2
137.13243	6.8
141.12741	1.8
145.09976	0.7
147.11661	9.0
149.13248	8.4
151.11165	1.8
151.14787	8.6
155.14304	1.8
161.13239	9.7
163.14803	10.1
165.16359	9.0
175.14793	7.6
177.16371	1.9
179.17950	4.1
181.15857	1.5
189.16307	3.8
193.15884	0.8
203.17946	2.2
207.06546	1.1
210.03981	0.7
213.30417	0.7
215.39636	0.7
217.19516	0.8
219.54773	0.8
245.22630	35.0
262.69131	1.5
263.14542	1.7
263.23666	92.1
264.24008	1.3
272.18649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.5
56.05025	14.5
57.05796	1.0
61.01139	7.2
69.07042	0.5
70.06580	14.5
71.15208	1.0
71.15580	1.1
72.08142	100.0
75.33092	0.4
77.69985	0.5
79.05505	0.5
84.04504	2.1
84.08126	2.4
86.09693	5.6
87.02662	2.6
88.03983	1.6
90.56522	0.5
91.05465	1.4
93.07030	0.8
102.25517	0.5
103.05455	1.4
104.05312	32.4
110.07146	2.1
110.09686	1.4
116.07079	27.9
119.04940	2.2
120.08083	27.9
121.08385	0.5
129.10197	0.9
130.06564	1.0
132.59151	0.5
144.06517	1.5
147.04674	23.0
155.11798	3.5
164.07375	81.1
165.07596	0.7
203.12128	3.6
215.13850	1.0
254.17590	0.7
263.14087	15.3
263.17981	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	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46949	1.1
51.94191	1.1
53.03936	2.1
54.04409	1.2
54.34475	1.2
55.05503	14.4
57.07079	11.0
65.03909	2.5
67.05498	82.9
69.06730	1.5
69.07063	17.2
70.06558	2.3
71.04974	2.1
71.08605	5.9
71.71405	1.6
79.05482	19.0
81.07047	100.0
83.04978	2.7
83.08603	13.9
84.08115	1.2
85.06504	4.1
85.10184	3.2
90.14013	1.4
91.05471	16.2
93.07027	25.6
95.04941	2.1
95.08597	85.1
97.06521	7.3
97.10139	7.2
99.08076	4.9
105.07017	10.9
107.08579	16.2
109.10145	48.0
109.10785	0.8
109.10917	1.5
111.08064	4.5
111.11697	1.6
113.09625	3.6
119.08564	13.2
121.10133	17.3
123.08043	2.7
123.11694	19.6
125.09595	2.0
127.11214	2.8
131.08540	1.3
133.10121	16.9
134.21310	1.3
135.11674	11.5
137.09601	3.9
137.13240	8.9
141.12813	1.4
147.11668	9.1
149.13260	8.4
151.11195	1.7
151.14853	6.7
155.14214	1.7
161.13263	13.3
163.14815	7.1
165.16362	9.0
175.14854	6.3
176.94662	1.3
177.16414	1.9
179.17950	2.4
179.50873	1.3
184.53119	1.3
186.96773	1.3
189.16362	3.0
203.17879	1.3
207.06543	2.9
217.19460	1.2
227.81908	1.4
228.65050	1.3
239.55646	1.3
245.22626	36.4
247.11580	2.8
248.12268	1.8
254.21242	1.5
262.69199	3.3
263.14709	23.6
263.19992	5.5
263.23679	96.8
263.70044	1.7
272.18582	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	263.1422
Annotation	Leu Met
Peak:m/z	Relative Intensity
53.79171	0.2
56.05029	2.9
61.00867	0.3
61.01146	1.2
69.07047	0.3
70.06581	1.8
71.66416	0.4
72.08134	0.6
74.06063	0.8
80.73009	0.3
84.04492	0.8
84.08126	1.8
84.08543	0.3
86.09693	100.0
87.10035	0.9
91.05459	0.6
93.89656	0.3
102.05524	0.6
104.05314	5.5
107.04910	0.4
107.91705	0.3
110.07136	0.5
110.74191	0.3
119.04884	0.3
120.08074	0.5
124.11227	1.0
129.10225	0.4
130.04962	0.8
133.03171	3.8
135.36121	0.3
136.07559	0.8
139.25262	0.3
147.04388	2.4
147.06532	0.3
148.04759	0.4
150.05818	16.5
161.02335	0.3
161.05974	0.5
169.13351	2.6
171.04401	0.5
175.07681	0.3
195.97812	0.3
215.13913	1.3
217.13655	1.7
263.14252	8.7
264.14490	0.3
267.78363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1421
Annotation	Met Leu
Peak:m/z	Relative Intensity
55.05508	0.5
56.05027	58.3
58.46793	0.3
59.61880	0.3
60.04510	0.7
61.01140	34.5
69.07063	0.6
70.06583	5.2
71.05607	0.8
72.08144	1.3
74.06067	6.2
84.04497	3.0
84.08130	5.0
86.09688	12.8
91.05492	1.8
98.09666	0.4
102.05565	0.5
103.05464	0.7
104.05312	100.0
105.07010	0.4
107.04882	0.4
110.07143	1.8
113.10767	1.1
116.07063	2.0
119.04922	2.5
120.08076	4.2
129.10220	2.1
132.08078	0.6
132.10191	4.1
136.07561	2.4
141.10176	2.0
146.05995	0.8
147.04372	8.7
169.13341	1.5
172.11559	1.7
188.07057	0.8
198.11211	1.3
199.12383	0.4
215.13878	8.1
217.13651	3.0
245.12781	0.9
246.11516	0.9
258.64508	0.4
263.14160	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	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47225	0.4
69.90186	2.3
69.90572	0.3
70.06619	0.4
73.02946	0.4
77.00909	0.7
77.51875	0.3
82.99883	1.4
84.00610	0.4
85.02884	0.6
94.06559	7.2
94.07114	0.6
95.01908	0.4
97.02875	0.5
101.00862	9.7
104.72324	0.3
105.00378	1.1
113.00883	1.5
119.01907	35.0
125.00862	0.4
131.01900	12.7
133.03474	0.7
137.02954	6.8
142.03465	1.0
143.01877	32.3
145.03468	2.3
149.02948	3.4
154.03525	0.5
155.01866	7.0
157.03436	3.8
159.01367	0.4
161.02936	100.0
162.03156	1.0
163.04443	0.6
167.01826	0.6
173.02946	22.8
175.04504	1.7
178.03444	1.8
179.03969	4.4
184.04543	6.1
185.02960	4.8
185.04608	0.6
187.04446	0.6
191.03986	14.6
196.04549	6.6
197.02927	0.8
203.03987	28.8
208.14784	0.4
209.05019	0.4
214.05635	0.8
215.03986	0.8
219.09789	0.6
221.05035	5.8
233.04970	1.5
237.10762	0.9
239.06082	3.0
244.06544	1.1
245.04976	1.0
251.46298	0.4
263.01804	10.3
263.06027	36.6
263.08588	3.6
263.15414	0.7
281.06931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50069	0.4
56.05024	3.6
57.03418	0.8
58.06586	1.1
58.99855	0.9
60.04523	2.7
60.05621	0.6
69.07056	0.9
70.02844	1.1
70.03248	1.9
70.06585	12.5
70.99879	0.5
71.06898	1.0
72.08147	4.5
73.02905	0.9
73.08462	0.7
74.06069	8.0
77.00901	1.1
79.17671	0.5
82.99863	1.8
83.06111	0.9
84.04493	10.8
84.08134	8.1
85.02885	1.7
86.09693	5.2
88.03975	0.6
91.05477	1.1
93.69990	0.6
95.06119	0.5
95.06800	0.6
97.02878	1.4
101.00864	15.0
102.05545	3.0
102.24908	0.5
103.86687	0.5
104.54880	0.5
105.00335	0.9
110.07155	10.4
112.08719	0.8
113.00860	2.1
113.07108	1.3
114.09210	0.5
115.02435	0.9
115.08746	0.5
116.07022	1.2
119.01908	38.5
120.08099	1.3
127.02293	0.6
129.10214	4.0
130.05009	1.1
130.08592	0.7
130.10594	0.6
131.01895	14.6
133.03455	1.2
134.08078	0.6
136.07571	3.2
137.02962	5.9
139.02403	0.8
142.03502	1.2
143.01875	30.6
144.06497	4.5
145.03448	2.9
145.04832	0.5
147.11278	0.9
148.06067	1.1
149.02962	2.4
155.01881	6.2
156.07695	1.5
157.03444	5.6
159.01405	0.7
160.04582	0.6
160.11739	0.5
161.02937	100.0
162.03110	0.6
162.07605	6.9
163.03978	0.9
167.01862	0.7
173.02942	22.8
173.40184	0.6
174.98584	0.5
175.04498	2.0
175.11865	1.1
179.04025	3.8
181.54726	0.6
184.04521	3.2
184.06000	1.0
185.02911	6.0
185.04399	0.7
191.03984	16.0
195.11382	0.5
197.02950	1.4
203.03986	27.0
214.05562	1.0
215.04004	0.9
216.99725	1.2
217.01778	0.6
219.63904	0.6
221.03082	1.1
221.04996	5.8
233.04990	1.2
239.06169	2.4
240.03322	0.6
245.01617	0.6
245.04980	1.4
245.11314	1.2
263.02927	5.4
263.06082	45.7
263.12320	3.3
263.15366	1.9
263.65247	1.5
281.07068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.87579	1.0
53.03929	1.8
55.05498	10.6
57.07044	4.4
65.03916	1.6
67.05496	27.9
69.03413	1.2
69.07056	9.1
69.26318	2.6
69.26736	9.5
69.45463	1.0
79.05476	40.6
81.07038	36.2
81.07521	1.5
83.04923	1.1
83.08595	5.3
85.06503	3.9
91.05462	18.1
93.07023	52.1
95.04940	3.7
95.08591	27.3
97.06503	3.0
97.10129	1.6
97.70163	1.0
99.08072	1.5
105.07008	13.7
107.08571	34.2
109.06501	1.6
109.10132	11.9
111.08071	3.0
116.12269	1.1
117.07018	3.0
119.08560	9.2
120.08067	2.1
121.10114	32.8
123.08027	1.6
123.11646	2.9
125.09624	1.6
131.08542	13.0
133.10127	8.2
135.07928	1.1
135.11667	23.8
137.13234	1.7
141.19257	1.1
145.10091	12.8
147.11650	9.0
149.13240	20.1
150.41594	1.0
159.11673	8.9
161.13213	11.3
163.14803	14.0
165.12724	1.4
173.13232	8.4
175.14758	2.6
177.16351	4.2
179.14180	1.5
187.14815	5.2
201.16373	2.5
203.17889	1.1
215.17883	1.6
233.22552	1.3
240.19411	2.4
243.21054	25.8
252.19812	1.1
260.69412	3.5
261.22089	100.0
262.19055	2.4
262.22391	1.3
264.74673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2373
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05480	0.5
57.07062	6.6
58.06585	1.2
58.97704	0.5
67.05449	0.4
69.64410	2.5
69.64813	1.1
70.06580	15.7
71.08615	4.0
72.08151	1.0
76.08810	0.4
84.08127	0.6
87.47308	0.4
88.07615	26.5
100.37399	0.4
102.09158	14.0
132.10153	0.5
146.11690	0.8
150.11198	0.5
156.17459	0.9
200.20058	47.1
244.22737	2.7
252.19446	0.6
262.19110	3.1
262.23734	100.0
263.19769	0.5
263.24106	2.1
273.36139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50129	7.1
70.01144	38.1
101.00858	15.6
103.96365	7.7
114.41295	6.5
119.01894	29.9
123.52040	7.8
131.01852	12.8
143.01865	32.9
155.01753	9.6
157.03465	7.8
161.02956	76.9
173.02924	25.0
191.03989	16.6
203.03975	29.0
218.01477	6.9
263.01627	100.0
263.05753	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.53600	0.4
53.03934	1.3
55.01867	0.7
55.05502	9.6
57.03428	0.8
57.07065	3.2
65.03930	1.2
67.05495	30.6
69.03427	0.3
69.06709	0.6
69.07059	7.8
69.62865	3.2
71.04987	2.0
71.08623	1.3
77.03860	0.4
79.05481	37.5
80.05844	0.4
81.07046	35.5
83.04955	0.7
83.08610	5.2
85.06528	3.1
91.04886	0.8
91.05465	20.6
93.07030	52.5
94.07359	0.8
94.47126	0.3
95.04964	3.0
95.08592	28.0
97.06503	2.8
97.10162	2.0
99.08079	3.4
100.16727	0.4
105.04472	0.7
105.06297	0.4
105.07014	13.4
107.08579	34.7
108.08862	0.4
109.06509	1.6
109.10139	11.6
111.08076	3.4
111.11708	0.7
113.09623	1.3
115.05402	0.4
117.06999	5.8
119.08561	11.3
121.10126	32.2
122.10461	0.6
123.08057	1.1
123.11671	3.6
125.09604	0.8
127.11203	0.6
130.07822	0.5
131.08543	11.6
131.09492	0.6
133.10112	10.2
135.08080	0.5
135.11674	26.2
137.09619	1.2
137.13252	1.2
139.11163	0.9
141.12650	0.4
145.10114	11.5
145.11275	0.6
147.11674	10.1
149.09610	0.7
149.13239	21.3
151.11131	0.9
151.14774	0.6
151.79552	0.3
153.12738	0.7
157.10204	0.4
159.11670	8.9
161.13229	9.9
161.14561	0.5
163.11176	0.5
163.14796	17.6
165.12747	1.2
170.92128	0.3
171.11665	0.4
173.13258	7.7
174.13618	0.5
175.14786	3.4
177.16347	5.0
179.14331	1.1
187.14807	5.8
189.16335	0.8
191.14203	0.6
201.16408	2.7
203.18022	0.4
205.15869	0.9
215.17902	1.0
217.19557	0.6
219.17442	0.8
232.52518	0.3
233.22641	1.2
243.21051	30.1
244.21402	0.6
252.43346	0.4
261.22104	100.0
262.14389	0.4
262.22394	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
51.25470	0.3
53.03947	1.7
55.01854	0.6
55.05503	9.3
57.03427	1.1
57.07060	2.9
65.03927	1.0
67.05495	30.1
69.06700	0.6
69.07056	8.1
69.88384	2.1
71.04984	1.8
71.08613	1.3
77.03947	0.8
79.05480	39.8
80.05829	0.5
81.03415	0.4
81.07045	34.2
83.04973	0.5
83.08604	5.4
83.94502	0.3
85.04020	0.3
85.06536	2.2
91.05467	19.2
93.07030	53.5
94.07371	0.5
95.04968	3.9
95.08591	26.9
96.01205	0.3
96.08922	0.5
97.06512	2.6
97.10155	2.3
99.08085	2.8
105.06480	0.3
105.07013	13.0
107.08577	34.9
108.08926	0.4
109.06501	2.0
109.10139	11.2
111.08068	2.2
111.11736	0.5
113.09641	1.0
117.07000	5.6
119.07904	0.2
119.08560	11.2
121.10126	33.2
123.08072	1.0
123.11689	4.5
125.09621	1.0
129.07019	0.4
131.08551	10.8
132.08917	0.4
133.10112	9.3
133.56483	0.3
135.11670	27.1
136.11983	0.4
137.09581	1.2
137.13246	1.0
139.11176	0.6
143.08498	0.4
144.09360	0.4
145.10103	11.3
147.11676	8.3
149.09589	0.5
149.13240	19.8
151.11143	0.8
151.14827	0.5
153.12700	0.5
159.11671	7.1
161.13245	8.3
163.14796	15.5
164.15211	0.4
165.12759	1.0
173.11734	0.4
173.13234	7.9
175.14807	3.3
177.16351	4.4
179.14293	1.1
187.14806	5.9
191.14172	0.4
200.12132	0.3
201.16385	2.4
205.15775	0.6
215.17918	1.0
219.17416	0.5
233.22643	1.1
243.21051	25.3
244.21346	1.1
261.22101	100.0
262.19855	0.5
262.22446	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30726	0.3
53.03931	1.4
55.05249	0.6
55.05503	9.2
57.03414	0.9
57.07064	2.5
65.03926	1.3
67.05495	28.9
69.06705	0.6
69.07061	8.8
69.07437	0.6
69.53984	2.2
69.54398	1.0
71.04989	1.6
71.08613	0.9
73.60139	0.3
77.03901	0.7
79.05480	41.5
80.05801	0.6
81.07045	33.8
83.04954	0.7
83.08611	5.7
85.06528	3.1
91.05466	19.9
93.07031	55.0
95.04958	3.6
95.08591	27.0
97.06529	2.4
97.10154	3.0
99.08075	2.7
103.05415	0.5
105.04511	0.7
105.07015	12.9
107.08578	37.9
109.06504	1.4
109.10139	10.7
111.08050	2.2
111.11664	0.4
113.09610	1.0
117.07013	5.1
119.08564	11.8
121.06529	0.4
121.10127	31.3
122.10594	0.3
122.11601	0.3
123.08051	1.3
123.11703	3.9
125.09611	1.0
127.11230	0.4
129.06963	0.5
130.02570	0.3
130.07759	0.3
131.08545	10.9
133.10115	10.2
135.11673	25.8
137.09589	1.4
137.13254	1.0
139.11157	0.5
143.44907	0.4
145.10100	10.1
147.10471	0.4
147.11661	9.2
149.09602	1.0
149.13240	21.8
151.11136	1.1
151.14890	0.4
153.12698	0.8
157.10161	0.4
159.11678	8.2
161.13234	8.7
163.11179	0.5
163.14801	16.0
164.15213	0.4
165.12758	0.9
173.13235	8.1
175.14806	4.0
177.12592	0.4
177.16400	4.2
179.14261	1.4
185.13225	0.5
185.59862	0.4
187.14787	5.3
189.16324	0.5
201.16434	1.7
205.15842	1.0
215.17952	1.6
217.19574	0.5
219.17375	0.6
233.22641	0.8
238.41492	0.4
243.21057	25.1
244.21423	0.7
260.69223	0.4
261.22104	100.0
262.22485	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.56867	0.5
53.03933	1.5
55.05273	0.5
55.05510	9.1
56.79732	0.5
57.03418	0.8
57.07055	2.5
57.61740	0.6
63.89392	0.5
65.03944	0.8
67.05496	26.4
69.07061	8.8
69.32574	0.5
69.51199	5.3
69.51537	0.5
71.04962	1.6
77.03928	0.7
77.76038	0.5
79.05487	35.0
81.07047	33.9
83.08605	5.3
85.06522	2.3
85.51631	0.5
91.04901	0.7
91.05470	18.0
93.07033	53.7
94.07386	0.7
95.04954	3.5
95.07970	0.8
95.08595	25.7
97.06509	2.0
97.10143	1.9
99.08071	2.2
105.07017	12.0
107.08580	35.8
109.06500	1.2
109.10136	10.1
111.08036	2.1
113.09636	0.7
116.06085	0.5
117.06989	4.4
119.08566	11.2
121.10130	30.2
123.08062	0.6
123.11697	3.1
125.09630	0.8
131.08530	9.2
133.10118	8.3
135.11673	26.9
137.09612	1.3
137.13249	1.2
145.10117	9.9
147.11656	7.8
149.13243	18.8
153.12700	0.7
159.11670	7.7
161.13232	9.0
163.13426	0.8
163.14801	15.4
173.13254	7.1
175.14844	3.1
177.16348	4.1
179.14287	1.0
187.14783	3.7
201.16364	2.0
205.15849	1.2
215.17876	1.5
233.22540	0.8
243.21063	21.5
244.21278	1.1
261.22107	100.0
262.22412	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	1.8
53.04172	0.3
55.01860	0.7
55.05230	0.4
55.05500	8.1
57.03426	1.4
57.07071	2.4
65.03923	0.9
67.05492	27.8
69.07059	8.4
69.14560	0.3
69.50856	3.4
71.04963	1.6
71.08607	1.2
72.08132	0.3
77.03913	0.5
77.05826	0.4
79.05479	39.1
80.05811	0.4
80.06271	0.4
81.07043	32.7
83.04952	0.8
83.08601	4.4
85.06538	2.7
91.05463	19.0
93.07028	49.9
94.07354	0.6
95.04951	3.3
95.08591	26.5
96.26332	0.3
97.06508	2.3
97.10164	1.7
99.08060	2.3
105.04472	0.5
105.07013	12.8
107.08578	34.9
109.06499	1.3
109.10137	10.8
111.08070	2.6
111.11683	0.4
113.09619	1.0
117.06998	4.6
119.06051	0.4
119.07692	0.4
119.08567	10.7
121.10125	31.5
122.10434	0.4
123.08000	1.0
123.11685	3.5
125.09598	0.9
131.08551	11.8
133.10106	9.7
135.08086	0.4
135.11670	25.9
137.09573	1.0
137.13217	1.1
138.32347	0.3
139.11151	0.9
143.08539	0.5
145.10100	10.3
147.11668	9.3
149.09572	0.4
149.13235	20.7
150.13605	0.4
151.11179	0.8
151.14796	0.7
153.12639	0.5
159.11678	8.7
161.13237	9.5
161.14584	0.5
163.14798	15.9
165.12718	0.8
171.11681	0.4
173.13228	8.3
175.14781	4.0
177.16330	4.9
179.14302	1.5
185.13121	0.4
187.14783	4.9
188.15265	0.4
189.16243	0.4
191.14299	0.5
201.16354	2.7
205.15756	0.7
215.17952	1.2
219.17393	0.8
233.22560	1.3
243.21042	27.0
244.21303	0.9
261.22092	100.0
262.19522	0.5
262.22421	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	261.1443
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
55.05514	0.6
56.05030	1.3
60.04520	1.5
60.05632	0.3
61.01163	0.4
61.15734	0.3
69.07059	1.0
70.06580	5.7
70.47570	0.8
72.08138	6.2
73.08482	1.3
74.06077	0.8
74.33393	0.3
83.06097	0.5
84.04490	9.6
84.08128	9.5
85.02912	0.7
85.08450	2.9
86.09691	100.0
87.10017	2.3
88.51680	0.3
97.02887	0.5
98.98451	0.5
101.00858	0.8
102.01750	0.5
102.05517	4.1
104.05318	0.5
110.07150	2.5
112.07591	1.2
115.08681	0.4
119.01897	3.3
119.04916	0.5
120.08100	0.7
121.01639	1.4
129.10217	3.6
130.04970	4.8
130.08611	1.9
130.10579	0.7
131.01920	1.3
131.08951	0.6
132.10141	1.2
132.95818	0.5
133.01636	1.0
133.03429	0.9
135.03242	0.5
136.07503	0.8
137.02931	1.2
143.11774	1.3
144.06500	0.7
144.12163	2.2
145.03410	0.5
147.07631	0.7
147.11230	1.9
148.06023	20.1
148.11646	0.7
149.02962	0.4
156.07687	0.6
158.13689	0.4
161.02942	0.7
161.06572	0.4
162.07611	1.6
163.02644	0.5
163.08472	0.3
171.11237	0.8
172.11635	0.9
173.02893	0.4
175.11961	0.4
177.00867	0.6
179.02151	0.4
187.04437	0.9
191.03990	0.4
197.03360	0.4
197.12769	1.0
201.00725	0.7
201.02399	3.0
204.11656	0.4
205.05585	0.4
215.02139	0.5
215.03949	0.9
215.13870	0.7
219.03554	4.3
226.10684	0.5
233.03230	0.5
233.07600	0.4
234.96771	0.4
243.13316	1.9
244.17001	0.4
252.97932	0.9
261.02875	3.4
261.05731	2.6
261.14359	15.9
261.19965	2.7
279.03888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03933	1.7
55.05502	16.0
57.07055	2.8
59.04971	1.6
65.03911	1.9
66.80405	1.3
67.05495	6.8
69.07059	9.0
70.01134	7.1
70.06578	2.1
71.04969	1.9
73.06529	1.5
75.60432	1.3
75.78862	1.3
79.05489	9.2
81.07047	23.8
83.04969	2.9
84.08120	2.5
85.06528	4.4
91.05468	13.0
93.07040	18.1
95.08583	13.7
99.04462	7.0
101.05997	5.4
105.07019	60.0
107.08582	21.4
109.06516	2.3
109.10147	6.7
117.06999	3.9
119.08569	60.1
120.08076	3.5
121.06504	1.2
121.10129	27.8
123.08060	1.5
129.06946	1.4
131.08559	7.1
133.10139	11.8
135.08035	2.7
136.07521	1.3
143.08533	5.5
145.10117	23.0
146.10869	1.9
147.11670	56.3
149.09653	2.6
153.09184	1.8
157.10085	4.6
159.11674	13.2
161.09619	1.9
161.13206	10.8
167.10576	1.5
169.10147	6.5
171.03040	3.1
171.11684	3.4
173.13237	5.9
183.11659	4.9
187.11171	1.6
191.10593	1.4
197.13203	3.0
199.14801	3.2
201.12746	3.6
201.16374	10.4
201.53310	1.3
202.12276	3.1
203.12981	3.6
205.12192	2.5
206.08064	3.0
215.14330	1.4
225.16394	14.4
232.09644	1.9
236.16231	1.3
238.18082	1.7
239.38815	1.4
240.19473	6.7
243.17400	12.1
246.11295	13.3
247.11984	8.4
260.69412	5.6
261.18451	100.0
262.14359	84.6
262.17447	1.7
262.18912	5.5
269.19513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
53.03930	1.8
55.01851	0.5
55.05252	0.7
55.05503	8.8
57.03426	1.1
57.07076	2.6
65.03931	1.2
67.05495	29.6
69.07056	9.2
71.04977	1.6
71.08625	0.7
77.03935	1.0
79.05482	39.2
80.05839	0.4
81.07046	36.5
83.04959	0.7
83.08609	4.9
85.06528	2.8
91.05467	18.7
93.07030	55.4
94.07370	1.0
95.04956	4.0
95.08593	26.5
97.06512	2.0
97.10146	2.2
98.21590	0.7
99.08095	2.8
105.04510	1.0
105.07012	13.0
107.08580	35.5
108.08916	0.5
109.06508	1.4
109.10144	10.6
111.08064	2.5
113.09658	0.4
117.06995	4.8
119.06049	0.5
119.07916	0.3
119.08559	11.7
121.10127	30.9
123.08015	1.2
123.11671	3.1
125.00391	0.4
125.09589	0.9
131.08554	10.9
133.10114	10.9
133.10878	0.3
135.11673	25.9
137.09622	0.9
137.13242	1.1
139.11136	0.5
145.10109	11.0
147.11671	9.1
149.09615	0.6
149.13237	21.2
149.67200	0.4
150.13602	0.6
151.11165	0.9
151.14778	0.7
153.12747	0.5
159.11670	8.1
161.13232	10.1
163.11163	0.5
163.14806	16.7
165.12733	1.2
173.13258	7.8
175.14799	3.4
177.16379	4.9
177.83553	0.4
179.14302	1.3
187.14799	5.9
189.16315	0.8
191.14420	0.5
201.16406	2.7
203.17961	0.4
205.15828	0.8
215.17982	1.3
219.17412	0.6
233.22580	1.3
243.21062	25.2
244.21498	0.5
261.22107	100.0
262.19373	0.7
262.22415	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	260.1968
Annotation	L-Leucyl-L-lysine
Peak:m/z	Relative Intensity
54.79977	0.4
55.01869	0.5
55.05501	1.8
56.05022	3.4
60.04513	1.8
67.05479	0.7
69.07058	5.1
70.06582	4.9
71.17245	1.1
71.17588	0.4
71.39685	0.4
72.08146	24.1
74.06067	1.1
79.33149	0.4
83.06107	0.6
84.04495	28.4
84.08133	95.7
85.02895	0.7
85.04815	0.7
85.08422	1.1
86.06068	0.5
86.09694	100.0
87.05598	0.4
87.10028	1.2
93.71922	0.4
97.02905	0.5
100.07572	0.5
101.00852	0.9
101.07130	3.5
101.10773	3.2
102.05522	1.6
103.02460	0.8
110.07134	1.5
112.07552	0.7
112.08729	0.5
115.02401	0.6
115.08664	0.8
115.12328	0.6
116.07061	0.7
119.01910	3.3
120.02012	0.8
127.08692	0.4
128.39659	0.5
129.06538	0.4
129.10225	26.4
130.04988	49.9
130.08624	21.4
130.10608	0.8
131.01881	0.6
131.05417	0.8
131.11838	2.1
132.10251	0.5
133.03415	1.4
136.06232	0.6
141.10184	0.6
143.10709	0.8
143.11781	12.0
144.10178	1.8
145.03510	0.6
147.07628	67.2
147.11272	25.3
156.07620	0.7
157.53580	0.4
161.02953	0.8
161.09174	0.7
161.12827	2.0
162.03035	0.6
171.11304	6.7
175.11803	0.5
177.00954	1.2
189.12387	0.8
197.16429	1.1
208.66951	0.4
215.13963	0.5
219.01877	1.7
221.04977	0.7
225.12312	0.6
225.15880	1.1
226.10709	1.1
229.03149	1.9
242.14931	0.6
242.18633	3.8
243.02116	0.8
243.13365	6.8
243.16997	5.8
260.16025	22.8
260.19632	33.0
261.02991	9.1
261.05783	5.8
261.09665	3.1
279.09277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.9
56.05027	1.4
57.03403	2.5
58.22966	0.6
60.04505	0.9
61.02882	0.7
66.21663	0.5
69.03403	0.5
70.02901	0.7
71.17033	0.7
71.17351	0.9
74.00645	2.7
74.15868	0.4
81.03374	1.1
82.06533	0.8
84.04487	22.4
84.08125	21.3
85.02881	3.2
85.04813	0.8
85.08434	0.6
87.05554	1.2
88.03980	0.6
97.02858	1.2
98.98466	1.0
101.00833	2.3
102.05516	1.1
109.02839	1.2
110.06025	3.6
119.01898	9.7
120.19943	0.6
121.01649	1.0
126.99561	0.5
127.03863	0.9
129.10216	8.5
130.04964	5.2
130.08607	1.8
131.01836	1.1
131.81905	0.5
133.05986	0.8
134.99783	0.7
137.02908	2.5
142.03435	1.9
144.05006	1.0
145.00456	0.9
145.03452	0.7
147.11235	1.7
156.97430	0.7
157.00438	1.0
157.52890	0.6
158.97183	2.2
160.04497	0.9
160.93367	0.9
161.02890	1.2
163.03831	1.3
166.00851	0.8
166.99257	0.6
167.06609	0.8
169.56541	0.6
173.02823	0.6
173.98901	0.7
176.96782	0.8
176.98251	4.0
177.00900	14.3
178.01013	0.8
178.94356	0.6
181.06097	0.8
185.49495	0.7
185.96931	1.6
186.06084	0.9
189.02502	1.0
194.99414	0.7
196.04437	0.9
196.95377	2.5
197.47650	1.3
200.04147	0.8
200.98216	1.5
201.00711	0.8
207.00038	0.7
207.98724	0.7
208.01974	2.9
208.52118	0.8
209.09218	1.1
213.07129	1.7
214.05490	0.6
214.96562	66.4
215.11070	0.6
215.96617	3.6
216.96637	0.8
217.02475	2.4
217.04144	1.7
217.52576	1.3
218.99329	3.9
219.01933	19.6
219.97142	1.0
220.02023	0.9
221.05119	0.8
225.00948	2.2
225.48648	0.6
225.95126	1.2
226.03008	2.1
226.11929	0.9
228.45383	0.6
229.02411	1.2
229.52962	9.3
229.99480	0.6
230.03133	1.8
231.08173	1.5
232.96533	9.7
234.97549	0.7
237.45612	1.9
237.98117	38.6
238.53528	6.5
238.95464	1.7
238.97948	1.1
239.99709	0.6
243.01852	7.5
243.14479	0.6
244.12785	1.3
246.48296	1.0
246.97890	0.8
249.00206	2.6
250.04315	1.0
252.53128	2.6
253.03293	1.2
255.95171	1.9
255.98161	5.2
256.96539	15.2
258.50797	0.6
259.00687	0.6
259.46802	0.7
260.99670	10.4
261.02972	100.0
261.15491	6.5
261.53906	1.9
261.97052	0.8
261.99667	1.0
262.03137	4.6
267.08255	0.6
274.97614	6.3
278.91702	1.8
279.98163	5.2
284.04688	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	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.76471	3.2
55.05504	15.2
57.07063	8.2
61.56419	3.5
67.05494	13.9
69.07058	35.4
69.92288	4.2
71.04980	38.3
71.25458	8.2
76.91980	3.7
79.05479	9.8
81.07044	20.3
83.04983	4.8
83.08595	12.4
85.06534	22.7
88.95997	3.9
91.05455	17.2
93.07032	15.7
95.08600	26.4
97.06483	4.6
100.79755	3.8
105.03379	11.8
105.07014	36.1
107.08575	22.1
109.06496	9.9
109.10135	18.1
111.08052	20.2
117.07021	5.0
119.08557	61.3
121.10147	11.4
123.11700	25.9
129.01787	8.5
131.08565	10.5
133.10109	39.4
135.08066	27.3
135.11653	5.6
137.09561	8.6
142.07794	4.2
143.08540	9.9
145.10103	36.6
147.11668	15.7
157.10127	15.3
158.53482	4.3
159.11687	32.1
161.13245	50.2
161.70926	4.4
171.11697	12.7
173.13222	8.8
175.14807	99.7
177.16331	4.7
185.13232	21.1
189.16339	7.6
190.13403	5.5
199.14737	6.2
201.14848	3.8
201.16373	25.3
203.14252	6.6
206.36247	3.5
212.70010	4.2
215.17978	6.4
239.18515	5.0
241.19476	19.8
243.93404	4.0
253.39093	4.0
259.14719	5.6
259.20563	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	260.1602
Annotation	Leu-Ala-Gly
Peak:m/z	Relative Intensity
51.91838	0.5
55.05497	1.6
56.05028	2.6
60.04511	1.3
60.05614	0.5
62.09766	0.5
69.07059	1.6
70.02959	0.7
70.06592	4.5
71.03696	1.6
72.08141	17.5
74.02443	1.3
74.06065	1.7
75.05602	0.6
83.04974	0.5
83.06085	5.5
84.03978	0.8
84.04493	21.5
84.08132	23.8
85.02918	0.7
85.04819	1.1
85.06525	0.8
85.08462	0.8
86.09692	100.0
88.03947	0.7
101.07137	1.5
101.10734	0.7
102.05541	1.3
110.07119	0.8
116.07038	1.3
129.06625	0.7
129.10217	9.2
130.04984	1.3
130.06537	1.6
130.08612	7.6
131.08932	0.7
132.10199	3.3
143.11766	6.8
144.06546	13.8
147.07671	1.5
147.11264	9.5
157.07655	1.3
157.13342	40.3
161.09181	12.9
171.11278	2.5
172.04286	0.7
175.11920	1.1
185.12825	17.9
189.12332	5.6
197.12874	3.2
211.42079	0.7
233.22200	0.5
242.14972	6.5
242.18642	1.1
242.25195	0.5
243.13345	6.0
243.17090	1.1
260.13458	1.0
260.15933	4.2
260.19601	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	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05499	2.0
56.05019	2.8
60.04515	2.1
67.05508	0.7
69.07053	4.6
70.06579	6.6
70.06941	0.6
70.11539	2.3
70.11951	0.9
72.08146	27.8
74.06068	1.6
83.06107	0.4
84.04495	27.4
84.08131	77.4
85.02906	0.5
85.06568	0.5
85.08452	1.0
86.09694	100.0
87.10017	1.0
90.05539	1.0
97.06528	1.1
97.51121	0.5
100.07572	0.5
101.00863	0.5
101.07125	4.8
101.10764	3.1
101.66789	0.4
102.05520	1.7
102.09215	0.4
110.07127	1.2
112.07576	0.5
112.08729	0.7
116.07092	0.8
119.01884	2.8
120.02008	0.9
120.08105	0.6
129.06607	0.6
129.10223	25.6
130.04985	56.1
130.08620	18.4
131.01932	0.7
131.05426	0.5
131.11777	2.5
132.95755	0.6
133.03487	1.0
136.06102	0.8
137.02917	0.6
138.03021	0.5
143.01857	0.8
143.11778	19.6
144.10188	1.6
147.07625	71.8
147.11264	21.7
148.06041	1.2
155.01871	0.5
157.07713	0.6
157.13373	1.1
159.11122	0.5
161.09210	0.6
161.12822	1.3
171.11264	9.8
173.09225	0.6
175.04456	0.6
175.11827	0.7
177.00929	1.1
189.12392	1.0
197.16354	0.7
215.13847	0.5
219.01967	1.4
221.04988	1.0
225.12350	1.1
225.15915	0.8
226.10783	1.3
229.03302	0.6
242.15063	1.0
242.18581	3.4
243.13350	6.9
243.16956	3.6
244.43938	0.5
260.13269	1.1
260.16034	22.8
260.19638	26.9
261.03003	8.6
261.05743	3.9
261.09171	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	256.1903
Annotation	N-decanoyl-L-Homoserine lactone
Peak:m/z	Relative Intensity
51.64838	0.3
55.05512	1.3
57.42384	0.2
62.48181	0.3
67.05489	1.1
68.05029	0.6
69.07060	1.7
70.06580	1.3
71.44986	0.4
79.05477	1.5
81.05754	0.4
81.07056	1.4
82.06558	0.9
83.08595	0.7
91.05441	0.7
92.40919	0.3
93.07022	1.1
94.06564	1.8
95.07310	0.4
95.08591	0.6
96.08115	3.4
97.10201	0.3
105.07021	0.5
107.07304	0.8
107.08568	0.6
108.08099	1.9
109.08136	0.3
109.08872	0.7
110.09656	1.1
114.65573	0.2
119.08518	0.4
120.08107	0.4
121.08872	0.4
121.10100	0.5
122.09672	1.4
123.10461	0.5
124.11215	0.8
135.11679	0.3
143.34998	0.3
145.10036	0.4
170.11784	0.4
192.17487	0.3
198.14839	0.5
201.45952	0.3
201.58081	0.3
202.15814	0.6
218.15382	0.8
220.16940	13.7
238.17979	22.0
239.18303	0.5
240.02428	0.3
252.72679	0.3
256.19040	100.0
257.19397	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	257.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29678	0.3
50.92403	0.2
52.69804	0.2
53.52090	0.2
57.88385	0.2
58.06597	0.2
65.03928	1.0
67.05479	0.3
69.91278	0.4
69.91681	1.3
70.06580	0.7
81.07037	0.3
87.80575	0.2
88.07600	0.3
91.05460	100.0
92.05766	0.6
93.16463	0.2
106.06506	0.3
108.08097	11.0
115.48907	0.2
125.91426	0.2
139.01675	0.2
139.93359	0.3
162.32805	0.2
181.10126	0.5
240.19383	0.3
241.19949	0.6
244.80283	0.2
256.26508	0.3
256.68967	0.4
257.08096	1.8
257.10989	20.5
257.19238	0.9
257.21844	0.3
257.26593	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	258.2055
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
50.36924	0.2
52.46637	0.3
55.05504	2.2
56.05007	0.7
57.03403	0.8
58.06589	2.8
62.80404	0.3
67.05496	4.1
69.07052	2.5
70.06580	14.1
71.04966	0.6
71.76817	0.3
72.08131	0.7
79.05475	1.6
81.07041	7.9
82.06537	0.9
82.07362	0.3
83.04942	0.4
83.08569	1.1
84.04460	0.8
84.08127	1.5
85.06516	0.7
86.09705	2.3
91.05442	0.6
93.07030	1.9
95.08588	6.8
96.08095	0.6
97.06487	0.6
97.10140	0.4
98.09653	0.9
105.06989	1.1
107.08559	1.1
109.06480	0.3
109.10142	1.4
110.07131	0.3
110.09653	0.4
119.07213	0.3
119.08527	0.9
121.10120	1.5
123.08011	0.4
123.11648	0.9
129.10179	0.4
135.08066	0.3
140.10646	0.5
145.10094	0.3
147.11633	0.7
158.11624	0.3
187.14809	0.5
194.18979	0.4
202.62206	0.3
215.88300	0.3
220.17085	0.4
222.18486	15.9
223.18886	0.6
238.17973	0.9
240.19542	47.6
241.19894	1.4
258.20605	100.0
259.18552	0.5
259.20929	2.6
271.43439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2158
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03918	1.5
55.01856	2.2
55.05502	67.5
57.03420	2.4
57.07061	16.4
65.03933	1.6
67.05128	2.0
67.05493	51.2
69.07054	100.0
70.06563	5.0
70.23273	2.8
70.23692	5.1
71.04970	5.3
71.08602	3.1
71.42461	1.6
73.06554	1.6
79.05482	24.2
81.07042	77.8
83.04964	5.5
83.08602	66.3
85.06525	8.1
85.10146	3.8
91.05460	22.7
93.07020	33.4
95.04940	2.0
95.08592	71.9
96.08883	1.7
97.06503	11.9
97.10149	55.0
98.97860	2.8
98.98454	40.3
99.08074	7.8
105.07019	19.5
107.08576	18.9
109.06525	3.3
109.10134	36.0
111.08070	7.5
111.11693	20.3
113.09591	3.3
113.44996	1.5
115.07530	2.3
119.08566	22.9
120.08057	3.3
121.10116	35.5
123.08054	6.7
123.11678	19.4
125.09632	6.5
125.13225	4.5
131.08623	2.1
133.10112	25.9
135.10655	3.3
135.11646	29.6
137.08685	1.6
137.09554	9.0
137.13191	7.8
139.11169	8.4
141.09026	2.1
147.11665	20.3
149.13226	7.3
151.11198	8.0
151.14804	8.7
153.12715	6.8
159.00661	1.5
161.13235	16.6
163.07411	1.4
163.14833	1.9
165.12743	11.6
168.94896	1.6
169.12221	2.1
171.13635	1.6
175.14806	6.2
176.22488	1.6
177.16273	1.8
179.14264	7.3
182.35080	1.7
189.16374	2.1
191.17905	4.2
193.15898	1.9
193.19473	8.8
195.37704	1.7
217.19492	49.8
217.21571	3.0
218.15375	1.8
218.19872	2.0
220.16888	2.7
235.20529	37.6
235.22804	2.8
236.16409	3.4
236.20908	2.7
238.17979	4.5
239.18304	1.9
240.19531	7.1
252.67838	1.8
252.69801	20.4
253.16222	2.1
253.18579	5.0
253.21721	35.9
253.68567	1.8
254.17377	22.1
254.21625	2.0
265.19617	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88767	9.7
53.51273	7.6
55.01851	8.4
55.12736	7.1
70.06583	14.3
70.34797	28.8
72.08128	17.5
74.34557	7.1
83.06100	7.3
84.08128	9.7
98.98425	17.7
110.07147	100.0
119.14059	8.1
120.08086	11.2
123.05534	40.5
124.03925	22.3
138.06456	8.7
156.07658	55.4
237.13326	11.4
254.95038	7.4
255.06259	80.7
255.14499	27.1
263.84967	7.7
265.76727	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	255.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
56.05029	2.7
57.45100	0.7
60.04516	1.4
60.97011	0.9
64.59000	0.8
67.66316	0.7
69.03419	1.4
69.07065	2.9
69.90231	4.3
70.06584	28.6
70.61887	0.7
72.08143	8.6
74.06081	1.0
80.64505	0.7
83.06110	2.4
84.04494	3.6
84.08134	10.1
85.02892	2.2
86.09696	42.2
93.04512	1.3
95.06081	1.9
97.02878	1.0
97.06522	3.6
98.06043	1.7
98.70909	0.8
98.98491	1.6
100.02467	1.2
101.00861	5.5
110.07152	32.9
112.08740	1.4
113.96393	1.3
115.02378	0.9
116.07071	1.3
117.04020	0.9
118.03498	4.1
119.01905	31.3
120.08109	2.3
123.05552	7.7
126.05521	1.3
129.10219	4.3
130.03462	1.1
130.08636	1.6
131.01898	2.7
136.07544	5.4
137.02934	10.9
141.10233	2.3
143.01883	1.3
144.05042	1.2
145.03468	1.1
145.04935	0.8
147.04294	0.9
147.11275	1.7
149.03009	1.5
152.07071	0.8
155.05472	1.2
156.07668	22.9
156.84398	0.8
161.02948	2.2
162.09712	1.0
164.11864	1.3
166.06100	2.0
168.08678	1.0
172.04619	2.1
173.02963	1.1
186.09740	29.8
186.67474	0.7
189.02519	1.1
190.05850	0.9
196.08160	1.5
196.11636	1.6
197.06662	2.2
204.10803	13.1
208.95909	1.1
214.09216	37.6
219.63898	2.3
232.10284	100.0
233.01422	1.0
233.08437	1.0
233.10558	1.7
235.61790	0.9
237.13463	3.2
243.05336	2.2
244.16557	1.9
245.04912	0.9
251.02475	3.5
255.11884	3.0
255.14487	9.0
255.16731	1.1
256.03110	3.4
274.04312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97882	0.4
54.79097	0.6
55.05489	2.6
56.05027	1.9
56.96543	0.7
60.04506	3.2
60.05639	3.4
67.05492	1.7
68.05015	0.6
69.07054	2.3
69.48006	0.6
70.02938	0.8
70.06582	100.0
71.04980	1.8
71.06925	1.0
71.11673	1.3
72.08147	9.3
74.06063	1.0
79.05489	0.8
80.04974	0.6
81.04532	0.6
81.07054	1.0
82.06573	2.0
83.06105	2.4
84.04486	4.6
84.08131	11.6
85.02887	0.7
85.06521	0.7
86.09686	8.4
88.03989	1.6
89.06031	2.4
91.05473	1.6
93.07056	1.0
94.06548	1.1
95.06074	0.9
95.08573	1.0
96.08131	1.8
97.06539	0.8
97.07652	1.8
98.06033	11.7
98.98454	0.8
101.80494	0.5
107.04959	1.4
107.08630	0.9
108.08096	1.0
110.06036	0.7
110.07153	10.9
110.09716	0.6
111.07502	0.9
112.08714	24.7
113.07099	4.1
114.05545	0.7
114.10268	1.1
115.08659	5.3
116.07109	0.6
120.08102	2.4
122.02760	0.7
122.09653	0.9
124.11214	15.0
127.08736	1.1
129.10242	6.6
129.11240	1.2
130.04993	0.8
130.06581	0.7
130.08624	1.7
133.08600	1.8
136.07565	3.5
140.08147	4.9
142.05106	0.6
147.11301	1.7
149.10890	0.5
150.05490	0.6
151.12331	1.1
152.07024	0.8
152.10683	3.6
155.08151	1.1
156.07686	2.5
156.12479	1.4
157.10831	27.3
168.14986	1.6
169.13353	17.1
178.13396	0.8
185.09251	0.7
194.12880	1.1
195.16060	0.7
197.12762	2.8
211.15530	11.1
220.16931	6.9
220.18712	0.6
221.02878	0.8
223.10841	1.3
228.18166	60.8
229.31731	0.6
238.10799	1.0
238.17979	9.2
238.20065	0.7
239.14899	4.4
250.98640	0.7
251.14877	0.6
256.19119	31.9
256.26294	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	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	4.0
60.04513	1.2
60.08165	0.9
61.01139	1.2
65.03944	0.7
67.05479	0.8
69.07062	5.3
70.02933	1.9
70.06580	6.4
71.68265	1.1
72.08142	5.3
74.02432	23.0
74.06063	1.3
82.06554	0.8
84.04493	17.5
84.08129	29.0
85.02923	0.9
85.04851	0.8
85.08475	1.7
86.09692	45.7
87.10022	2.5
88.03979	45.2
91.05468	100.0
91.59818	0.5
92.05784	0.7
94.06554	1.5
95.07361	0.9
98.98448	12.7
102.05531	4.2
103.05439	0.8
106.04960	0.6
110.06041	0.8
110.07151	6.7
111.09187	0.7
116.03438	13.0
119.04896	0.7
120.08088	6.2
121.08408	0.9
122.05981	3.1
123.06789	12.3
124.07600	1.0
129.10225	13.7
130.04974	8.5
130.08611	2.6
130.10626	0.8
134.04469	71.5
136.07567	4.8
140.07036	1.8
144.10179	1.3
145.02876	0.9
146.05986	1.1
147.11278	2.0
148.06053	1.9
150.09097	1.4
152.14272	1.1
157.72752	0.6
164.07040	0.7
177.05508	0.6
178.13515	0.7
181.16731	0.7
197.12785	1.1
199.84521	0.6
205.98732	1.2
206.08130	3.7
206.15344	5.1
231.12408	3.2
234.07597	7.0
234.14873	25.8
242.18604	1.2
243.13376	0.7
251.14851	0.8
252.08867	2.9
252.15915	42.4
260.19754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89003	3.1
70.26196	15.3
72.34536	3.7
78.11964	4.0
79.06172	3.6
94.93002	31.5
95.55170	3.8
98.21548	3.2
110.07133	26.8
120.94521	90.5
136.07542	11.9
136.93996	6.8
138.05429	8.5
148.94005	52.2
160.94017	6.0
192.92935	69.0
204.92978	5.6
232.44171	3.5
234.94104	6.2
235.11848	6.9
247.21693	4.0
252.95064	100.0
253.01700	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	251.0693
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
53.03942	0.9
54.03461	0.7
55.01863	1.2
55.05499	4.2
55.33264	0.6
56.05026	25.0
57.03426	2.3
57.05837	0.5
58.06597	0.9
58.99572	4.3
58.99856	1.1
59.04986	0.7
60.04517	6.2
60.05639	4.3
61.01140	8.7
61.02918	3.7
65.92154	0.5
67.05486	2.1
68.05017	1.7
68.52900	0.5
69.03419	4.3
69.07063	1.7
70.02940	1.6
70.06583	85.7
71.01339	0.6
71.04988	3.1
71.06099	4.9
71.06918	4.7
71.75378	0.6
72.04528	0.6
72.08144	28.6
73.02902	2.1
73.08481	0.9
74.02442	0.7
74.06071	20.6
75.05601	1.1
76.02219	11.6
76.03999	3.4
77.00893	0.8
77.84982	0.5
79.08968	0.5
79.38248	0.5
80.05000	1.8
81.03412	1.9
81.04552	0.5
82.01423	2.6
82.05324	0.7
82.06569	1.4
83.06083	2.6
84.04493	100.0
84.08131	59.4
84.08655	1.4
85.02894	9.5
85.04012	0.7
85.04840	1.0
85.06516	1.2
85.08459	3.1
86.02524	0.5
86.03217	0.5
86.06062	0.8
86.09692	13.4
86.99027	3.6
87.04475	0.7
87.05569	2.7
87.10055	0.8
88.03988	4.4
88.08777	0.9
89.07128	0.8
90.05540	3.1
91.05479	1.7
93.04549	0.6
94.06573	0.6
95.06066	3.2
96.04442	0.8
96.08129	0.7
97.02892	6.3
97.07660	1.5
98.03923	0.8
98.06056	1.4
98.98451	16.8
99.04432	1.5
99.09193	0.8
100.02473	14.4
100.05052	0.9
101.07127	2.0
101.10754	0.6
102.05527	6.9
103.02423	0.6
103.05379	0.6
104.05313	24.3
105.00077	6.3
106.05062	0.8
108.04343	0.6
109.02885	1.3
110.03940	0.9
110.07151	19.1
110.09659	0.6
111.02892	0.8
111.07458	0.6
111.09190	0.7
112.07604	1.4
112.08715	6.7
113.07105	1.3
114.03751	0.7
114.06644	0.7
114.10280	1.0
115.02403	1.3
115.05084	0.6
115.08671	6.8
116.03951	0.7
116.07093	3.6
118.03506	9.0
118.06802	0.6
119.01891	3.5
120.02013	1.0
120.06580	1.3
120.08078	1.4
121.01667	0.9
122.02710	51.2
124.03963	0.9
125.04422	1.1
125.07059	1.3
126.98790	1.0
127.03902	2.5
127.08667	4.8
129.03955	1.1
129.06589	1.3
129.10223	22.5
130.04984	29.7
130.08635	3.4
130.09645	1.0
130.10587	0.7
131.01849	1.2
131.08151	0.8
132.03441	0.8
133.03421	5.0
136.07564	2.5
137.02893	0.7
137.07065	0.6
138.05502	1.3
138.06631	1.8
139.08636	1.1
140.04945	1.2
140.08174	1.3
141.10213	1.6
142.03207	9.2
142.09723	0.7
143.01912	1.6
143.11806	1.1
144.99808	8.7
145.03497	1.6
145.04962	1.2
147.05067	3.8
147.07608	0.6
147.11227	3.2
150.00305	0.8
150.05777	4.9
151.04533	0.7
152.04860	1.0
152.08174	0.7
153.55859	2.1
154.05698	1.0
155.01930	0.8
155.08168	1.8
155.11807	1.1
156.07671	2.4
157.09688	1.3
157.10852	1.4
158.09268	1.4
159.05000	2.3
159.07677	1.5
159.11227	1.3
161.02945	1.9
161.05493	15.3
161.55602	2.2
163.00847	2.1
163.04555	0.8
166.06136	1.3
167.08134	0.9
168.01366	4.9
169.09659	1.0
169.11006	0.7
169.13426	0.9
170.06036	14.8
170.56113	4.6
171.04976	0.8
172.10820	1.7
172.99300	9.9
173.02927	1.4
174.99239	1.0
175.04610	0.8
175.11920	6.0
176.93486	1.1
177.02415	1.7
177.06113	2.3
177.10294	0.6
177.99831	1.1
178.13419	2.2
181.09692	0.9
181.56815	1.1
182.12856	0.7
183.05034	0.9
183.11244	1.0
183.14934	0.6
185.03003	0.9
187.00749	1.1
187.10777	2.0
188.03745	9.9
190.05363	2.0
191.00351	9.8
191.62561	1.3
195.07196	2.1
195.11195	0.9
196.00905	30.7
197.10342	1.6
200.13977	3.4
203.10265	0.7
205.01909	2.7
205.06450	1.2
205.09926	1.2
207.62698	1.6
209.09183	0.7
209.12773	0.9
210.02551	0.9
211.11943	1.0
214.01933	15.2
215.15044	0.7
217.05556	0.6
219.02480	1.6
219.07132	8.5
221.64146	0.7
222.12190	2.2
223.03001	1.0
223.15553	2.8
226.11697	0.8
226.15417	1.4
227.11339	1.3
227.13358	0.8
228.03499	17.4
231.07146	1.3
233.05890	1.1
233.09486	1.3
234.04286	9.4
235.64638	0.6
239.14876	1.0
242.66811	0.7
244.16496	0.9
246.04552	3.4
250.66853	3.1
251.02373	1.6
251.06938	18.2
251.10808	6.2
251.16747	18.8
251.66760	3.0
256.17813	0.6
260.17148	0.9
274.18808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0693
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
56.05029	6.4
57.03439	0.7
58.99574	5.3
60.04518	1.0
61.01141	1.6
65.67268	0.5
69.03430	1.0
70.06575	3.7
71.06201	1.3
71.06569	1.2
72.08140	6.2
73.02921	0.6
74.06078	5.8
76.02216	14.0
82.82917	0.7
84.04494	100.0
84.08138	1.5
85.02910	3.0
86.09697	0.9
86.99034	4.5
88.03979	1.5
90.19568	0.6
91.05476	1.3
97.02885	1.2
98.98461	7.2
100.02481	2.9
101.06903	0.5
101.75768	0.6
102.05498	3.4
104.05318	3.9
105.00083	7.7
110.07159	1.5
118.03496	1.3
122.02711	62.8
130.04982	34.0
133.03192	1.5
138.05363	0.6
142.03192	11.5
144.99823	1.8
148.06071	0.7
150.05833	2.5
152.05382	0.9
161.05521	0.7
168.01497	1.2
170.02722	0.8
172.99333	1.6
175.11899	1.0
188.03752	13.3
191.00447	0.9
196.00919	4.9
205.06404	1.4
214.01987	2.6
219.07083	2.0
228.03589	2.1
233.05939	1.1
234.04288	11.7
246.04628	1.1
251.06958	24.0
251.10294	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	245.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.2
57.05794	0.4
67.29387	0.1
69.07059	9.8
69.44149	1.8
70.06580	0.7
72.08149	0.4
84.08134	0.9
86.09694	100.0
87.03229	0.2
87.10047	0.5
120.08086	0.3
129.10225	0.4
132.10197	1.9
143.11618	0.2
199.17899	0.8
227.17516	0.2
245.18605	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	245.1858
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.91695	0.2
57.26173	0.2
58.22718	0.2
69.07064	0.4
71.66842	0.5
86.09696	100.0
86.43994	0.2
87.10019	0.5
132.10188	3.8
148.46002	0.2
199.18082	1.7
245.18616	6.6
246.17732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.8
69.07053	0.6
69.10307	0.6
70.06555	1.9
70.41912	2.4
72.08141	26.9
73.08459	0.7
82.63224	0.6
84.04503	3.4
84.08115	1.6
85.02891	0.8
86.09690	10.6
87.09988	0.7
94.46493	0.7
95.63937	0.6
101.00868	1.8
102.05507	1.0
119.01912	3.7
121.01620	1.6
130.04959	2.0
136.72144	0.7
137.02943	0.9
141.10234	0.7
148.05998	5.2
151.42082	0.6
151.71251	0.6
187.00850	1.8
187.02519	1.4
212.09070	0.7
215.00334	0.8
221.02962	2.0
229.03157	21.3
247.04213	100.0
247.07875	4.1
247.12772	4.9
247.18364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76468	0.3
55.05507	0.6
56.05027	7.9
57.03440	0.5
60.04514	1.6
67.68237	0.4
69.07059	1.1
69.11799	0.4
69.74237	2.6
70.06586	4.1
72.08150	3.9
73.45808	0.4
74.06073	14.3
77.40233	0.4
84.04498	2.4
84.08134	4.3
85.02897	0.5
86.09695	100.0
88.07610	0.8
91.05425	0.4
98.21398	0.8
102.05537	2.7
103.05453	0.6
110.07144	1.0
116.07077	18.0
120.08089	7.6
123.06963	0.4
129.10214	1.8
130.08652	0.5
134.08112	58.6
136.06212	0.8
136.07550	1.7
144.06534	8.1
147.11198	0.5
148.06128	0.6
149.06898	0.6
175.11949	0.5
187.11081	0.4
187.14363	0.6
192.08823	0.4
195.44525	0.4
199.50009	0.4
219.14925	1.0
229.15451	11.9
247.09523	0.5
247.16440	6.7
247.18680	0.9
248.07773	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	249.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33176	5.4
61.41656	4.5
66.52952	4.8
69.41750	54.1
85.02876	6.6
94.92987	13.4
104.18463	5.8
114.21928	4.8
119.01794	5.2
126.90851	4.6
131.88930	4.4
148.67722	4.8
206.88643	7.3
211.25659	5.4
215.05138	8.6
216.05312	6.1
226.51158	4.7
249.03719	100.0
266.24130	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	249.1266
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
53.03941	0.4
53.34789	0.2
55.01872	0.3
55.05506	10.5
56.05030	4.4
57.03429	0.9
57.05808	0.8
60.04518	0.5
61.01141	1.6
61.02919	0.6
69.03417	1.9
70.06586	1.4
70.52702	0.6
72.08147	100.0
73.02905	0.6
73.08482	0.6
74.02425	0.6
74.06070	1.9
81.03423	0.5
84.04494	1.5
84.08157	1.3
85.02893	3.5
85.08462	0.2
86.03262	0.3
86.09712	1.0
87.02739	0.3
87.05585	0.5
90.05542	0.2
91.05445	0.3
97.02883	2.1
98.60234	0.2
99.04437	0.3
101.00887	1.0
102.05547	1.1
103.02446	0.9
104.05317	7.2
109.02848	0.3
110.07162	0.7
110.09698	0.3
112.07584	0.4
113.02221	0.2
115.02467	0.2
118.03499	0.3
118.26225	0.2
119.01905	3.3
120.06551	0.2
120.08096	0.4
121.01663	0.4
121.03467	0.6
127.03898	1.3
129.10222	0.3
130.04977	0.8
130.08623	0.8
131.01895	1.0
132.95859	0.4
133.03247	4.7
133.06058	1.9
134.03645	0.3
134.06006	0.5
136.07535	0.6
137.02939	0.5
138.09070	0.2
142.03464	0.4
143.01877	0.9
144.95618	0.2
145.03465	0.7
145.04872	0.7
148.06030	0.7
149.03026	0.3
150.05827	18.9
151.04500	1.5
155.11794	1.1
156.07683	0.3
157.03447	0.6
159.04941	0.4
160.06499	0.3
161.02921	1.8
163.02544	0.3
167.01938	0.2
168.05051	0.5
171.04991	0.3
172.04581	0.4
173.02873	0.6
173.04143	0.5
175.04503	0.4
177.02452	0.6
177.06099	0.5
184.04518	0.2
185.02953	1.7
187.02847	0.3
187.04506	1.9
188.04488	0.2
189.02448	1.0
191.05084	0.5
192.05508	0.3
201.12329	0.9
203.03987	0.8
203.12100	1.0
207.03455	0.5
214.07437	0.7
215.05161	2.3
215.07220	0.3
216.05220	0.4
223.02699	0.4
226.01949	0.3
226.05608	0.5
227.04947	0.4
231.03477	2.2
232.03656	0.6
234.96890	0.3
235.02841	0.3
245.04904	1.4
246.05280	0.2
247.04878	0.4
249.04335	1.3
249.08165	0.7
249.12654	7.7
249.15459	0.4
249.16370	0.4
250.09203	0.5
263.06161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45140	0.4
54.76155	0.3
58.34064	0.4
70.01456	0.8
70.01868	1.5
75.36815	0.4
80.71911	0.4
85.08517	0.4
97.95830	0.4
101.00869	4.8
102.00954	1.0
119.01903	33.3
120.01986	5.1
121.01637	0.7
131.01878	0.8
137.02936	9.2
138.03052	1.5
142.03476	4.5
143.01869	1.3
157.03459	0.7
159.99927	0.8
160.04523	2.0
161.02940	10.9
175.04486	0.5
177.00926	3.3
178.01016	20.4
179.00642	3.5
179.03995	14.5
179.05560	1.0
184.04509	1.0
185.02928	0.9
196.02046	0.6
202.01039	1.0
202.05594	2.6
203.03981	2.4
218.04259	2.7
219.01958	2.6
220.02107	23.6
221.01718	9.9
221.05067	1.9
226.01118	1.8
241.25040	0.4
243.03825	0.5
243.95940	0.6
244.01997	6.3
245.01817	1.5
245.05049	2.6
262.03162	100.0
263.02829	16.9
264.03665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.0
55.05494	2.4
56.05024	2.5
56.09101	0.9
58.06544	1.0
58.99845	2.4
59.74398	0.8
60.04511	2.1
68.98261	1.0
69.03409	3.0
69.07020	0.9
70.02900	1.2
70.06583	31.2
70.99825	1.3
71.06917	1.8
71.09882	2.5
72.08150	11.4
72.38236	0.9
73.94226	0.8
74.06057	2.2
77.00892	2.5
81.03413	1.9
82.99799	2.0
84.04494	7.9
84.08130	23.6
85.02893	3.1
85.08463	3.1
86.06005	1.2
86.09691	9.4
86.99310	2.3
89.00858	1.3
92.45846	0.9
95.01911	1.4
96.04480	1.4
97.02884	4.4
100.02460	1.2
100.11219	2.6
101.00864	26.5
104.10751	9.7
105.00345	3.0
105.11080	1.3
109.02827	1.9
112.05078	1.4
112.07568	2.0
112.08705	2.0
113.00862	4.5
113.01550	0.8
113.03468	4.2
115.02412	3.1
115.08655	1.2
116.07075	4.9
118.03548	1.6
119.01908	100.0
120.01981	2.3
121.74127	0.9
124.02467	1.0
124.03925	1.4
127.02377	4.1
127.03934	1.3
127.08718	1.0
129.03947	2.6
129.10246	6.2
129.76073	0.9
130.04927	1.7
130.08612	3.5
131.01892	20.5
132.06506	1.1
133.03479	4.9
137.02931	19.0
139.02383	2.2
142.03410	2.9
143.00812	1.7
143.01881	21.5
145.03445	27.5
145.04639	1.5
147.01390	4.7
147.05000	3.4
147.11237	2.5
149.02921	2.3
151.04486	1.1
153.03918	1.4
154.03471	0.9
155.01865	24.2
157.03444	20.7
159.04996	1.4
161.02934	51.3
163.04558	6.0
167.01886	11.1
168.04974	2.0
169.03442	3.5
171.04955	6.3
173.02942	32.5
174.03096	1.8
175.04520	11.2
179.01820	5.0
179.03995	2.7
184.04494	3.8
184.06116	1.2
185.02942	76.9
187.04515	9.1
189.06018	1.3
191.03992	3.3
197.02940	27.9
199.04501	2.5
203.02312	0.8
203.03983	23.1
205.05537	1.9
208.04488	2.5
209.02916	1.3
215.03940	12.3
217.05495	1.0
220.04453	1.8
221.05058	9.9
227.04016	6.2
227.10220	1.3
233.05067	1.7
244.15311	2.7
245.05031	68.4
245.11455	4.2
245.15904	4.2
256.06229	1.0
263.06219	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	245.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.9
56.05024	5.7
60.04512	2.6
69.03424	3.1
70.02936	3.7
70.06584	54.5
71.06898	4.4
71.70541	3.9
72.08144	9.4
72.41057	2.7
74.06083	3.4
77.00904	3.0
82.06581	2.5
82.99888	2.7
84.04491	22.2
84.08135	47.1
85.02894	4.5
85.08465	5.8
86.06040	8.3
86.09693	10.9
88.03979	3.7
88.56947	2.6
97.02869	3.5
101.00879	26.0
104.10732	3.1
109.02888	3.7
112.05068	4.4
112.07582	8.9
112.56606	2.6
113.00848	4.5
113.02316	3.6
113.03478	14.9
113.05437	5.7
115.02435	3.2
116.07086	17.5
119.01909	100.0
121.03400	2.8
129.03976	3.7
129.10245	13.0
130.04982	2.6
130.08618	3.4
131.01906	18.1
131.27763	2.5
133.03491	7.3
137.02927	22.7
142.03207	13.2
143.01915	17.0
145.03453	30.8
147.01357	6.0
147.05057	4.7
147.11247	7.0
147.46078	2.4
149.02969	4.0
155.01860	24.6
157.03494	20.2
161.02942	42.5
163.04503	7.6
167.01859	7.6
168.05045	5.8
169.03513	4.0
170.02661	3.5
171.04930	4.8
173.02940	34.1
175.04533	12.2
175.11983	3.8
179.01866	7.6
185.02933	91.3
185.04591	5.0
185.06216	3.2
187.04515	11.0
196.04602	3.3
197.02974	29.1
203.03984	24.0
208.04617	4.9
215.03952	9.0
221.02928	9.8
221.05049	12.1
222.03036	4.3
226.32179	2.7
227.03954	5.1
227.10240	7.2
228.43831	2.6
244.16438	7.0
245.00706	6.3
245.04968	57.9
245.11250	5.4
245.17041	4.5
263.06165	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	243.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20593	0.1
55.27737	0.1
71.44483	0.1
71.44807	0.1
82.99883	0.2
101.00867	1.8
118.60966	0.1
119.01905	11.1
120.02005	0.2
122.97776	0.1
134.99893	0.8
137.02937	3.4
140.98836	0.2
142.03503	0.4
153.00906	0.6
156.97417	0.1
158.99847	1.1
159.01097	0.1
160.04585	0.1
165.99707	0.2
175.03033	0.3
175.98224	0.1
177.00929	22.0
178.01019	0.9
178.49529	0.1
179.01486	0.1
179.04025	0.1
179.99190	0.1
182.99808	0.4
183.02686	0.1
184.98799	0.1
191.00139	0.1
193.04115	0.4
193.05659	0.1
195.02017	0.4
196.94479	0.2
197.00511	0.1
197.02940	0.1
200.02522	0.4
201.00877	1.1
201.02513	0.2
202.01089	0.2
203.99701	0.1
213.00002	0.1
214.95538	1.4
217.04065	2.8
218.04179	0.1
219.01976	25.4
220.02101	2.4
220.03874	0.0
221.02206	0.2
223.00365	0.1
225.00818	2.4
227.99632	0.2
228.98772	0.3
229.48979	0.1
232.00806	0.2
232.96574	1.0
234.00655	0.1
237.03021	0.1
237.97157	0.9
238.03215	0.1
240.49435	0.2
242.03596	0.6
243.01930	6.8
244.02188	0.1
255.98296	0.4
256.96536	0.2
260.04617	0.2
261.03024	100.0
262.03180	2.4
263.03510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	6.8
55.46340	1.2
56.05024	2.0
56.94302	2.5
57.03429	13.3
58.06593	6.1
59.04973	2.6
59.06930	1.4
61.02915	6.8
69.03413	4.3
70.06589	6.3
71.01348	5.9
71.04980	2.9
71.75198	2.7
72.08141	8.5
72.93761	4.0
73.02918	7.8
74.06055	1.1
81.03384	1.3
83.01330	2.0
83.06071	2.1
84.04469	3.7
84.08126	7.7
85.02897	15.2
85.08441	2.0
86.09674	4.3
87.04457	10.5
89.02374	6.9
90.94777	1.9
91.05485	1.6
97.02882	5.7
99.04470	1.5
100.02467	2.4
101.02369	16.7
103.03919	3.3
104.10098	1.7
104.10724	12.4
105.11054	8.0
110.07162	5.3
111.00821	1.6
113.96388	5.6
115.02400	1.5
115.03908	32.9
116.07056	1.8
118.03468	2.8
118.08621	3.8
119.01904	9.1
120.01978	1.3
121.01635	3.4
121.03440	1.3
127.03932	6.7
129.01819	31.4
129.10205	5.0
131.01860	3.0
131.03415	1.7
131.97437	7.3
133.03448	3.2
133.04939	3.7
137.02922	2.7
141.01831	1.6
143.01897	1.9
143.03383	16.3
144.99850	2.5
145.03470	1.4
145.04950	3.6
145.16551	1.2
147.01283	1.1
147.02921	2.6
156.07657	3.1
157.01321	27.3
159.02904	1.3
161.02997	4.1
161.04405	26.2
161.05646	2.3
163.05997	1.3
164.10780	2.0
168.01413	1.1
171.02841	3.6
172.99274	4.3
173.02917	2.7
175.02368	4.7
182.11752	2.9
185.03029	1.3
187.00835	2.0
189.03918	100.0
191.00349	2.0
191.02116	1.1
191.04010	1.8
196.00880	6.4
196.09509	1.5
200.07748	1.3
201.02440	1.5
207.05022	9.1
209.94862	2.3
214.01930	3.9
219.03458	4.8
224.07594	4.0
224.12669	1.6
225.05974	1.2
225.09819	1.2
227.95831	4.5
228.03426	3.0
242.09946	4.8
242.13753	14.8
242.15762	53.7
245.04977	2.9
246.04803	1.5
262.24823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03930	0.2
53.15517	0.1
54.80131	0.2
55.05496	0.4
56.05012	0.7
57.03428	0.3
58.06588	16.6
60.04502	0.4
60.05611	0.2
67.05491	0.3
69.03429	0.4
69.07053	0.3
70.06583	5.9
70.91637	0.3
70.92011	0.3
71.04969	0.4
71.06921	0.2
72.08145	1.5
73.02914	0.3
74.06059	0.5
79.05466	0.2
81.03404	0.4
82.06542	0.2
83.06069	0.2
84.04495	1.9
84.08128	10.3
85.02880	0.7
85.06532	0.4
85.08488	0.2
86.09691	1.4
88.03980	0.2
91.05476	0.3
95.06055	0.3
97.02847	0.5
98.06029	0.4
98.09683	1.0
98.97569	0.2
99.04432	0.2
100.11216	0.4
101.00847	0.4
102.05533	0.4
103.05422	0.4
110.06013	0.2
110.07147	2.6
112.08710	0.4
113.96377	0.3
114.05497	0.5
115.08722	0.3
116.07058	0.5
119.01894	2.3
119.04924	0.2
120.08080	2.1
121.01598	0.2
121.08413	0.2
124.03921	0.2
124.07520	0.2
126.05440	0.3
126.09071	0.2
127.03958	0.2
128.10690	3.2
129.10226	1.5
130.04971	0.2
131.01915	0.9
134.05975	0.4
134.99634	0.2
136.07553	0.6
137.02940	0.8
144.10175	1.2
145.03430	0.3
147.04843	0.2
149.02922	0.3
150.96912	0.2
152.07022	0.7
152.10655	0.2
154.04828	0.2
156.01042	0.6
156.07639	0.6
156.97493	0.5
157.97554	0.2
157.98949	0.5
158.07988	0.2
161.02966	0.4
161.06592	0.4
164.07040	2.5
165.06058	0.4
166.06001	0.2
168.10138	0.9
172.02806	0.2
173.02928	0.3
174.02190	0.3
174.98537	0.5
175.11728	0.3
175.98645	0.3
176.00037	0.5
176.98215	0.2
188.07664	0.3
191.03947	0.4
196.09644	4.5
198.98529	0.2
200.00041	0.7
200.02005	0.2
201.02409	1.9
213.15883	0.5
216.99510	0.4
218.01172	1.0
218.05081	0.2
219.03473	3.5
223.10689	0.4
238.82642	0.2
241.15422	100.0
242.05122	0.3
242.15842	1.3
245.05109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03923	2.8
55.01855	7.9
55.05500	23.5
56.05029	5.8
56.96547	4.4
57.03418	8.1
57.07074	3.8
58.06588	3.2
59.04983	3.6
60.04512	4.7
62.56574	2.2
65.03942	2.9
67.05499	17.3
68.83372	2.2
69.03429	12.4
69.07062	16.4
70.06581	42.5
70.51429	2.2
71.04974	9.4
71.71820	4.0
72.08139	22.7
79.05491	20.8
81.03399	8.4
81.07040	23.8
82.06565	5.0
83.04974	27.9
83.08607	6.8
84.04492	9.5
84.08128	35.1
85.02901	5.6
86.09694	41.2
87.04429	2.9
87.10015	3.5
91.05470	34.6
93.03710	3.7
93.07030	42.4
94.06556	3.1
95.04964	15.5
95.08588	24.6
96.08122	3.6
97.02885	9.6
97.06509	10.0
97.10087	2.3
98.97576	14.7
99.04446	5.9
101.05993	2.7
103.05446	4.3
105.07018	37.2
107.04936	11.3
107.08578	39.3
108.05730	3.1
109.06497	21.7
109.10122	13.0
110.06040	2.3
110.07156	20.8
111.04430	4.7
111.07444	3.1
111.08080	22.8
112.07581	3.0
112.08706	3.8
114.09052	2.7
115.05441	3.0
115.08663	3.0
116.07055	2.9
116.98612	8.4
117.07001	12.2
119.04918	3.6
119.08579	34.8
120.08092	23.6
121.06483	32.1
121.08376	2.5
121.10130	18.9
122.09690	2.6
122.18811	2.1
123.04417	2.6
123.08067	28.8
124.07558	3.2
125.05933	5.7
125.09621	15.0
129.07034	4.5
129.10226	24.1
130.07774	2.6
130.08647	3.9
131.08559	12.6
133.06470	3.6
133.10104	22.6
134.99623	4.9
135.08037	100.0
135.11646	15.4
136.07573	5.8
137.05948	6.0
137.09601	20.8
139.07533	11.7
139.11122	2.3
142.07741	3.5
144.09293	7.2
145.06453	4.5
145.10123	15.9
147.08028	9.1
147.11600	5.1
149.05989	11.3
149.09587	8.2
149.13205	6.6
150.12750	9.8
151.07495	7.0
151.11134	6.9
153.09094	13.4
156.07683	19.3
157.10146	5.2
158.99655	4.4
159.11684	26.9
161.09618	15.7
163.07497	18.5
163.11157	19.1
165.09103	16.7
167.07040	7.0
169.08467	2.2
172.08882	3.6
175.11154	38.1
177.00702	4.9
177.12738	25.9
179.10643	20.2
181.08556	13.4
181.12224	7.5
183.10245	2.4
187.11182	8.5
191.06444	3.2
193.12221	23.3
195.06003	5.6
195.08076	2.6
195.13725	3.9
199.07401	3.7
205.12198	29.7
210.14871	27.6
211.15654	3.8
213.08923	2.6
213.15965	4.6
218.15416	2.3
221.07448	4.3
223.13261	20.9
232.16118	2.6
236.16437	5.8
240.66014	2.6
241.08421	4.4
241.14351	12.6
241.16663	33.7
241.19446	3.4
241.66853	6.8
244.65768	2.6
254.17465	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	235.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88581	0.6
55.05511	3.6
55.93528	1.2
56.05024	59.6
57.03432	0.6
57.05344	0.5
57.07064	15.4
58.06592	1.4
60.04520	5.2
60.05634	0.8
61.01137	33.3
66.51385	0.6
67.05494	2.0
69.03430	1.3
69.07053	2.1
70.02936	1.5
70.06582	24.1
71.04968	1.3
71.06918	1.1
71.57615	0.8
71.58001	0.8
72.08139	18.6
72.93769	1.8
73.08485	0.8
74.06062	16.0
74.79818	0.5
79.05496	1.1
81.03413	0.9
81.07051	2.1
82.06596	0.9
83.04948	0.9
83.06096	1.1
84.04483	5.0
84.08121	15.0
85.02891	0.9
85.06533	0.9
85.08458	1.4
86.06061	0.8
86.09690	35.1
87.02666	1.1
87.05566	2.4
87.10027	1.3
88.03954	3.1
90.94804	1.1
91.05451	5.5
93.07047	2.3
93.94278	0.6
95.04933	1.5
95.06085	1.2
95.08601	2.1
97.02878	2.4
97.06528	0.8
99.05508	2.8
102.05505	2.3
103.05441	1.4
104.05307	100.0
104.07080	11.0
105.07001	3.2
107.04916	0.9
107.08566	1.4
109.06474	0.8
109.10088	1.1
110.07155	12.3
111.04422	1.2
112.04761	0.9
112.08680	1.2
115.05434	1.4
115.08661	0.7
116.07060	2.7
117.06986	0.7
119.04904	1.4
119.08540	1.8
120.06551	1.7
120.08081	23.2
121.06566	1.3
121.08391	1.1
123.04382	1.3
125.02305	1.4
127.08631	3.8
129.06938	1.0
129.10216	6.5
130.04964	1.5
130.06494	4.4
130.08603	2.1
131.08495	1.1
131.97404	0.8
133.02823	0.8
133.06384	1.2
133.10086	1.3
135.04405	0.8
136.07541	11.0
136.08559	1.0
137.02316	14.0
137.03351	0.5
137.09595	0.7
143.03291	0.6
143.04865	2.4
144.06525	1.1
144.08026	3.5
145.06438	0.9
147.04584	6.3
147.07962	0.7
147.11476	0.9
155.06970	0.9
156.07503	2.9
159.07921	0.7
161.05946	5.5
162.09055	2.5
163.03842	0.8
163.07428	0.7
164.07365	13.7
166.06088	0.9
169.09694	0.6
169.92856	0.6
170.09288	0.7
171.11388	0.9
172.07590	1.0
173.07957	1.0
174.08310	1.9
175.03847	2.1
175.07430	1.0
175.08800	4.8
175.11848	0.8
175.14792	0.7
176.07021	0.6
179.10631	10.1
181.02776	1.3
187.10760	8.9
188.92361	2.0
189.05458	7.5
189.12645	0.8
190.08517	1.1
191.03394	0.6
191.07001	0.9
192.07631	3.5
193.92908	1.6
195.11237	0.7
196.98915	0.9
207.11232	8.2
209.10225	1.1
211.94044	3.5
214.63847	0.7
216.95703	0.6
217.04936	1.3
217.07431	1.3
217.09521	0.9
217.12192	0.7
217.19493	1.5
218.05472	2.5
218.08232	1.8
218.10953	6.8
228.65703	0.6
234.96886	7.7
234.98961	0.9
235.02324	0.7
235.05966	13.3
235.08368	1.3
235.11160	10.8
235.16809	40.7
235.20543	3.0
235.97655	1.1
236.05521	0.6
237.13472	1.3
248.94685	2.0
251.14975	1.5
252.97894	23.3
253.98190	1.0
257.98206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1801
Annotation	Lidocaine
Peak:m/z	Relative Intensity
53.07278	0.1
58.06589	3.8
63.93777	0.1
69.65008	1.3
69.65343	0.2
78.11021	0.1
86.09692	100.0
87.10017	0.8
235.18013	20.5
236.18323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83566	1.3
53.44224	1.4
56.05020	2.9
57.62414	1.4
59.97905	1.4
68.29284	1.7
70.71400	4.7
70.86469	1.5
74.06066	8.1
84.04479	5.6
84.08120	9.0
92.93194	1.6
113.40260	1.8
113.85182	1.6
119.01836	3.0
129.10179	3.5
130.08633	2.6
138.96364	4.3
147.11334	2.2
156.97447	77.8
174.98499	79.9
179.99086	4.7
180.97510	1.8
198.00111	4.1
198.98485	41.2
216.01042	2.9
216.99545	100.0
222.00064	2.7
228.99489	2.1
240.01140	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	235.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88581	0.6
55.05511	3.6
55.93528	1.2
56.05024	59.6
57.03432	0.6
57.05344	0.5
57.07064	15.4
58.06592	1.4
60.04520	5.2
60.05634	0.8
61.01137	33.3
66.51385	0.6
67.05494	2.0
69.03430	1.3
69.07053	2.1
70.02936	1.5
70.06582	24.1
71.04968	1.3
71.06918	1.1
71.57615	0.8
71.58001	0.8
72.08139	18.6
72.93769	1.8
73.08485	0.8
74.06062	16.0
74.79818	0.5
79.05496	1.1
81.03413	0.9
81.07051	2.1
82.06596	0.9
83.04948	0.9
83.06096	1.1
84.04483	5.0
84.08121	15.0
85.02891	0.9
85.06533	0.9
85.08458	1.4
86.06061	0.8
86.09690	35.1
87.02666	1.1
87.05566	2.4
87.10027	1.3
88.03954	3.1
90.94804	1.1
91.05451	5.5
93.07047	2.3
93.94278	0.6
95.04933	1.5
95.06085	1.2
95.08601	2.1
97.02878	2.4
97.06528	0.8
99.05508	2.8
102.05505	2.3
103.05441	1.4
104.05307	100.0
104.07080	11.0
105.07001	3.2
107.04916	0.9
107.08566	1.4
109.06474	0.8
109.10088	1.1
110.07155	12.3
111.04422	1.2
112.04761	0.9
112.08680	1.2
115.05434	1.4
115.08661	0.7
116.07060	2.7
117.06986	0.7
119.04904	1.4
119.08540	1.8
120.06551	1.7
120.08081	23.2
121.06566	1.3
121.08391	1.1
123.04382	1.3
125.02305	1.4
127.08631	3.8
129.06938	1.0
129.10216	6.5
130.04964	1.5
130.06494	4.4
130.08603	2.1
131.08495	1.1
131.97404	0.8
133.02823	0.8
133.06384	1.2
133.10086	1.3
135.04405	0.8
136.07541	11.0
136.08559	1.0
137.02316	14.0
137.03351	0.5
137.09595	0.7
143.03291	0.6
143.04865	2.4
144.06525	1.1
144.08026	3.5
145.06438	0.9
147.04584	6.3
147.07962	0.7
147.11476	0.9
155.06970	0.9
156.07503	2.9
159.07921	0.7
161.05946	5.5
162.09055	2.5
163.03842	0.8
163.07428	0.7
164.07365	13.7
166.06088	0.9
169.09694	0.6
169.92856	0.6
170.09288	0.7
171.11388	0.9
172.07590	1.0
173.07957	1.0
174.08310	1.9
175.03847	2.1
175.07430	1.0
175.08800	4.8
175.11848	0.8
175.14792	0.7
176.07021	0.6
179.10631	10.1
181.02776	1.3
187.10760	8.9
188.92361	2.0
189.05458	7.5
189.12645	0.8
190.08517	1.1
191.03394	0.6
191.07001	0.9
192.07631	3.5
193.92908	1.6
195.11237	0.7
196.98915	0.9
207.11232	8.2
209.10225	1.1
211.94044	3.5
214.63847	0.7
216.95703	0.6
217.04936	1.3
217.07431	1.3
217.09521	0.9
217.12192	0.7
217.19493	1.5
218.05472	2.5
218.08232	1.8
218.10953	6.8
228.65703	0.6
234.96886	7.7
234.98961	0.9
235.02324	0.7
235.05966	13.3
235.08368	1.3
235.11160	10.8
235.16809	40.7
235.20543	3.0
235.97655	1.1
236.05521	0.6
237.13472	1.3
248.94685	2.0
251.14975	1.5
252.97894	23.3
253.98190	1.0
257.98206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1492
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.67722	0.5
55.05498	1.4
56.04751	0.9
56.05024	15.3
57.03421	2.8
58.06590	4.9
59.14224	0.4
60.04509	0.7
61.02909	0.8
68.00924	0.5
69.03424	0.5
69.07067	2.6
69.88529	3.0
70.06564	1.4
72.07755	0.7
72.08142	11.1
73.08485	0.4
74.06065	100.0
75.04465	0.6
76.02213	1.9
83.06086	1.0
84.04494	5.9
84.08131	1.1
85.02878	0.5
86.09690	55.2
97.02934	0.6
97.30360	0.5
101.00874	1.0
101.07133	3.2
102.05509	0.5
103.02412	0.6
104.07069	1.3
109.70305	0.5
110.07166	0.7
115.39649	0.4
119.01904	3.1
120.06560	1.3
130.04990	1.1
130.08603	0.6
132.10178	22.9
133.03473	2.7
134.08104	1.3
137.02922	0.5
139.05858	0.5
142.12286	2.5
143.01859	2.1
143.11783	0.9
144.06642	0.5
146.06026	0.5
150.96930	0.6
151.04509	1.1
152.28098	0.5
161.02948	2.8
161.56836	0.5
162.07558	0.5
169.13338	2.1
170.08086	0.6
172.13029	0.4
176.60181	0.5
187.00827	4.9
187.05533	1.0
187.07518	1.8
187.14394	19.8
191.03947	1.3
201.02354	0.9
205.01900	1.3
210.02513	2.5
215.06998	2.4
215.13858	7.4
219.03464	0.6
233.05817	2.5
233.08084	2.2
233.11215	0.9
233.14934	21.8
253.14313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57908	0.5
53.80593	0.4
55.05498	0.8
60.04514	45.7
69.49622	0.5
70.02947	3.3
70.06579	2.3
70.34678	2.8
72.08139	4.1
74.06061	1.0
82.77965	0.5
84.04486	0.8
84.08127	3.5
85.01121	0.9
86.09690	100.0
87.05586	3.6
88.03989	1.9
88.49220	0.5
91.05479	2.5
102.03753	1.6
104.07056	1.0
110.07121	0.5
120.08085	5.8
126.05432	0.5
126.09150	1.0
128.06206	0.8
128.10675	2.5
129.06966	1.3
129.10220	1.6
130.08614	0.9
131.08511	0.7
136.07520	0.6
146.11734	72.6
155.11778	1.4
159.08049	1.6
161.12790	0.7
172.05180	1.0
173.12831	31.6
187.07477	3.3
197.38171	0.5
200.04614	0.8
201.12329	4.5
201.14079	0.8
215.06989	7.3
215.13908	3.8
233.07991	5.6
233.14922	15.5
233.17139	1.0
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	Phyllantidine
Peak:m/z	Relative Intensity
50.22791	0.4
53.74297	0.5
55.05505	0.9
56.05028	2.0
57.05351	0.4
58.06606	0.7
60.04509	1.0
65.03935	0.5
65.04482	0.4
65.59008	0.5
66.61047	0.4
67.05518	0.5
69.07064	0.8
70.06582	7.9
70.25130	1.5
70.25558	0.9
72.08144	2.7
73.08472	0.5
74.06068	7.8
75.06408	2.3
83.04959	0.6
83.37128	0.4
84.04500	1.1
84.08131	4.0
86.09679	3.3
87.10040	1.0
91.05476	1.1
92.05039	0.5
103.05450	0.7
104.23205	0.4
104.48254	0.4
107.09991	0.5
110.06026	0.9
110.07156	2.8
111.04408	1.1
115.05472	1.9
119.04909	0.4
120.08086	2.8
128.06219	1.0
129.07013	2.9
129.10220	1.4
130.02887	0.7
130.06493	0.6
130.08665	0.6
131.04919	1.9
132.04424	1.4
132.10211	0.7
133.10492	1.1
134.78824	0.4
136.07593	1.3
143.04903	4.7
143.08505	0.9
146.05969	1.4
147.04333	2.5
148.03882	0.6
153.07031	2.1
155.07106	2.4
155.08565	1.0
156.07712	2.3
157.06470	1.4
158.06009	1.6
159.04404	6.2
160.07529	0.5
161.05965	6.9
161.07207	0.5
167.98309	0.4
169.05199	1.4
169.06514	1.0
170.06062	2.7
170.09631	15.2
171.04424	1.3
171.08000	1.0
173.08049	2.4
175.03947	1.4
180.08089	3.8
181.06465	2.4
181.08841	0.5
182.05965	3.1
183.06786	16.7
188.07765	0.8
188.14748	0.7
189.05440	9.5
189.07022	0.9
196.07504	4.2
197.08318	1.2
198.09123	92.9
199.09491	1.8
211.94090	0.8
216.07288	1.3
216.10165	12.3
216.13806	0.6
217.05013	0.9
217.10689	6.8
217.15503	0.5
234.11220	100.0
234.96896	1.0
235.05940	3.9
235.11478	1.8
252.97914	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	234.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75316	0.3
55.05505	0.4
56.05026	8.2
57.07068	5.8
58.06591	5.4
59.40176	0.3
60.04508	1.3
63.54502	0.3
68.05008	0.8
69.07030	0.4
70.06554	0.4
70.94888	0.5
70.95223	0.5
71.08622	3.5
72.08186	0.4
74.06070	8.8
84.08150	0.4
86.06035	0.9
86.09695	0.4
88.07616	22.9
88.78185	0.3
104.07097	0.6
112.08586	0.3
115.03674	0.3
118.08625	5.0
122.08126	5.8
129.05429	0.4
136.33955	0.3
138.62794	0.3
153.81224	0.3
184.99127	0.3
186.18504	44.4
187.18871	0.6
197.95924	0.3
216.19653	1.5
217.10646	1.0
223.19987	0.4
234.20604	100.0
235.17036	0.4
235.20935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03929	1.4
55.01853	1.9
55.05492	2.2
56.05028	0.9
56.96548	1.7
57.65848	0.5
58.23453	0.6
59.04969	0.8
64.10664	0.6
65.03918	1.0
67.05502	3.2
69.03416	3.2
69.07059	4.5
70.06560	1.7
70.31657	1.4
70.32048	1.5
71.04971	1.8
71.06912	0.5
72.08129	0.8
77.03909	0.6
79.05056	0.9
79.05480	12.1
81.07042	5.7
82.05189	0.6
83.04963	2.4
84.08152	1.1
85.06520	1.1
86.09678	2.1
87.00810	0.8
91.04957	0.9
91.05470	9.9
93.07035	9.3
94.11719	0.5
95.04966	4.8
95.08587	1.9
97.06498	1.0
98.97540	0.7
99.04430	4.3
103.05472	1.4
105.07019	20.5
107.04949	15.9
107.05589	0.3
107.08578	4.7
107.86005	0.6
109.06515	2.1
111.04437	1.2
113.05956	0.8
115.05419	1.2
116.06210	1.2
116.98674	1.1
117.06992	11.4
119.04904	5.5
119.08566	8.0
120.08091	2.6
121.06505	10.7
121.10152	3.1
123.08053	0.7
125.06012	0.9
128.06253	3.4
128.98550	0.9
129.06987	7.1
130.07762	6.7
131.04872	1.4
131.08545	7.5
133.06451	3.0
133.10112	3.2
134.99742	0.8
135.04370	1.0
135.08047	3.2
135.11668	3.4
137.06006	1.3
141.06961	1.5
143.08533	5.6
144.05701	1.0
144.09320	1.9
145.06453	4.2
145.10106	52.3
146.10417	0.7
147.08040	3.5
147.11693	7.0
148.08829	2.9
149.05928	1.2
149.13171	0.9
154.07732	2.4
155.08496	1.4
157.06400	0.9
157.10112	0.9
158.07234	2.4
159.08064	8.3
159.11674	11.0
161.09563	1.1
163.11163	76.3
164.11531	1.5
169.10117	5.0
171.07980	1.3
171.11691	1.5
172.05186	2.5
172.08823	1.5
173.09605	100.0
174.10039	1.3
175.07549	1.2
177.12891	0.7
179.08569	1.0
182.07326	0.8
186.18523	1.6
187.07535	15.0
187.11154	17.8
187.14813	1.1
189.12781	3.8
191.10629	4.9
197.09579	3.1
200.04771	4.7
201.09348	0.6
205.08530	1.0
205.12212	4.6
215.07030	27.6
215.10579	16.9
215.14188	1.6
215.17931	1.4
216.07353	0.7
217.10483	0.8
233.08055	22.4
233.11716	23.0
233.15161	4.7
233.18944	1.8
234.12083	0.6
234.20615	5.7
251.12990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05518	0.5
56.05027	16.3
57.03436	3.1
58.06595	3.8
69.07059	2.0
70.06580	2.1
71.61980	0.8
72.08145	4.9
74.06068	100.0
75.04454	0.5
75.06380	0.5
75.10814	0.4
84.04490	3.4
84.08134	0.9
86.09693	29.3
88.03953	0.5
101.07141	3.6
110.07168	0.7
116.07079	1.1
119.05039	0.5
132.10184	22.5
134.08115	3.9
142.12213	1.9
143.11766	0.5
165.15913	0.5
169.13326	1.9
187.07492	1.3
187.14388	17.7
215.06978	2.8
215.13866	5.8
233.08098	3.0
233.12579	1.1
233.14914	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	233.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96348	11.9
70.38966	48.2
72.08146	42.2
86.09679	45.4
97.27270	13.5
98.21451	14.1
143.01927	19.0
161.02904	18.7
233.04169	100.0
233.06291	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75641	7.4
51.01356	6.4
56.05008	15.8
57.03421	8.3
58.06579	10.9
62.93676	7.6
63.22972	7.1
63.64433	7.1
65.97910	7.7
72.08143	57.5
73.39089	7.1
73.84695	7.9
74.06075	100.0
76.02246	6.9
84.04475	23.9
86.06009	7.2
86.09688	73.6
87.04431	16.8
101.00809	8.2
104.07060	12.6
119.01899	30.9
132.10141	20.8
133.03456	15.2
143.01871	17.6
161.03008	38.8
161.04153	8.7
164.75854	7.2
187.00854	24.0
187.07474	13.8
187.14384	18.3
191.03978	16.7
205.01776	10.6
210.02623	6.9
215.06943	22.2
216.08760	8.9
233.04184	19.9
233.08031	17.6
233.14775	19.7
251.19827	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	233.117
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
52.78984	1.0
53.03928	2.8
55.01872	4.6
55.05499	7.0
56.05028	1.4
56.96558	0.9
57.03427	1.5
57.07060	2.1
63.33046	0.8
65.03905	1.4
65.77028	0.7
67.05492	12.6
68.99773	2.1
69.03425	7.1
69.07064	7.7
70.06582	5.6
71.04984	7.6
71.69358	0.8
71.69754	1.5
72.08147	5.0
74.06056	1.6
76.02190	0.9
79.05482	18.7
81.03404	1.2
81.07047	11.4
83.04972	6.4
83.08605	1.1
83.93876	0.7
84.04475	1.9
84.08144	5.6
85.02876	1.6
85.06528	2.8
86.09695	21.4
91.05463	37.6
92.05807	0.9
93.07027	20.6
95.04952	15.5
95.08604	7.4
96.08116	1.0
97.02891	1.8
97.06523	3.6
98.97558	2.6
99.04439	22.5
103.05424	4.9
103.31615	0.8
105.07013	44.1
107.04939	16.0
107.08575	10.1
109.06544	4.3
109.10145	3.7
110.07134	2.4
111.04433	1.5
111.08055	1.5
113.06020	0.9
115.05437	3.7
116.06213	3.6
116.98599	2.5
117.06351	0.6
117.06997	23.8
119.04919	22.3
119.08563	19.0
120.08084	36.3
121.06485	24.0
121.10198	5.4
123.04449	1.3
123.08064	1.3
125.06017	1.9
128.06204	12.7
129.06982	26.0
129.07916	1.8
129.10233	2.9
130.07796	10.4
131.04904	3.1
131.08549	31.0
131.09526	1.7
133.06470	5.3
133.10104	16.2
135.04402	3.2
135.08034	6.2
135.11687	4.8
137.05946	2.8
137.09641	1.0
141.06934	5.7
142.07739	2.6
143.08545	12.9
144.05707	3.9
144.09322	7.0
145.06465	12.4
145.10101	89.3
146.07332	0.9
147.08044	8.5
147.11667	8.3
148.08836	4.5
149.05983	1.9
149.09615	2.4
149.13211	1.3
153.06921	1.6
154.07758	7.0
155.04886	1.4
155.08537	4.5
156.09344	2.0
157.06471	3.0
157.07617	1.4
157.10104	5.2
158.07233	6.4
159.08034	24.3
159.11661	37.1
161.06000	1.2
161.09608	4.6
161.13197	2.7
163.07515	4.8
163.11157	100.0
164.11586	1.5
169.10094	16.6
171.07980	3.1
171.11678	4.8
172.05183	8.4
172.08826	6.2
173.05972	2.8
173.09598	89.1
173.13115	6.0
174.09961	2.6
175.07518	5.0
175.11177	2.1
177.00630	1.7
177.09087	3.6
177.12679	3.1
179.08549	3.2
182.07275	1.8
185.05931	1.9
187.07524	46.1
187.11145	75.8
187.14754	7.1
188.11453	1.6
189.09036	1.0
189.12764	3.1
189.16406	1.7
191.10632	10.3
197.09566	12.2
197.13242	1.6
200.04659	11.0
205.04881	1.9
205.08528	2.8
205.12210	14.7
205.16032	0.9
215.07016	83.2
215.10587	57.4
215.14232	6.7
215.17924	3.3
216.07309	2.4
217.10698	3.1
220.16960	1.2
223.67662	1.0
232.68217	2.7
233.08061	69.4
233.11716	46.3
233.15335	19.8
233.18761	6.0
233.22308	3.2
234.08409	2.2
234.11993	1.1
240.19507	1.0
251.12766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01871	0.4
55.05504	8.3
55.57198	0.2
56.05029	1.2
56.96555	0.6
57.03418	0.3
57.05813	0.8
57.07073	0.2
58.37510	0.2
60.04504	0.7
60.05641	0.3
66.48205	0.2
67.05497	0.3
68.99751	0.3
69.03420	6.6
69.07066	1.1
70.06584	5.5
70.06879	0.1
70.07415	0.2
71.04980	0.9
71.06908	0.4
71.74509	0.3
72.08144	100.0
73.08486	0.5
74.06062	1.0
79.05495	0.2
81.03400	3.3
81.03842	0.3
81.07066	0.3
82.06600	0.3
83.04970	0.2
83.29411	0.2
84.04482	1.8
84.08132	4.5
84.08613	0.3
85.02890	3.2
85.06518	0.3
85.08488	0.2
85.24603	0.2
86.06042	0.3
86.09692	23.4
87.00803	1.3
87.08074	0.3
87.10018	0.9
88.03987	0.4
90.05543	2.4
91.05461	0.5
95.04944	0.2
97.02874	2.1
98.06068	0.3
99.04453	1.8
100.07546	0.4
100.99145	0.2
101.02392	0.2
102.05541	0.4
103.05441	0.2
105.01852	0.4
105.07024	0.4
106.05093	0.2
109.02870	1.9
110.06013	0.3
110.07155	0.7
111.04431	0.5
112.08726	0.3
114.09151	26.6
115.05436	0.4
115.08721	0.2
115.09514	0.3
116.07055	1.3
117.07417	0.7
118.07530	1.0
118.08645	0.6
120.08084	1.5
121.72587	0.2
123.04371	0.2
127.03883	2.2
128.06198	0.3
128.07092	0.5
128.98598	0.2
129.06979	0.6
129.10208	2.2
130.04950	0.3
130.08641	0.5
132.10182	3.0
135.04314	0.3
140.07048	0.3
142.08614	9.5
143.04915	0.3
145.04951	0.2
146.99609	0.3
147.04417	0.8
147.11256	0.5
157.06464	0.8
157.09995	0.2
160.05179	0.4
161.05965	0.6
171.04411	0.3
172.00517	0.2
174.03085	0.4
175.07532	0.8
175.11942	0.4
185.05949	0.7
185.13287	0.2
185.16490	1.2
186.09029	0.2
186.14868	0.6
187.03854	0.2
187.14449	0.3
188.04655	0.4
188.07120	0.2
189.05458	0.4
196.13387	0.3
203.03401	0.5
203.06990	1.5
208.99747	0.4
213.05464	0.2
214.14381	1.5
216.04149	9.2
217.04527	0.5
231.03044	1.6
231.06496	8.5
231.10204	0.4
231.13626	0.8
231.17068	4.6
231.63284	0.3
232.06754	0.2
252.89342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1699
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03936	0.7
55.05502	9.3
56.05027	0.7
56.85053	0.2
56.96540	0.3
57.05800	0.7
57.47560	0.2
60.04518	0.8
61.01143	0.2
67.05526	0.5
68.99780	0.2
69.03420	5.0
69.07048	0.5
69.92568	0.8
69.92983	0.4
70.06577	1.9
71.04993	0.6
71.06902	0.2
72.08141	100.0
73.08488	0.3
74.06048	0.3
81.03399	2.5
84.04493	0.5
84.08131	2.8
85.02892	2.3
86.09691	4.2
87.00808	1.3
88.03966	0.3
91.05472	0.5
93.07063	0.3
95.08575	0.3
97.02853	1.1
99.04435	1.2
103.79497	0.2
104.05299	0.8
109.02814	1.0
109.10128	0.2
110.07161	0.3
110.09670	0.3
111.04506	0.2
120.08083	0.7
127.03898	1.8
129.10213	1.4
130.08591	0.3
132.10179	28.5
135.04697	0.2
145.04895	0.2
147.11493	0.2
158.09949	0.6
170.06015	0.3
171.11636	0.3
171.14896	2.2
173.12881	0.3
199.14383	0.6
203.07011	0.3
203.12135	0.2
216.04135	3.7
231.04739	0.3
231.06511	3.1
231.09953	0.4
231.13518	0.5
231.17003	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	231.1699
Annotation	Val Ile
Peak:m/z	Relative Intensity
53.03914	0.3
55.05499	10.2
56.05035	0.3
57.05800	0.9
69.03384	0.2
69.87743	0.7
69.88146	0.4
70.06566	0.3
72.08139	100.0
73.08472	0.2
84.08121	0.7
86.09689	5.7
103.78095	0.2
129.10194	0.3
132.10168	4.5
185.16423	1.5
216.04184	0.4
231.02998	0.2
231.06537	0.3
231.17010	5.2
231.19312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
53.30616	0.7
55.05490	3.9
57.03423	4.1
57.07055	2.1
58.03864	0.8
58.63223	0.8
59.04986	1.9
65.11063	0.8
67.05508	4.0
69.03411	2.5
69.07042	4.2
69.66646	0.7
70.06566	2.4
71.04986	13.4
71.71963	1.4
73.06532	1.9
75.04460	2.0
79.05462	2.4
81.07046	8.2
83.04951	1.3
83.08595	2.5
85.06543	5.0
86.09212	1.6
86.09697	22.4
91.05450	3.6
93.07021	7.8
95.04954	100.0
95.08607	7.2
96.05266	1.4
97.06522	13.2
97.10143	3.4
99.04438	13.8
99.08078	17.4
100.11231	2.5
105.06990	5.5
107.08581	9.1
109.06499	11.9
109.10133	5.5
111.08069	2.9
111.45401	0.8
113.09629	1.9
115.07521	3.3
119.08566	5.3
119.69016	0.8
121.10125	11.1
123.08033	1.5
123.11691	5.0
125.09629	7.7
127.07542	6.7
131.08533	3.1
133.10112	23.5
135.08026	2.4
135.11639	2.6
139.11153	8.1
143.10664	6.7
145.10129	1.1
147.11662	4.9
149.13214	3.7
151.11130	2.3
153.09081	28.4
153.12759	1.0
153.14255	0.9
163.14787	2.7
165.12715	1.2
167.10677	1.3
171.08765	1.2
171.10170	13.2
173.13263	7.8
181.04883	1.0
191.14284	7.3
199.18117	1.8
209.15326	19.8
227.16383	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	228.1593
Annotation	(+)-Epilupinine N-oxide acetate ester
Peak:m/z	Relative Intensity
52.00611	0.3
52.50262	0.3
53.03912	0.3
55.01849	0.5
55.05502	2.0
56.05030	1.9
57.07068	0.3
58.06586	0.6
60.04518	1.6
60.05616	0.9
60.08133	1.0
61.02913	0.7
63.42192	0.3
67.05479	1.0
68.05016	0.6
69.03404	1.2
69.07061	1.8
70.02940	0.6
70.06583	22.5
70.21048	1.5
70.94254	0.4
71.04961	0.5
71.06907	0.6
72.04508	0.3
72.08147	8.6
72.93782	0.4
73.02892	0.8
74.06050	0.9
76.04000	0.4
79.05466	1.1
81.03411	0.8
81.04518	0.4
81.07050	0.7
82.06580	2.1
83.06087	0.7
84.04488	3.8
84.08130	13.2
85.02899	1.9
85.08464	0.6
85.39360	0.3
86.06055	0.4
86.09695	10.2
87.04431	0.5
87.05563	0.8
88.03992	1.6
90.05536	0.5
91.05472	1.5
93.04516	0.7
93.07028	2.2
94.06546	0.8
95.04949	0.4
95.06065	0.5
96.08117	2.8
96.09036	0.3
97.02866	1.3
97.08873	0.5
98.02389	0.4
98.06032	0.8
98.09623	0.3
100.02460	0.7
101.00862	0.9
101.07116	0.4
101.10693	0.3
102.05515	0.3
105.07004	0.5
107.04918	0.3
107.08562	1.1
109.02831	0.3
110.06010	0.5
110.07150	8.1
111.07478	1.0
111.09219	0.4
111.96857	0.6
112.07526	0.3
112.08702	1.0
112.96692	0.5
114.05537	0.6
114.09171	0.3
115.02473	0.4
115.08632	0.8
116.07097	1.7
118.03503	0.9
119.01907	4.5
120.02012	0.7
120.08109	0.6
121.01647	0.9
121.06495	0.3
122.07051	0.3
124.07559	0.5
124.11240	0.4
125.09597	0.7
126.05527	0.4
127.03896	0.5
127.08677	0.4
127.60276	0.3
129.10231	11.7
129.97952	0.3
130.05003	0.7
130.08591	0.6
131.01865	1.2
131.97411	0.5
133.03426	1.0
133.10074	0.5
135.08070	0.4
136.06201	0.3
136.07567	0.8
136.08675	0.6
137.02925	1.3
137.06013	0.4
138.05414	0.5
138.06563	0.5
138.09122	0.8
139.02681	0.6
141.10184	1.4
142.08586	1.7
143.01894	0.7
144.01025	0.5
144.99779	0.5
145.03433	0.9
147.05757	1.2
147.11249	0.6
149.98383	0.3
150.05467	0.6
150.12753	6.9
150.96936	0.3
151.04436	0.4
152.07045	0.3
155.11781	0.9
156.06432	0.5
156.07663	3.8
157.03432	0.5
157.07997	0.6
157.10902	0.4
161.02945	1.5
162.06046	0.6
163.02675	0.3
163.04547	0.3
164.07007	0.8
164.14339	0.9
166.08560	0.4
168.07343	0.6
168.13820	23.5
168.99706	0.4
169.09715	0.7
169.14345	0.3
172.99297	0.5
173.02930	0.7
173.09242	0.5
174.04482	0.4
175.04518	1.2
175.11871	1.0
177.02382	0.4
177.04019	0.3
178.05899	0.4
182.06303	0.5
182.09322	0.5
183.11259	1.2
183.14963	0.6
186.03110	0.3
186.06093	1.6
187.00774	0.8
187.02553	0.4
187.04463	0.9
187.99974	0.6
189.81577	0.3
192.06497	0.9
192.13808	1.1
195.11252	0.5
196.00824	1.0
198.11023	0.9
200.13902	1.0
200.15388	0.4
203.03961	0.4
204.05457	0.3
204.07173	1.4
205.01881	0.8
205.05498	0.7
205.98923	0.4
206.01088	0.7
209.10245	0.8
210.07593	1.1
210.14864	28.9
211.11880	1.2
211.15245	0.4
212.98312	0.3
214.01993	0.7
215.00313	0.5
221.02962	0.8
223.02821	0.7
228.03629	0.7
228.15912	100.0
228.23096	1.6
229.15405	6.4
244.16486	0.5
246.04634	0.3
246.08228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1084
Annotation	6-Benzylaminopurine
Peak:m/z	Relative Intensity
62.95913	0.1
65.03928	1.1
69.45026	0.1
70.72656	0.4
72.08164	0.2
74.02192	0.1
91.05466	100.0
92.05801	1.0
96.41084	0.1
100.77833	0.1
120.08102	0.1
134.19130	0.1
139.60147	0.1
148.06178	1.8
157.07599	0.1
184.08676	0.2
189.93175	0.1
199.09743	0.2
209.08124	0.2
226.10840	70.8
227.11163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1434
Annotation	Terbutaline
Peak:m/z	Relative Intensity
53.03937	0.2
55.05494	0.3
56.05029	0.8
57.03420	0.4
59.74569	0.1
61.02890	0.1
67.05496	0.3
69.03411	0.2
69.07066	0.2
70.06567	0.4
70.10267	0.7
71.04969	0.4
73.63084	0.1
79.05482	0.3
80.05007	0.2
81.03416	0.3
82.06561	0.3
83.06087	0.3
84.08121	0.7
85.02879	0.3
86.06049	0.4
91.05468	0.4
93.07027	0.4
94.06554	1.5
95.04929	0.2
95.08585	0.3
96.08114	0.6
97.06477	0.4
98.21421	0.2
99.04436	0.2
105.06993	0.3
107.08549	0.2
108.08098	2.7
109.06526	0.2
109.08904	0.3
110.09647	0.5
111.08068	0.2
119.01888	0.4
120.08086	0.5
122.09650	1.2
123.08048	2.2
124.77316	0.1
126.49498	0.1
131.08533	0.6
134.09654	0.2
136.07498	0.3
140.10692	2.2
143.01921	0.1
145.03465	0.2
146.09566	0.2
148.11191	5.6
149.09615	0.6
150.09122	0.7
161.02962	0.3
162.09248	0.1
162.12762	0.2
166.12256	18.6
167.12677	0.2
168.10207	1.8
173.02930	0.3
185.02980	0.2
186.06190	0.2
190.12242	0.2
206.11760	0.2
208.13298	3.2
209.12865	0.2
226.14346	100.0
227.14778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1436
Annotation	Prenalterol
Peak:m/z	Relative Intensity
53.03934	0.2
53.29171	0.2
55.05496	0.5
56.05028	1.3
57.03415	0.6
60.04510	0.4
61.02903	0.8
67.05486	0.4
69.03405	0.8
69.07045	0.3
69.49268	0.4
69.49690	1.4
70.06580	3.9
71.04965	0.6
72.08135	0.7
73.02907	0.2
79.05476	0.3
81.03392	0.7
82.06548	0.5
83.06092	0.4
84.04491	0.6
84.08131	4.1
85.02882	0.9
86.06036	0.7
86.09676	0.6
91.05451	0.5
91.06799	0.2
93.07038	0.5
94.06561	1.6
95.04955	0.3
95.08575	0.2
96.08122	1.1
97.02876	1.5
97.06470	0.5
98.09643	0.2
98.21444	0.3
99.04431	0.3
101.00861	0.5
105.07004	0.4
106.06526	0.2
108.08108	2.7
109.02902	0.3
109.08898	0.4
110.07168	0.8
110.09651	0.6
112.07595	0.2
112.08719	0.3
113.02320	0.2
114.09146	0.4
115.02394	0.2
119.01888	1.7
120.01998	0.6
120.08086	1.4
121.01637	0.4
122.09665	1.5
123.08053	2.2
125.07074	1.8
127.03842	0.2
129.10219	1.2
130.08582	0.2
131.01863	0.6
131.08533	0.7
132.10133	0.2
133.03404	0.5
135.05019	0.2
136.06168	1.6
136.07124	0.2
136.07559	0.3
137.02939	0.3
138.09160	0.2
140.05005	0.2
140.10655	1.4
143.01877	0.7
143.03630	0.2
144.82349	0.2
145.03416	0.7
146.04945	0.4
146.09705	0.3
148.11188	5.6
149.09576	0.6
150.09137	0.8
154.07375	0.3
155.01859	0.3
155.05472	0.4
156.07680	0.2
156.97357	0.2
157.03406	0.5
160.04543	0.3
161.02939	1.4
162.12749	0.4
166.12253	19.5
167.06946	0.2
168.10199	1.7
172.11157	0.3
173.02916	0.8
174.98474	0.3
175.04501	0.3
175.11795	0.3
179.03984	0.2
180.10098	0.3
181.13164	0.3
181.64195	0.2
183.04979	0.2
183.14859	0.4
184.04439	0.2
185.02960	0.9
185.04474	0.2
186.06125	0.3
190.12268	0.3
198.06073	0.3
203.02293	0.3
203.03928	1.2
203.53299	0.2
208.13293	3.7
209.12811	3.7
215.04022	0.2
221.03122	0.3
221.04956	1.0
226.14326	100.0
227.03967	0.2
227.14742	1.5
244.06671	0.3
245.04994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01862	26.2
55.05507	23.6
56.05018	2.8
57.03416	7.4
57.07061	3.8
59.04987	2.7
67.05159	3.3
67.05495	38.4
68.99766	3.0
69.03419	7.4
69.07053	22.9
70.06584	13.1
70.20245	10.9
71.04977	7.7
72.08137	3.7
72.93774	3.4
74.57084	2.1
79.05494	23.2
81.03420	2.3
81.07054	27.1
83.04971	55.4
83.08601	15.9
84.04469	3.0
84.08139	12.1
85.02887	3.3
85.06530	6.2
86.09692	20.8
91.05474	19.4
92.05772	3.0
93.07034	34.6
95.04944	13.5
95.08600	13.5
97.06538	18.0
97.10143	4.4
98.09724	2.3
99.04436	10.4
99.08088	6.1
100.07616	2.0
100.11237	33.1
103.05422	2.8
105.06982	7.4
107.04927	5.5
107.08565	30.7
109.06502	8.5
109.10141	24.7
110.06065	2.7
110.07117	6.0
111.04430	100.0
111.08063	45.3
113.96376	5.6
117.06976	5.3
119.08581	10.2
120.08074	4.8
121.06492	7.1
121.10120	21.4
123.04486	2.7
123.08015	4.6
123.11653	2.7
125.06000	5.6
125.09628	8.0
129.05443	3.0
129.06984	5.2
129.10220	4.6
131.04889	3.3
131.08540	12.3
131.97412	9.3
133.10095	4.7
135.08008	4.9
135.11674	25.0
137.05934	2.6
140.04716	3.6
143.08528	6.1
145.10101	18.3
147.11641	6.1
149.05934	4.4
149.09587	7.5
149.13219	5.1
151.11160	3.3
153.09099	7.4
153.12741	55.6
154.15833	2.9
155.06915	2.9
155.08502	4.6
157.10234	5.8
159.11595	2.4
163.11166	54.8
167.07019	30.2
169.08630	10.7
171.08023	2.1
171.11662	5.6
173.09605	8.9
173.13216	2.6
177.05515	10.6
181.04938	4.1
181.12204	65.2
182.15401	2.0
185.11800	2.8
185.13222	4.4
191.10640	40.6
191.14311	3.6
195.10197	5.2
199.10977	2.2
209.08041	8.5
209.11757	11.0
209.13443	2.6
209.15088	3.7
209.16701	3.1
227.06990	4.8
227.10667	6.5
227.12669	29.7
227.17841	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	225.1477
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	3.0
55.01854	2.9
55.05503	29.9
56.05021	3.8
56.61911	2.5
57.03414	3.8
57.07052	7.8
58.06583	3.9
58.97694	2.4
59.04990	12.8
61.89686	2.6
62.11623	2.5
65.03908	6.4
67.05491	36.4
69.03405	13.7
69.07057	18.5
70.06584	13.0
71.04963	10.3
71.58650	5.4
72.08152	27.0
79.05480	25.7
80.05009	2.9
81.07043	24.6
82.06554	4.0
83.04955	15.3
83.08575	3.5
84.04446	3.9
84.08138	25.9
85.02866	5.9
85.06507	12.0
85.08445	3.1
86.09675	12.5
91.05465	40.0
93.07028	27.8
94.06561	3.5
95.04968	16.9
95.08595	100.0
96.08098	7.5
96.08900	2.7
97.06503	11.4
99.04451	14.7
103.05444	6.6
105.03353	5.4
105.07007	41.7
107.04878	4.0
107.08575	51.4
108.05660	3.2
108.08137	3.3
109.06495	23.4
109.10149	17.9
111.04396	2.6
111.08040	4.2
113.05976	8.9
115.05419	4.3
117.06978	4.4
118.04153	4.3
119.04926	30.9
119.08572	35.8
120.08086	39.8
121.06463	9.2
121.10149	17.8
122.09634	5.0
123.08055	75.3
123.11693	8.0
124.11174	3.3
125.05946	11.9
125.09567	6.2
129.10225	14.0
130.08629	6.3
131.08553	3.9
131.40424	2.8
133.06444	5.5
133.10095	9.7
135.08046	13.7
135.11665	22.1
136.05110	3.2
137.09598	38.5
141.09055	6.7
145.10045	5.6
147.04402	22.9
147.08009	4.2
147.11650	23.1
149.02293	4.1
149.09604	26.9
151.07526	14.5
151.11172	3.8
151.14792	4.2
153.09056	7.0
156.09309	6.1
161.09615	3.3
161.13249	24.0
163.11139	17.9
165.09093	3.6
165.12712	8.3
167.10637	11.3
171.11720	7.3
175.03870	28.9
177.10214	4.8
179.06987	4.8
179.10701	4.0
179.14299	4.9
181.12166	6.2
183.13745	6.1
189.12689	21.6
192.04167	11.6
207.06477	51.2
207.13719	25.8
210.14812	9.8
210.18625	5.4
211.15140	8.0
211.18915	3.4
215.66069	7.7
220.16934	7.0
221.17348	5.8
224.66547	57.7
224.68352	4.8
225.09230	4.8
225.14732	16.3
225.16766	11.9
226.17982	2.8
238.17964	8.0
239.18340	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03948	4.1
53.81460	3.5
54.01440	3.4
55.01850	4.8
55.05507	19.0
55.07515	3.5
57.03407	6.2
59.04760	4.0
59.04994	42.5
65.03927	6.2
67.05485	28.4
67.96056	3.9
69.03411	16.1
69.07055	11.5
69.60081	34.5
70.06588	3.7
71.04967	7.4
72.08134	9.1
78.38309	3.5
79.05498	20.5
81.07030	20.9
83.04932	5.9
84.08143	5.2
91.05466	35.0
93.07032	41.2
93.88911	3.5
95.04943	12.3
95.08601	30.4
99.04467	6.3
105.07012	58.7
107.04909	8.3
107.08578	92.0
109.06493	26.7
109.10130	18.1
111.08067	5.4
119.04941	13.8
119.08570	59.0
120.08088	7.7
121.06466	11.2
121.10101	13.8
123.07194	6.6
123.08054	100.0
125.05969	5.9
125.09596	7.9
130.08626	4.3
131.08527	6.0
133.06482	8.7
133.10104	31.4
135.08035	43.0
135.11685	28.9
137.09604	67.3
137.13249	3.9
147.04384	10.8
147.07979	7.9
147.11684	31.6
149.09573	15.3
151.07559	8.7
153.09090	24.5
154.57483	4.0
156.09329	5.2
161.09621	5.4
161.13261	26.9
163.11182	11.6
165.12750	5.3
171.11684	10.2
174.10353	4.9
175.03946	19.4
189.12677	25.1
192.04140	4.1
207.06509	29.7
207.13777	22.8
225.14790	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01854	8.1
55.05495	26.3
57.03419	6.6
58.52543	5.2
59.04980	16.1
59.06601	5.0
67.05492	44.2
69.03419	25.1
69.07055	26.4
69.91939	19.3
70.06565	19.4
71.04967	16.5
72.08141	28.7
76.02159	5.6
79.05470	30.1
81.03379	17.9
81.07034	39.7
83.04958	34.2
83.08620	7.8
84.08136	26.9
85.02863	13.0
85.06532	9.8
86.09682	10.1
91.05472	67.7
91.81679	5.3
93.07035	45.6
95.04942	19.3
95.08588	64.6
96.08186	4.6
97.06500	12.1
98.21550	6.8
99.04425	16.2
99.08044	5.5
100.07619	6.6
105.07010	68.2
107.04922	16.8
107.08575	63.6
109.02886	9.3
109.06493	52.9
109.10136	40.8
111.04427	9.4
117.06975	15.4
119.04877	8.7
119.08563	71.3
120.08065	21.0
121.06517	11.7
121.10104	41.4
123.04469	5.1
123.08044	68.6
123.11662	12.7
125.09572	16.5
127.07520	5.9
129.10271	6.3
130.08693	4.7
131.08562	6.6
133.06511	10.2
133.10123	33.0
135.07991	14.1
135.11639	20.6
137.09592	100.0
137.13245	5.5
145.10081	20.4
147.04369	5.8
147.08044	25.4
147.11646	37.9
149.09589	57.7
151.07487	15.9
153.09055	7.6
156.09303	5.1
159.11617	6.7
161.09586	14.3
161.13211	40.0
163.11160	51.9
165.09081	96.5
165.12718	11.1
167.10657	24.7
171.11647	16.3
175.03763	5.1
177.12665	13.0
179.10623	7.9
179.14247	7.5
183.08063	11.3
183.13728	6.6
189.12729	48.2
205.15627	8.8
207.06451	16.7
207.10112	4.9
207.13716	54.2
212.16418	6.5
224.66570	11.2
225.05438	17.5
225.09056	21.4
225.14639	19.9
225.17107	21.5
225.67355	5.6
239.18484	5.2
240.19397	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	223.1326
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	2.5
55.01853	4.8
55.05507	24.0
57.03434	8.2
57.07061	1.7
59.04986	3.1
67.05484	6.7
69.03415	10.2
69.07069	10.3
69.88506	8.3
69.88920	2.8
70.06564	3.5
71.04964	3.6
72.08135	5.3
79.05461	6.2
81.03402	6.1
81.07041	8.3
83.01315	3.0
83.04960	16.4
84.08137	16.3
85.02430	2.1
85.02899	37.0
85.06525	3.7
86.09695	11.2
87.23275	1.5
88.05557	1.4
88.95118	1.5
91.05467	13.5
93.07035	35.9
95.04951	16.6
95.08594	11.1
97.06502	3.4
97.10162	14.6
101.06006	1.6
105.07027	15.1
107.08593	17.5
109.06511	18.2
109.10160	4.7
110.07147	1.6
111.08069	19.9
113.05981	6.2
117.06985	6.9
119.08567	13.3
120.08105	2.0
121.06493	52.1
121.10136	13.5
123.08056	19.2
125.09595	5.6
129.10226	7.3
130.07729	2.7
131.08568	4.7
133.10103	17.4
133.95067	1.5
135.08041	18.4
135.11679	11.0
137.05905	2.1
137.09615	9.1
139.07521	11.9
139.11174	2.5
143.08492	1.7
144.09282	3.6
145.10106	14.2
146.02725	1.5
147.08003	4.2
149.02335	3.1
149.05977	2.0
149.09604	28.1
149.13243	4.8
151.07567	2.1
151.11101	3.7
153.09099	10.2
159.11678	19.4
161.09615	11.3
163.07507	1.8
163.11169	17.4
165.09120	10.7
167.06987	4.3
172.08830	3.8
175.11168	3.5
177.12750	22.4
179.10641	14.6
181.12247	3.4
187.11224	9.0
193.12262	2.5
195.13837	7.4
205.12216	33.5
215.97536	1.8
223.13261	100.0
224.13623	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	223.1326
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03931	2.3
55.01855	4.0
55.05504	19.4
57.03415	5.6
58.77803	1.6
59.04977	5.3
67.05481	7.1
69.03410	8.9
69.07060	10.7
70.35519	8.8
71.04951	5.5
79.05474	5.4
81.03386	6.6
81.07039	9.6
81.63623	1.6
83.01336	4.8
83.04955	16.6
84.08131	4.7
85.02425	2.7
85.02893	35.2
85.06509	6.3
86.09689	4.7
89.05995	2.5
91.05455	15.6
93.07026	36.2
95.04954	15.1
95.08585	12.1
97.06509	3.2
97.10146	16.2
103.05473	2.5
105.07013	11.3
107.04937	2.4
107.08578	17.4
109.06507	16.4
109.10158	4.2
111.08061	18.0
113.05975	4.2
115.05500	1.9
117.06973	5.4
119.08566	12.6
121.06490	68.6
121.10126	13.9
123.08044	15.2
125.06009	2.4
125.09583	5.5
129.06984	2.8
131.08536	7.1
133.06429	2.0
133.10133	15.3
135.08028	22.3
135.11676	14.1
137.05971	2.2
137.09581	11.4
139.07516	9.0
139.11055	2.7
143.08467	2.9
144.09283	5.1
145.10136	13.3
147.08044	4.1
149.05946	4.1
149.09605	33.3
149.13222	6.3
151.07503	2.2
151.11150	5.1
153.09132	11.7
159.11667	23.7
159.49501	1.9
161.09584	10.5
163.07561	2.2
163.11166	22.7
165.09074	17.6
167.06984	5.0
175.11183	3.8
177.12724	23.7
179.10652	15.9
181.08638	1.7
181.12184	2.4
183.62097	1.9
187.11131	9.0
193.12286	2.9
195.13690	5.2
205.12219	41.7
223.13252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93192	1.0
71.72243	1.1
71.72559	1.4
85.77773	1.1
94.20905	1.2
101.00859	18.9
119.01909	100.0
120.02004	4.3
124.02443	3.4
134.99919	1.0
137.02936	34.9
138.03035	1.3
142.03481	62.0
143.03648	3.6
160.04549	19.1
161.02930	15.8
165.05121	3.8
177.00952	13.6
178.01089	1.8
179.03987	35.3
181.49089	2.0
184.04509	4.2
187.99287	3.4
190.49518	3.9
190.99582	1.4
195.02083	1.0
199.50038	35.9
200.00111	15.2
200.50061	2.2
202.00337	3.1
202.05533	6.0
202.50449	1.8
208.50485	1.4
209.00652	1.4
211.00870	13.1
211.50929	4.5
214.95500	1.4
219.01990	7.5
220.02161	1.2
238.95544	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	225.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05499	1.9
56.05015	3.8
57.03425	3.2
57.77798	1.3
60.04504	9.0
61.02905	2.2
64.80881	1.8
67.05479	2.5
69.03397	3.6
69.07040	2.4
70.06575	14.5
70.33560	2.9
70.33943	2.9
72.08143	9.8
73.02896	7.1
74.06063	7.2
83.06063	1.6
84.04482	7.3
84.07639	2.4
84.08128	37.5
85.02912	7.6
85.03304	1.5
85.08469	2.5
86.06038	1.9
86.09689	11.6
91.52198	1.3
97.02866	5.2
101.00848	18.6
102.02235	3.9
106.04990	1.8
107.50452	1.7
110.07125	6.4
119.01903	100.0
120.01983	3.7
120.08087	3.7
122.07104	1.6
124.02380	4.1
127.03894	2.4
129.10225	12.9
130.08615	3.2
130.10571	1.9
131.01918	3.5
132.01994	1.8
133.01659	8.9
133.03365	2.0
136.07568	1.7
137.02930	35.3
142.03468	57.8
143.01891	3.2
143.03624	3.0
145.03389	2.2
145.04985	1.8
147.11234	3.2
151.02672	6.4
153.04042	1.9
154.03876	1.7
154.06715	1.5
155.01872	1.7
156.02060	2.7
156.03195	8.7
157.03400	1.9
160.04541	21.4
161.02933	27.8
162.03050	2.1
163.02661	2.4
166.12238	2.6
167.10681	2.1
173.02966	3.0
174.04349	5.3
175.02710	1.6
175.11786	2.0
179.02330	4.3
179.03984	50.6
184.02740	4.8
184.04633	6.0
185.02902	3.2
192.55598	5.9
193.05325	3.7
197.03146	2.9
202.03772	22.8
202.05637	8.8
203.03960	2.5
213.32465	1.8
215.04085	1.6
220.04848	6.9
221.03120	1.7
222.12517	1.6
225.09680	3.5
226.14308	8.8
246.85448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	Ser Leu
Peak:m/z	Relative Intensity
51.41576	0.5
60.04519	100.0
70.02948	1.0
70.06580	1.2
70.95232	1.4
72.08125	1.7
84.08125	1.4
86.09695	64.6
87.05583	3.2
116.07135	0.6
120.08090	1.2
128.10681	2.2
129.92126	0.6
132.10191	57.3
143.18446	0.5
145.06462	1.1
173.06020	0.6
173.12845	30.4
201.12285	4.9
203.14354	1.2
219.13380	16.7
219.17377	5.8
237.39444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41737	1.2
57.07069	1.7
58.94281	1.1
67.05489	1.6
70.01744	3.4
70.02183	3.9
72.66862	1.0
82.01443	1.1
93.04134	1.0
100.02482	6.1
101.00846	9.7
107.08597	1.7
118.03534	4.1
119.01906	100.0
120.02052	1.4
121.01649	4.3
127.00900	1.8
131.03691	1.2
133.10139	1.4
135.03185	2.1
137.02943	43.4
139.00887	3.6
139.02655	2.0
139.50966	2.2
142.03497	2.8
143.01900	1.7
147.03180	1.2
147.05058	1.2
148.01372	9.5
148.51491	3.2
149.04767	1.2
150.51659	5.4
151.01796	2.7
154.03421	1.2
154.39754	1.1
156.97502	2.1
159.52220	6.9
160.02255	2.0
161.02945	28.2
161.04311	1.8
163.02696	1.9
174.98563	1.3
175.02814	2.7
175.04482	1.6
177.00984	2.0
178.01164	1.3
179.00670	5.2
179.03989	67.5
186.50919	2.5
191.05853	1.4
191.20630	1.5
195.51453	8.5
196.01569	3.9
197.99216	3.8
198.04384	2.6
198.06024	2.1
202.05627	2.3
221.01759	21.2
221.04932	2.9
221.06999	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	222.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01396	0.3
70.85255	0.7
70.85654	0.7
75.07905	0.3
90.82271	0.3
92.82683	0.3
94.32226	0.4
101.00867	0.8
119.01907	2.6
120.95418	1.0
124.69440	0.3
137.02910	0.9
138.96344	5.0
142.31181	0.3
145.07066	0.3
150.29686	0.4
156.97458	75.8
157.97545	1.6
161.98071	0.4
162.73697	0.3
174.98514	100.0
175.98570	2.6
176.98973	0.5
179.99036	3.5
180.97380	1.6
192.99617	0.3
198.00131	2.5
198.98503	26.5
199.98650	0.3
202.60077	0.3
216.99565	68.7
217.99684	1.2
222.00056	1.1
240.01158	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	219.1011
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03928	0.5
57.03424	0.7
60.18523	0.4
65.78175	0.5
67.05484	1.3
69.48336	1.2
69.48746	3.0
81.07006	0.5
86.09671	1.0
91.05469	8.2
93.07076	0.5
98.21530	0.9
103.04873	0.4
103.05473	1.7
105.07030	1.2
108.45681	0.4
115.05421	7.7
116.06245	2.1
117.07001	2.6
119.08579	1.2
120.08052	1.0
122.13202	0.4
125.05983	0.5
128.06209	6.5
129.06987	31.1
130.07809	2.6
131.04910	5.4
131.08543	29.2
132.08023	0.6
133.10078	1.2
134.64493	0.4
137.05946	2.9
141.06972	28.0
143.04887	1.9
143.08516	2.1
144.05682	4.6
145.06453	5.7
146.07251	3.3
148.05223	1.0
151.07532	0.8
155.05995	0.6
157.06468	17.8
158.07253	17.7
159.04456	2.2
159.08034	21.3
159.11682	0.8
160.05185	3.8
160.07428	2.1
161.05930	0.7
161.09557	2.6
163.07471	1.9
168.05746	0.5
169.06438	11.7
170.07257	6.0
171.08009	1.4
173.05952	3.9
173.09601	0.8
173.13086	0.5
174.06740	62.7
175.07518	9.5
186.06732	15.9
187.07465	1.5
188.08287	3.5
189.09074	78.9
190.09439	1.6
191.07031	0.8
191.10641	6.2
201.09070	33.5
202.08676	0.9
203.14319	1.2
204.07709	0.5
219.10121	100.0
219.17293	3.4
220.10510	1.9
220.16919	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	219.1012
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.46117	0.6
51.02361	0.7
55.01854	0.7
55.05489	2.2
57.03421	1.4
57.07051	1.9
58.07391	0.7
60.82698	0.6
67.05492	3.4
68.34986	0.6
69.03420	1.4
69.07042	2.3
70.06573	3.1
70.45422	2.9
71.04970	1.3
71.06900	1.5
72.08118	1.0
72.15683	0.6
77.03931	1.1
79.05458	2.1
81.07047	4.8
83.04952	0.7
84.08125	1.8
85.02850	1.0
86.09700	1.0
88.07613	2.9
89.07942	1.3
91.05463	9.6
93.07034	4.4
95.04958	2.4
95.08595	3.9
96.39503	0.6
97.06483	1.1
99.04396	0.8
102.09163	1.1
103.05440	2.2
105.07013	7.8
106.08636	1.6
107.08544	3.0
109.06488	1.0
109.10132	2.7
115.05429	6.2
116.06219	2.1
117.06985	4.1
119.08558	6.5
120.08064	3.7
121.06490	1.0
121.10110	4.5
123.08014	1.2
123.11688	1.0
128.06250	5.3
129.06985	28.3
130.07753	2.5
131.04897	4.8
131.08553	31.9
133.06462	1.0
133.10103	4.3
135.11667	3.6
137.05937	2.7
137.09584	1.1
141.06969	24.5
142.07867	0.8
143.04901	1.4
143.08530	3.0
144.05695	4.2
145.06439	4.4
145.10101	11.3
146.07217	3.4
147.11656	2.0
148.05139	1.6
149.05922	1.0
151.07500	0.8
157.06464	15.2
157.10091	0.8
158.07256	15.7
159.02916	0.8
159.04366	2.6
159.08023	19.7
159.11658	7.5
160.05151	3.0
160.07553	1.6
161.05972	1.5
161.09602	4.1
161.13245	3.6
163.07535	1.8
163.11160	1.0
168.05649	1.0
169.06439	11.1
169.07738	1.2
170.07269	4.1
171.08020	1.6
173.05937	4.0
173.09557	1.1
173.13242	5.5
174.06741	52.7
175.07466	8.4
175.14757	1.7
177.09085	0.7
186.06732	14.6
187.07446	1.3
188.08249	3.3
189.09082	76.1
190.09476	1.2
190.96356	0.7
191.10664	7.1
191.14243	1.0
199.14735	0.7
201.09068	31.3
201.12755	2.0
201.16396	5.3
201.20378	1.6
202.08798	1.1
203.14302	7.5
209.10878	0.7
219.10129	100.0
219.13745	6.0
219.17395	40.4
219.21443	29.8
220.10449	1.3
220.16873	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	217.1545
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
50.84606	0.3
53.03931	0.4
55.01867	0.5
55.05504	14.8
56.05030	1.7
57.03437	0.2
57.05807	0.8
58.99829	0.2
59.04998	0.7
60.04519	2.6
60.05648	0.3
67.05508	0.4
69.03425	0.6
69.07066	0.3
70.00201	0.3
70.00716	0.5
70.01062	1.4
70.02942	0.3
70.06583	4.1
72.08143	100.0
73.02899	0.4
73.06544	0.3
73.08459	0.4
74.06058	1.3
76.03989	0.3
83.04969	8.3
83.08593	0.4
84.04504	1.4
84.08128	7.2
85.02884	0.3
85.06527	0.7
85.08457	0.4
86.09690	3.4
87.04469	1.0
87.05599	0.2
87.10027	0.4
88.03962	0.6
89.02383	0.6
89.06021	2.6
93.03374	0.3
98.20845	0.5
99.04442	0.7
101.00874	0.6
101.06001	4.0
102.05524	0.3
103.02464	0.5
107.04939	0.4
110.07162	0.8
111.04423	14.7
112.08678	0.3
113.05975	1.3
116.07084	0.8
118.08617	2.7
119.01909	4.3
119.04937	0.3
120.08086	0.5
121.03474	0.3
127.02425	0.3
127.07546	1.8
129.05457	3.8
129.10219	4.2
130.08640	1.1
130.10518	0.3
131.01857	0.5
132.95805	0.8
137.02971	1.3
137.05890	0.3
144.95775	0.3
145.03436	3.3
146.03580	0.2
147.11266	1.0
150.96873	1.3
155.07002	16.9
156.07588	0.6
159.25288	0.3
162.96866	0.6
163.04541	1.6
171.03166	0.3
171.14944	1.8
173.03000	0.3
173.08073	14.8
174.98495	0.4
175.11839	0.8
186.96864	0.8
189.02443	1.5
191.03954	0.4
197.10254	0.4
199.07994	0.4
199.09686	1.4
199.14375	0.3
207.03514	1.0
217.01785	0.4
217.05038	0.3
217.10690	13.3
217.15366	5.1
230.14905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88094	0.2
57.07063	4.4
58.06575	0.4
62.06053	0.5
64.95540	0.3
70.06206	0.5
70.06581	9.6
71.08617	3.4
78.50755	0.2
88.07615	13.9
92.29491	0.3
102.09163	3.4
106.08652	7.2
108.06599	0.3
140.94684	0.3
144.58913	0.3
174.18547	0.5
198.03339	0.3
200.20067	5.8
202.14389	0.3
218.21115	100.0
219.21416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25542	27.0
61.61341	29.4
71.02358	99.5
71.45309	28.2
84.08133	31.4
155.15222	25.1
164.50134	28.7
219.02669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36511	2.3
55.05494	7.6
56.04998	2.6
60.04519	25.5
61.02904	6.3
66.29006	2.1
69.03417	7.0
69.07049	7.1
71.44362	4.6
72.08144	62.1
73.02903	5.2
74.06068	19.0
84.04478	7.0
84.08114	8.0
85.02877	15.8
85.08471	3.8
86.09696	100.0
97.02898	6.3
100.02473	3.1
101.00863	3.1
109.02858	2.7
113.02361	3.6
118.08612	2.7
119.01910	10.0
120.06558	3.5
121.01624	4.8
124.09536	2.0
127.02312	2.7
127.03889	4.3
130.08578	2.8
130.22993	2.1
131.01881	2.7
132.10184	13.9
132.95799	5.2
133.03459	4.0
145.04953	3.8
147.03119	3.8
157.03455	2.7
161.02933	6.5
165.05957	2.4
172.99167	2.6
173.02911	6.7
173.12878	9.8
174.96848	4.5
185.02837	4.1
186.96893	10.2
187.00983	3.1
191.02223	4.7
196.01048	2.9
196.04530	3.9
201.12305	5.5
203.14336	6.7
214.01933	3.0
219.02620	13.4
219.07124	6.2
219.13324	9.5
219.17403	27.7
231.09038	2.7
234.98985	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	219.101
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.02368	0.6
55.01849	0.6
55.05495	1.1
57.03421	1.3
63.47813	0.6
67.05484	2.1
69.03425	0.8
69.07049	1.6
69.51591	2.7
69.52015	3.6
70.06564	1.0
71.04962	1.1
72.08144	2.5
74.48990	0.6
77.87992	0.5
79.05473	1.0
79.50293	0.6
81.07027	2.6
83.04928	1.0
84.08136	1.2
85.02912	0.7
86.09673	0.8
91.05464	9.1
93.07012	1.8
95.04955	0.9
95.08607	1.9
98.20763	0.9
103.05445	2.8
103.08772	0.7
103.09540	0.6
104.01140	0.7
105.07025	6.1
107.07342	0.7
107.08567	1.8
109.10123	0.8
115.05430	7.9
116.06202	2.9
117.07030	3.1
119.08558	3.7
120.08105	8.7
121.10125	2.7
123.11687	0.6
125.09617	1.3
128.06195	6.3
129.06989	28.6
130.04175	0.7
130.07741	2.4
131.04890	5.4
131.08553	31.7
133.10104	6.6
135.08083	0.7
135.11636	1.2
137.06001	3.1
138.62637	0.6
141.06976	29.2
142.07603	0.9
143.04874	2.7
143.08543	2.4
144.05692	4.1
144.09297	0.7
145.06479	6.9
145.10103	7.1
146.07243	3.9
147.11607	0.8
148.05174	1.5
157.06473	17.1
158.07256	14.7
159.04433	3.0
159.08041	22.2
159.11610	3.5
160.05231	4.6
160.07510	3.1
161.05940	0.9
161.09567	3.1
161.13197	1.6
162.06772	0.6
163.07468	1.7
168.05663	0.9
169.06454	12.5
169.07729	0.8
170.07283	5.6
171.07956	1.1
173.05968	3.2
173.09622	1.2
173.13223	4.4
174.06746	60.6
175.07513	9.3
177.05333	0.7
183.07974	1.0
186.06752	13.3
187.07509	1.6
188.08286	3.1
189.09087	73.9
191.06921	0.9
191.10661	6.8
201.09079	31.0
201.16336	2.7
202.08572	2.3
203.14282	4.7
219.10133	100.0
219.13722	3.5
219.17377	22.3
220.10442	2.3
220.16895	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	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.65556	1.4
53.03935	2.6
55.01862	3.7
55.05502	20.8
57.03423	11.1
57.07058	5.3
58.06576	2.1
64.96388	1.5
65.03921	2.3
67.05132	3.6
67.05492	72.3
68.64337	1.5
69.03387	2.6
69.07054	27.9
70.06570	5.3
71.04972	6.9
72.93768	2.1
79.05478	36.7
81.03381	3.1
81.07040	100.0
83.04955	8.3
83.08609	25.0
84.04453	2.0
84.08138	7.2
85.06512	5.5
86.09683	2.6
88.07591	6.0
90.90387	1.6
90.94814	4.0
91.05459	23.3
93.07027	60.0
95.04957	9.8
95.08595	27.9
97.06522	16.2
98.20678	3.0
99.04436	3.3
99.08073	4.6
100.07597	4.5
105.07004	9.7
107.04941	11.5
107.08581	36.1
109.06496	3.4
109.10121	4.5
110.03551	1.8
110.07158	7.1
111.08051	8.6
113.06007	1.5
117.06992	8.4
119.08554	4.8
121.06469	2.4
121.10108	14.6
123.04419	2.2
123.08022	1.9
123.11681	5.1
125.09645	1.6
127.03899	4.3
129.06937	3.0
131.08546	13.1
133.10081	18.3
135.04414	2.4
135.08032	3.2
135.11681	17.1
139.07527	2.0
139.11130	1.6
140.04642	11.7
141.07422	1.7
142.07744	3.8
143.08540	4.5
145.10083	4.1
148.97290	3.1
149.09541	1.6
149.13232	43.0
149.94034	3.1
151.11125	1.8
155.07024	8.2
157.10141	8.8
159.11662	23.0
163.03874	6.6
166.28928	1.6
167.06955	4.3
167.08878	5.2
167.14270	2.7
167.97180	2.6
171.11652	7.4
172.97745	2.1
177.12758	7.7
177.16341	3.6
184.09706	2.6
185.09978	16.8
185.13229	1.8
190.98634	2.4
195.06461	23.3
195.10086	2.4
195.13756	16.3
206.36362	1.6
213.07303	3.3
213.09380	19.8
213.12756	6.9
213.16438	14.7
230.21890	3.1
230.24380	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	213.1481
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.89690	1.6
51.99882	1.7
53.03941	2.6
55.01862	3.1
55.05264	1.7
55.05500	18.8
57.03433	10.9
57.07063	3.9
64.14590	1.6
67.05128	3.5
67.05492	71.5
69.03365	1.9
69.06718	2.4
69.07059	25.6
70.06568	6.2
71.04983	8.3
72.08157	1.9
78.52930	1.4
79.05482	38.0
81.03388	2.3
81.07040	100.0
83.04975	7.8
83.08601	19.7
84.08112	2.3
84.21636	1.7
85.06519	7.2
88.07607	5.7
90.90338	1.6
91.05462	22.8
93.07027	61.3
95.04946	7.3
95.08589	24.1
97.06512	14.5
97.10177	2.0
99.08065	4.4
103.94524	1.5
105.07023	9.3
107.04934	6.3
107.08569	35.1
109.06481	4.3
109.10104	4.0
110.07162	3.9
111.08044	9.9
117.07005	11.0
119.08550	3.5
121.10122	17.4
123.11678	5.1
131.08557	9.6
133.10112	16.2
134.61339	1.8
135.08008	2.9
135.11679	16.5
136.21216	1.6
138.68942	1.5
140.04721	7.9
140.06985	1.7
141.07350	2.3
143.08557	2.4
149.13234	45.1
149.93964	3.2
151.03883	1.9
151.11211	1.8
155.06985	5.8
157.10123	2.4
159.11656	21.6
163.02657	1.8
163.03886	7.0
167.08873	6.3
175.11714	1.6
177.12732	10.0
177.86421	1.5
185.09978	17.9
185.71436	1.6
195.06476	18.2
195.13773	10.6
197.26114	1.7
213.09396	14.6
213.16290	8.5
213.18300	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	213.1119
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03931	4.0
55.01856	3.7
55.05503	20.0
56.96546	2.7
57.03418	2.7
57.07075	1.4
59.04986	0.9
64.93171	0.6
65.03922	1.9
67.05231	0.7
67.05494	7.2
68.66032	0.8
69.03414	4.2
69.07059	4.1
70.06200	1.2
70.06581	16.9
71.04969	1.4
71.60406	1.4
72.08128	5.5
73.02885	0.9
79.05483	31.1
81.03409	5.1
81.06586	1.7
81.07042	25.8
82.16266	0.7
83.04961	1.0
84.04462	0.9
84.08141	4.1
85.06529	0.9
85.08510	0.7
86.09693	11.4
88.07606	1.4
91.05466	31.5
93.03389	0.8
93.07028	29.5
95.04948	12.0
95.08601	8.4
97.02863	2.2
97.06517	9.1
99.04453	2.4
103.05457	1.3
105.03432	0.8
105.04509	0.8
105.07014	14.1
107.04939	33.1
107.08577	15.5
109.02859	0.9
109.06496	7.1
109.10153	4.4
110.06059	0.8
110.07155	11.6
111.04430	2.3
111.08067	1.9
115.03868	1.0
116.06235	1.1
116.07037	1.8
116.24239	0.7
119.00183	1.0
119.04926	24.8
119.08544	2.4
120.05700	2.5
120.08047	1.0
121.02864	1.5
121.06496	6.9
121.10126	43.9
123.04404	20.8
123.08046	15.4
123.11683	6.9
125.02373	3.5
125.05979	27.3
125.09586	1.0
127.03905	4.1
128.98607	1.0
129.06984	1.4
129.10237	1.5
130.96353	0.7
131.08549	15.1
133.07513	1.4
133.10126	3.5
134.07108	0.8
135.04425	7.9
135.08011	5.4
136.07530	1.3
137.06001	3.7
139.03893	2.2
139.07480	1.2
139.11159	7.0
140.04662	31.5
141.05460	15.8
141.07104	0.8
143.11771	1.2
147.08041	1.1
148.97356	1.8
149.09596	100.0
150.09912	1.7
151.03906	1.8
151.11169	6.4
152.06035	0.8
153.05441	11.5
153.08977	3.7
155.07014	22.9
156.07620	1.4
159.08034	2.4
163.03885	19.3
165.06889	0.9
167.03317	0.8
167.07013	11.2
167.08661	2.5
167.10645	15.2
173.08102	3.0
177.09084	41.6
178.04898	1.4
185.09973	3.9
185.16461	1.3
195.06490	9.3
195.10132	39.1
208.99748	1.4
213.07352	4.6
213.09206	9.2
213.11234	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	213.0755
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
51.02374	0.5
53.03939	1.6
55.01855	0.6
55.05505	1.0
55.89009	0.5
56.96550	0.6
63.96758	0.4
65.03930	1.7
66.93675	0.4
67.05487	0.6
70.06585	1.9
70.97523	0.8
70.97886	0.9
72.08147	3.2
73.56586	0.4
77.03925	0.6
78.04704	1.0
79.05479	7.4
81.07066	0.5
84.08118	0.7
86.09689	5.8
89.03891	1.8
91.05466	2.8
93.03411	0.5
93.07037	0.7
95.04960	8.8
97.02860	0.8
105.03345	0.7
105.04555	0.5
105.07003	0.6
106.04158	0.8
107.04939	62.9
107.08571	1.4
110.03660	1.2
110.07156	0.8
119.04889	2.2
119.08546	0.6
120.02068	0.6
120.05677	0.6
120.08173	0.5
121.10107	0.9
123.04411	11.6
124.05178	1.3
125.02325	4.8
131.08563	0.7
135.04401	16.7
137.05984	0.8
139.03937	0.6
140.04660	100.0
141.04948	1.2
145.03949	3.6
149.09554	1.0
151.03880	0.7
152.04678	1.0
155.07008	67.4
156.07336	1.2
163.03880	55.5
164.04213	0.9
165.09215	0.6
167.07018	21.4
173.08087	7.1
177.09094	1.3
185.09874	0.6
185.16428	0.5
195.06506	9.3
195.10226	1.0
201.82028	0.5
213.05498	0.9
213.07536	16.4
213.09166	0.8
213.11148	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	F 11334A1
Peak:m/z	Relative Intensity
50.66075	0.5
51.02365	0.9
51.32710	0.5
53.03937	3.5
55.01853	3.4
55.05261	0.9
55.05504	16.0
56.96549	2.3
57.03409	1.8
57.07059	0.9
59.40130	0.6
60.05622	0.8
63.75875	0.5
65.03918	1.8
67.05500	4.2
69.03428	3.1
69.07043	2.6
69.32136	0.5
69.82312	0.9
69.82720	3.3
70.06582	12.2
71.04985	1.6
72.08145	3.5
77.03896	1.2
78.04689	1.5
79.05484	30.4
81.03403	3.8
81.06570	1.1
81.07046	20.5
83.04963	1.8
84.04456	0.7
84.08131	4.7
85.06540	0.7
85.08436	0.6
86.09697	4.5
88.07616	1.1
89.03903	1.5
91.05472	19.8
93.03388	0.8
93.07032	18.8
95.04959	17.9
95.08594	4.3
97.02882	1.7
97.06532	6.7
98.21555	1.0
99.04427	1.7
103.05466	1.0
105.03371	1.0
105.04465	0.9
105.06378	0.8
105.07027	9.6
106.04157	1.0
107.04944	73.2
107.08582	10.7
109.02896	0.7
109.06504	8.1
109.10147	2.6
110.07158	5.2
111.04416	1.7
115.03983	0.8
116.06223	0.9
116.07053	1.3
117.39365	0.6
119.00143	0.6
119.04099	1.2
119.04932	15.3
119.08562	1.8
120.05678	1.0
120.08118	1.0
121.02869	1.1
121.06498	5.0
121.10130	28.8
123.04415	25.9
123.05315	1.4
123.08053	8.1
123.11681	3.9
124.05239	1.1
125.02352	7.4
125.05983	17.3
127.03890	2.2
127.08623	0.6
129.06992	1.3
129.10201	1.6
130.08624	1.0
131.08548	12.2
133.02852	0.7
133.06487	0.7
133.10091	3.0
135.04407	24.0
135.08012	5.0
136.07550	1.2
137.05981	3.0
139.03900	2.2
139.11169	3.3
140.04666	100.0
141.05457	12.3
141.07237	0.6
143.03371	0.6
143.70271	0.6
145.03934	3.3
145.06454	0.6
146.99672	0.9
148.97383	1.0
149.09602	61.8
150.09946	1.2
151.03880	2.0
151.11157	3.8
152.04680	2.0
152.06281	0.8
153.05455	31.7
153.09090	1.3
155.07013	74.7
156.07576	2.2
159.08005	1.4
163.03889	62.7
165.00632	0.8
167.07031	23.5
167.08580	1.8
167.10664	9.2
173.08067	8.9
174.13628	0.6
177.09090	36.1
185.09978	3.1
190.98538	0.8
195.06516	12.8
195.10139	37.9
208.99594	1.5
213.05482	0.8
213.07549	17.5
213.09273	5.1
213.11230	14.3
213.15976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
51.02380	0.4
53.03933	2.7
53.70166	0.4
55.01856	1.0
55.05506	1.6
56.96576	0.7
59.35596	0.4
65.03933	1.5
67.05497	1.6
70.06589	3.6
71.68043	0.7
72.08149	1.4
76.51069	0.4
77.03914	0.8
78.04701	1.5
79.05479	10.3
81.03426	0.6
81.07048	3.2
84.08128	1.7
86.09704	2.1
89.03909	1.8
91.05459	5.8
93.03397	1.2
93.07022	2.7
95.04963	8.5
95.08567	0.5
97.02870	0.9
97.06501	1.1
105.03359	0.5
105.04505	0.7
105.07018	1.8
106.04173	1.0
106.68904	0.5
107.04942	64.9
107.08578	2.1
108.05291	0.7
109.06517	1.2
110.03648	0.9
110.07171	1.5
111.04403	0.6
116.07074	0.5
119.04939	4.3
120.02065	0.4
121.06457	0.5
121.10132	4.9
123.04414	13.3
123.08031	1.5
123.11691	0.9
124.05222	0.9
125.02353	5.8
125.05974	2.8
127.03896	0.6
129.10182	0.5
131.08572	1.5
133.02827	0.7
135.04401	18.2
137.05933	0.7
139.03894	1.0
139.11125	0.6
140.04665	100.0
141.05341	1.6
145.03975	3.6
148.97395	0.6
149.09613	8.3
151.03893	1.3
151.11168	0.5
152.04662	1.8
153.05455	2.5
153.09134	0.5
155.07011	68.6
156.07381	0.8
160.72174	0.5
163.03889	57.0
164.04239	0.7
167.07024	20.9
167.10675	1.4
173.08092	7.5
177.09106	4.3
185.09985	1.0
195.06490	9.2
195.08270	0.9
195.10095	3.9
213.07533	16.9
213.09146	1.2
213.11197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0632
Annotation	TRIM
Peak:m/z	Relative Intensity
52.39574	11.8
69.87958	24.5
69.88359	38.3
89.71469	10.6
176.47040	11.4
194.27654	9.1
213.06316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12511	63.0
71.78257	14.7
98.20799	20.1
112.15137	13.5
184.69412	14.9
213.06284	100.0
232.52570	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0754
Annotation	3,4,5-TRIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03929	2.2
55.01858	0.5
65.03915	0.9
65.53584	0.5
67.05474	0.7
68.75805	0.4
70.06567	1.3
71.07120	1.1
71.07471	1.1
71.19979	0.6
72.08141	2.8
72.27673	0.5
78.04682	1.1
79.05479	7.2
82.26548	0.6
86.09681	3.8
89.03902	1.6
91.05447	0.7
95.04948	8.1
106.04147	0.7
107.04935	62.7
108.05292	0.8
110.07154	1.0
119.04920	1.1
120.02055	0.9
122.03625	0.5
123.04409	12.3
124.05196	1.6
125.02332	5.2
135.04396	19.1
140.04657	100.0
141.05008	1.2
145.03943	3.3
151.03900	0.7
152.04637	1.6
155.07002	78.9
156.07350	1.0
163.03876	65.5
164.04239	1.3
167.07004	23.9
173.08052	8.0
195.06502	11.0
213.07550	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.32634	1.5
55.01858	3.7
55.05500	12.4
57.03420	1.9
57.07070	7.0
65.03926	2.2
66.31415	1.5
67.05489	7.7
69.03416	79.7
69.07061	6.6
69.84508	5.0
69.84943	4.9
70.06572	3.4
70.43279	1.4
71.04969	2.3
72.48164	1.4
74.57795	1.4
79.05478	8.7
81.03393	2.0
81.07038	14.6
83.04966	16.0
83.08599	12.8
84.04488	2.1
84.08114	6.0
85.06548	8.3
86.09679	4.9
91.05488	10.1
93.03379	1.9
93.07027	12.7
95.04954	8.3
95.08594	11.4
97.06512	4.1
103.05390	1.6
105.07008	11.6
106.04144	3.5
107.04924	2.0
107.08572	40.9
109.06487	18.2
109.10133	8.6
110.07151	6.5
111.08057	9.3
117.07046	1.7
119.04893	2.0
119.08560	6.0
121.06464	7.8
121.10111	16.4
123.08053	7.8
123.11698	12.2
125.05997	1.6
125.09610	61.9
131.08569	10.2
133.10109	12.1
135.08018	19.2
135.11678	7.9
137.09552	2.1
143.08553	2.4
145.10120	6.8
147.11630	3.8
149.05962	5.3
149.09619	12.6
149.13223	11.6
151.11137	8.7
153.09070	15.6
158.10878	4.8
161.09630	2.1
163.11133	4.9
163.14810	5.4
163.97697	1.6
165.12659	7.5
167.14250	10.3
172.39389	1.6
173.13231	26.6
176.12015	2.0
177.05481	4.5
181.08409	2.2
191.07127	1.3
191.14278	94.6
194.00291	3.1
209.02623	3.9
209.07954	3.3
209.15331	100.0
210.15714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	1.6
55.01853	1.1
55.05495	8.4
56.96556	6.7
57.03419	4.7
57.07051	3.1
67.05498	9.0
69.03413	5.7
69.07060	17.8
69.33972	1.4
69.34296	12.9
70.06595	9.9
71.04985	51.8
72.08133	3.1
79.05475	6.0
80.05006	2.0
81.03383	3.4
81.07046	16.9
82.06559	1.4
83.04949	3.1
83.08620	5.3
84.04477	2.8
84.08128	11.8
85.02862	2.1
85.06544	5.9
85.06950	1.1
85.79270	1.2
86.09695	5.5
89.43801	1.3
91.05465	7.1
93.07040	17.7
94.06548	1.2
95.04959	8.3
95.07335	2.2
95.08599	28.9
96.08102	1.8
97.06509	8.3
97.10119	1.9
98.06026	2.5
99.04443	100.0
99.08060	4.9
103.05477	1.8
105.06997	6.5
107.08574	21.3
108.04470	1.6
109.06496	5.8
109.09455	1.9
109.10140	18.5
110.07126	2.2
111.08066	2.9
111.11701	1.3
112.07618	2.2
112.08654	1.2
113.05971	1.5
113.09631	13.2
115.07537	7.2
115.44416	1.4
116.00189	1.5
119.08562	13.5
120.08085	8.4
121.06483	1.5
121.10130	7.7
123.04417	2.9
123.08050	4.6
123.11694	12.3
125.09616	11.2
129.10208	3.6
133.10115	15.3
135.11676	42.8
136.07545	1.7
136.12082	1.5
137.06003	1.4
137.09608	4.7
139.11137	4.1
140.07043	12.5
141.09106	1.5
141.12717	4.7
142.08589	2.2
147.11620	3.8
148.96179	1.2
149.05971	1.8
149.13229	4.0
151.03951	1.2
151.11174	3.4
151.14792	8.0
153.09064	2.1
153.12723	3.9
155.08516	4.8
155.10675	1.8
159.78592	1.2
163.97742	1.7
165.06972	1.8
165.12697	1.5
165.16324	1.8
166.08626	17.1
167.07062	2.8
167.08490	1.5
169.10130	5.6
175.11206	1.8
175.14825	15.1
181.10075	2.5
182.10846	1.4
182.98767	1.4
183.08015	2.9
183.11639	2.0
184.09660	49.8
193.12216	3.0
193.15860	11.7
196.08789	2.8
196.12523	2.2
205.98770	2.0
211.07504	2.2
211.11317	8.5
211.14778	11.4
211.16888	44.4
211.18753	1.7
212.09145	39.1
222.33904	1.0
228.48048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	2.3
53.80148	1.0
55.01638	0.9
55.01864	9.3
55.05499	11.2
57.03415	2.7
57.07067	6.9
59.04972	2.1
61.31413	1.0
65.03930	2.6
67.05491	21.2
69.03418	32.6
69.07053	11.4
69.66051	5.3
70.06554	4.5
71.04974	11.9
79.05476	25.9
79.23234	0.9
81.03391	2.6
81.06602	2.2
81.07042	31.1
81.07523	1.6
81.40121	0.9
83.04967	11.7
83.08613	5.0
84.08146	7.1
85.02879	1.7
85.06540	9.1
86.09674	2.2
91.05460	23.2
93.03357	3.7
93.07027	53.8
95.04948	20.8
95.08587	18.3
97.06008	1.0
97.06516	12.1
98.20814	1.9
99.04436	9.5
99.08067	2.2
101.05998	1.6
103.05431	4.7
105.04500	1.4
105.06305	1.7
105.07014	41.6
106.04147	7.6
107.04952	4.9
107.08575	69.8
109.06498	100.0
109.09380	1.3
109.10131	19.6
111.04396	1.7
111.08053	4.7
113.05956	2.9
115.03926	1.2
115.67563	1.1
117.07009	10.4
119.06049	1.0
119.08563	21.2
120.96854	1.2
121.06483	33.7
121.10120	43.7
123.08040	14.3
123.11676	15.5
125.05984	5.1
125.09623	6.4
127.07501	1.8
129.06973	1.9
130.07722	3.4
131.04884	2.5
131.08539	11.6
133.10114	13.4
134.03580	1.2
135.08034	55.7
135.11656	21.9
137.05925	2.5
137.09628	5.2
139.07532	4.8
139.11197	5.2
143.08473	2.3
145.02808	2.2
145.10097	42.3
147.11659	6.6
148.08749	1.1
149.05952	14.7
149.09592	19.1
149.13214	7.8
150.10327	1.4
151.07510	1.3
151.11143	15.5
153.05457	1.7
153.09090	7.4
155.08400	1.2
158.10861	2.3
163.07506	1.9
163.11156	83.6
163.14743	7.2
163.97705	1.0
164.11501	2.3
165.12743	2.1
167.06891	1.5
167.10587	2.9
167.14275	1.6
173.09622	8.0
173.13225	9.5
177.05446	8.8
181.08624	2.2
181.12161	5.1
185.97408	1.1
191.06897	2.5
191.10632	31.9
191.14268	34.8
209.04343	1.9
209.08089	5.7
209.09804	1.6
209.11636	18.4
209.13625	2.0
209.15303	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03920	1.9
55.01864	8.7
55.05497	8.9
57.07056	3.7
67.05497	9.4
67.13411	1.4
69.03419	10.3
69.07064	7.0
70.06583	7.0
71.04973	4.3
78.04691	2.5
78.11604	1.3
78.43191	1.4
79.05490	11.7
81.03420	1.4
81.07044	18.6
83.04965	5.5
83.08606	2.5
84.08127	7.5
85.06535	1.8
87.82082	1.6
91.05473	22.1
93.03386	4.1
93.07026	16.5
94.06538	1.8
95.04946	10.7
95.08584	8.8
97.06499	6.4
98.20806	4.3
99.04452	7.3
103.05445	5.6
105.07005	15.3
106.04147	13.4
107.04932	3.3
107.08572	31.8
109.06496	31.2
109.10123	13.8
111.08054	4.5
112.08715	2.1
115.05437	5.0
117.03338	1.6
117.06987	6.1
117.95918	1.7
119.08559	9.6
121.06473	19.1
121.10122	25.6
122.07278	10.2
123.08049	7.1
123.11634	1.8
125.05944	3.2
125.09622	3.7
131.04895	3.0
131.08531	3.8
133.10110	100.0
134.03603	3.9
135.04442	1.9
135.08032	30.2
135.11641	5.3
137.05965	2.2
137.09596	88.0
139.11119	2.2
145.10078	5.0
147.11658	3.4
149.05963	19.4
149.09607	6.2
149.13211	16.8
151.11159	6.7
153.05435	2.2
153.09077	8.7
158.10916	2.7
160.87363	1.6
163.11151	5.8
163.14786	4.3
163.97704	2.8
165.12712	5.8
167.14291	1.8
173.09711	1.6
173.13235	11.2
177.05443	14.6
181.08551	6.6
185.97382	1.5
186.99361	1.7
191.07018	3.9
191.10667	3.5
191.14278	19.8
209.04388	2.3
209.07977	7.1
209.09856	1.8
209.11671	3.9
209.13376	2.7
209.15320	19.7
209.65157	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	209.153
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.02389	0.5
53.03945	1.0
55.01854	1.4
55.05508	3.3
57.03422	1.0
57.07060	1.8
59.04989	1.6
65.03912	0.7
67.05491	4.5
69.03418	10.3
69.07047	4.5
70.06602	0.7
70.87662	0.8
70.88007	0.7
71.04993	1.2
73.75050	0.5
74.34999	0.5
75.04475	0.5
76.37706	0.4
76.81507	0.4
79.05475	3.6
81.03403	10.0
81.07040	8.8
83.04956	4.8
83.08602	1.7
84.08118	1.1
85.06519	1.1
86.92374	0.4
91.05466	3.4
93.03391	0.7
93.07023	6.0
95.04955	13.4
95.08596	9.8
97.06511	3.0
97.10099	0.5
99.04436	1.3
99.08064	1.4
103.05402	1.1
105.07007	6.2
106.04163	2.6
107.08575	11.7
109.06500	17.6
109.10144	3.4
110.07275	0.6
111.04501	0.5
111.08021	1.1
117.06960	0.7
117.15542	0.6
119.08568	6.1
121.06485	3.7
121.10113	13.2
121.10937	1.0
123.07196	1.0
123.08046	12.2
123.11676	7.3
125.06014	1.0
125.09608	1.2
131.08525	1.8
133.10091	3.9
134.87651	0.5
135.08025	3.2
135.11671	2.0
137.09589	3.3
137.13231	2.3
145.10075	1.3
147.11665	4.1
148.05128	0.6
149.05965	3.4
149.09602	11.4
149.13235	8.8
151.11194	6.0
153.09097	5.0
163.11157	1.0
163.14790	1.3
165.12724	100.0
166.13033	1.6
167.14316	0.7
173.13272	2.4
177.05426	1.9
181.08569	1.1
191.14284	8.6
209.08025	0.9
209.15327	58.5
210.15639	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.93482	1.1
53.03933	2.5
55.01869	3.1
55.05507	16.7
57.07058	4.3
63.23256	1.0
63.69037	1.2
63.74268	1.2
65.03926	2.6
67.05495	7.3
69.03434	4.6
69.07060	3.5
69.51276	2.4
69.51601	11.0
70.06575	3.9
71.04987	5.2
74.98301	1.0
75.58692	1.0
79.05490	7.0
81.03396	1.4
81.07050	14.2
82.06571	5.1
83.04974	4.2
83.08609	9.9
84.08133	4.6
85.06528	2.2
86.09687	1.8
91.05479	10.8
93.03411	2.2
93.07038	8.1
95.04977	7.6
95.08600	7.6
97.06518	1.9
99.04488	1.2
99.08103	1.9
100.07623	2.7
100.11253	14.5
103.05456	1.3
105.07025	9.0
106.04166	4.5
107.04949	2.0
107.08578	25.0
109.06506	100.0
109.10134	17.7
110.06046	2.8
111.04436	4.1
111.08084	2.3
115.05450	2.4
117.07007	4.5
119.08553	5.3
121.06461	7.0
121.10137	15.3
122.07253	5.4
123.08066	9.6
123.11671	1.1
125.05983	1.4
125.09589	2.1
126.09161	1.6
127.08635	1.1
128.07036	2.5
131.08559	7.9
133.10118	68.2
134.10487	1.5
135.08041	36.8
135.11703	2.0
137.09601	64.3
139.08638	2.1
139.11151	1.1
143.08531	1.7
145.10138	4.2
147.11647	2.8
149.05951	7.5
149.09613	4.6
149.13231	10.0
150.10431	1.2
151.07578	1.3
151.11176	5.2
153.09029	6.5
158.10811	1.4
163.11153	2.9
163.14815	1.9
165.12755	4.3
173.13255	12.6
177.05499	4.7
182.15410	14.4
191.06985	1.6
191.14291	26.4
209.07930	2.0
209.11511	1.2
209.15379	10.0
209.16862	2.8
209.65123	1.1
210.14835	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03908	0.7
55.01870	3.0
55.05499	4.0
57.03421	1.2
57.07062	4.9
59.04986	1.0
59.59293	0.5
65.03921	0.9
67.05495	5.1
69.03408	2.3
69.07051	3.3
69.44715	5.4
70.06571	2.6
71.04973	4.1
71.51740	0.6
75.04466	0.5
79.05486	4.6
81.07040	6.9
82.27210	0.6
83.04956	1.8
83.08601	2.3
84.08117	4.0
85.06529	1.9
91.05452	7.1
93.03384	1.7
93.07030	7.5
95.04954	10.2
95.08595	6.7
95.31753	0.5
97.06522	2.4
99.04462	1.2
99.08062	1.1
103.05431	2.6
104.26289	0.5
105.07023	5.6
106.04175	3.9
106.06521	1.2
107.04942	1.1
107.08569	11.8
109.06500	100.0
109.10133	14.1
110.06834	0.8
111.04402	0.7
111.08060	2.7
113.09641	0.7
115.05392	0.7
117.07018	2.0
119.04901	0.8
119.08590	3.4
121.06503	6.9
121.10133	7.0
122.07225	0.7
123.04388	0.6
123.08055	8.8
123.11697	1.2
125.05995	1.4
125.09611	1.9
129.06995	0.7
131.04848	0.6
131.08534	6.8
133.06467	0.6
133.10114	9.8
134.03574	0.8
135.08035	29.9
135.11671	1.8
136.05302	0.6
137.05991	0.7
137.09602	8.0
139.11165	1.0
145.02934	0.8
145.10120	2.9
147.08078	0.7
147.11702	1.9
148.05138	0.9
149.05951	6.1
149.09566	4.4
149.13263	4.4
150.10368	1.0
151.11163	2.5
153.05490	0.7
153.09079	7.5
158.10948	1.2
163.07536	1.8
163.11189	2.5
163.14796	1.9
165.07103	0.9
165.12808	0.9
167.14339	1.1
173.13229	9.5
174.13588	0.9
175.11861	0.6
176.11891	0.9
177.05450	3.6
181.06606	0.5
181.08498	0.8
189.38960	0.6
191.07047	4.5
191.10678	0.8
191.14288	24.5
209.04391	0.8
209.07970	2.6
209.09825	0.8
209.11702	1.0
209.13409	0.6
209.15327	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	209.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
53.68698	1.8
55.01855	5.1
55.05486	7.2
57.07034	2.8
60.21756	1.6
64.89944	1.6
65.03924	2.2
67.05502	9.0
69.03421	8.1
69.07043	7.7
69.76541	3.4
69.76952	8.3
70.06568	3.2
71.04977	3.7
74.16158	1.6
79.05476	11.1
81.07040	19.5
83.04955	5.0
83.08591	4.6
84.08121	5.9
86.29731	1.8
91.05474	15.8
91.83907	1.6
93.03378	3.0
93.07043	11.3
95.04942	12.8
95.08578	9.7
97.06530	8.4
98.21463	3.2
103.05427	3.3
105.07029	13.1
106.04138	6.1
107.07896	1.9
107.08578	31.3
109.06503	44.0
109.10139	14.8
111.08071	2.6
113.41021	2.0
115.05409	2.7
117.06985	5.0
119.08561	5.7
121.06519	11.2
121.10120	20.1
122.07258	7.8
123.08058	6.7
125.06004	1.9
125.09613	2.9
129.57687	2.0
131.08554	5.3
133.10100	100.0
135.08037	24.0
135.11649	3.5
137.06006	2.1
137.09596	92.5
143.08546	2.2
145.02724	1.8
145.10112	3.8
147.11636	3.0
149.05978	8.6
149.09563	5.8
149.13222	17.7
151.11168	12.2
153.09116	8.2
158.10884	2.6
163.14812	6.0
163.97766	2.2
165.12718	4.3
173.13255	10.7
177.05432	4.6
181.08592	3.3
191.06935	5.2
191.10680	2.2
191.14275	20.2
200.14287	1.8
209.04341	2.1
209.08025	3.4
209.15364	18.4
220.16562	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.35126	0.8
51.44031	0.7
53.03922	1.6
55.01850	3.1
55.05513	14.1
57.03431	6.6
57.07064	5.2
59.05002	4.5
65.03926	1.2
67.05501	10.5
69.03421	5.6
69.07066	6.7
70.06583	5.8
71.04987	14.3
71.32468	1.6
72.08119	1.1
79.05060	0.9
79.05486	10.0
81.03400	1.5
81.07050	19.6
82.06545	0.8
83.04975	11.7
83.08619	10.4
84.04494	1.2
84.08135	6.0
85.06529	5.1
86.09709	6.3
91.05470	9.2
93.03369	0.8
93.07038	15.5
94.06563	1.1
95.04959	51.9
95.08597	15.2
96.08926	2.4
97.06519	16.4
97.10158	2.0
99.04443	13.3
99.08073	2.9
103.05444	4.8
105.07024	10.5
106.04149	2.7
106.06514	1.0
107.04924	2.0
107.08585	22.3
109.06505	100.0
109.10154	20.0
110.07172	11.2
111.04430	1.1
111.08089	9.6
112.08708	1.1
113.09664	1.7
115.07574	1.2
117.07002	1.7
119.08574	7.5
120.08090	12.5
121.06500	5.0
121.10135	22.9
123.08064	16.3
123.11674	3.1
125.06023	1.8
125.08727	1.3
125.09594	8.0
131.08542	11.6
133.10117	26.3
135.08032	22.2
135.11681	4.5
137.09616	2.2
138.06609	1.1
139.07562	1.0
139.11107	2.1
143.08571	1.5
145.02831	1.6
145.10077	4.1
147.11659	4.8
149.05966	4.1
149.09627	5.8
149.13252	6.5
150.10410	0.9
151.11191	9.8
153.09085	38.2
158.10870	2.7
163.11131	1.3
163.14804	2.9
163.97697	1.4
165.12685	5.1
167.06972	3.0
167.14330	10.5
173.13231	17.8
177.05455	3.0
181.08531	1.2
191.06981	1.1
191.10661	1.9
191.14293	41.9
192.14619	1.1
209.04335	1.2
209.06175	0.9
209.08026	2.8
209.15350	55.5
210.07608	1.3
210.15665	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	209.1533
Annotation	3-hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	0.6
55.01854	2.1
55.05494	2.2
57.07072	4.3
63.28532	0.5
65.03924	1.1
67.05488	5.1
69.03416	1.2
69.07055	2.7
70.06570	2.1
71.04971	3.5
73.00163	0.5
73.42359	0.5
75.09645	0.5
78.04680	0.6
79.05478	6.0
81.03394	0.7
81.07052	5.5
81.47189	0.5
83.04955	2.1
83.08607	1.3
84.08142	3.4
85.02887	0.8
85.06530	1.7
86.09705	0.7
89.03858	0.4
89.53442	0.5
89.77607	0.5
91.05447	5.8
93.03399	1.4
93.07029	7.0
95.04951	6.6
95.08582	5.7
97.06508	1.8
99.04441	1.0
99.08085	0.9
103.05452	1.3
105.07005	5.6
106.04158	3.3
107.04960	1.2
107.08574	9.2
109.06500	100.0
109.10139	12.1
110.06871	0.9
111.04398	0.6
111.08073	1.5
111.92083	0.5
117.03373	0.6
117.06999	2.3
119.04948	0.5
119.08564	2.0
121.06481	4.8
121.10127	4.8
123.08054	9.9
123.11680	0.7
125.05998	1.7
125.09639	1.1
131.04927	0.8
131.08543	6.2
133.10120	7.2
134.03619	0.6
135.08026	24.7
135.11668	1.2
137.05962	0.8
137.09604	2.1
138.06584	0.6
139.11191	0.8
143.08534	0.7
145.10091	2.7
147.08017	0.8
147.11694	2.1
148.05183	0.6
149.05946	5.7
149.09581	3.4
149.13245	2.4
150.10396	0.7
151.07581	0.7
151.11108	2.5
153.05469	0.6
153.09085	4.2
158.10886	1.6
161.09637	0.8
163.02023	0.6
163.07605	0.7
163.11154	5.7
163.14838	1.1
167.14270	1.3
173.13249	7.3
176.11946	1.0
177.05449	2.9
181.08588	1.1
191.06996	1.0
191.10678	2.1
191.14276	21.3
209.02621	0.6
209.04451	1.2
209.08005	2.9
209.09834	0.9
209.11751	2.2
209.15324	12.1
209.20102	0.5
215.24963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.48832	2.0
55.01878	3.1
55.05502	7.5
57.07074	2.8
59.04989	3.5
65.03947	2.5
67.05496	21.6
69.03426	6.9
69.07062	6.3
70.87160	4.7
70.87580	4.7
71.04991	2.7
71.80140	1.8
79.05479	6.8
81.03410	3.1
81.07040	15.7
83.04977	6.6
85.06580	3.1
87.17870	1.9
91.05460	16.0
93.07039	14.7
95.04964	7.1
95.08599	23.3
97.06517	3.8
102.36649	1.8
103.05478	2.3
105.07021	46.2
107.08573	15.4
109.06506	36.4
109.10149	21.2
110.56697	2.2
111.08054	5.1
117.06990	3.8
119.04971	3.4
119.08572	41.3
119.09444	2.0
121.06489	9.0
121.10123	17.0
123.08060	28.6
123.11669	5.2
130.96916	2.1
131.08563	4.6
133.06458	2.6
133.10139	10.0
135.08017	3.0
137.09602	100.0
139.07521	6.9
145.10114	4.8
147.08034	11.7
147.11684	20.3
149.09615	30.2
151.07556	5.2
156.09352	4.7
161.09564	3.7
161.13214	23.0
163.11238	3.3
165.12674	3.8
171.11670	8.2
172.18730	1.8
174.10371	3.3
177.12744	2.5
189.12727	23.8
207.06622	2.3
207.13820	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01867	1.7
55.05515	8.0
57.03402	1.5
57.07064	1.7
59.04979	2.6
67.05495	7.2
69.03425	13.8
69.07060	15.3
69.38050	11.0
69.38457	3.6
70.06576	2.2
71.04979	7.9
78.74940	1.4
79.05475	9.8
81.07045	17.3
83.04984	13.7
83.08598	4.7
84.08121	3.2
91.05454	11.4
93.07036	14.2
95.04954	6.0
95.08588	21.7
97.06512	6.1
97.79908	1.8
99.08092	4.3
105.06997	13.3
107.04942	3.5
107.08574	43.6
109.06505	19.7
109.10144	19.3
111.08070	3.6
113.09641	1.5
117.06969	3.4
119.08553	7.7
121.06479	6.2
121.10130	41.0
122.07270	3.4
123.08068	8.9
123.11670	5.5
125.09619	14.2
131.08559	7.4
133.10120	61.7
135.08032	28.0
135.11670	9.7
137.09601	37.6
139.11119	3.1
143.08527	2.0
145.10101	4.0
147.11708	9.2
149.05943	2.9
149.09598	11.5
149.13226	23.9
151.11160	100.0
153.09143	2.9
158.10867	4.2
163.14804	10.0
165.12691	7.3
173.13239	20.9
178.64748	1.6
179.38756	1.6
191.14287	47.4
209.13435	2.6
209.15286	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.6
55.01857	1.3
55.05511	5.5
57.07050	3.1
59.04969	1.2
65.03905	1.2
67.05497	5.4
69.03427	8.4
69.07053	4.5
69.70560	1.7
69.70976	5.7
70.06566	3.2
71.04974	2.4
78.04704	1.0
79.05486	8.1
81.07045	16.3
83.04964	1.6
83.08598	3.1
84.08134	6.0
85.02927	1.0
85.06533	1.4
85.50519	1.1
86.09685	1.3
91.05458	12.6
93.03388	1.1
93.07043	8.0
95.04946	4.4
95.08589	6.1
97.06535	2.4
99.04437	1.3
103.05429	2.3
105.07019	12.5
106.04157	3.4
107.04927	2.2
107.08577	29.9
109.06503	24.3
109.10154	9.7
111.08080	1.5
111.92957	1.0
115.05431	2.8
117.07002	4.2
119.08563	5.9
121.06464	5.6
121.10119	19.5
122.07281	5.5
123.08064	4.7
123.11668	1.3
125.05929	1.0
125.09618	1.5
129.06978	1.1
131.08543	2.8
133.10110	100.0
135.08043	24.2
135.11653	2.9
137.09596	75.3
145.10097	4.1
147.11722	2.9
149.05968	6.0
149.09595	3.5
149.13231	17.7
151.11130	5.0
153.09068	2.3
158.10934	1.3
163.11151	2.4
163.14777	2.8
163.97731	1.5
165.12746	7.8
167.14417	1.3
173.13248	7.1
177.05476	4.3
191.07042	1.7
191.10677	1.3
191.14261	11.9
209.04277	1.4
209.07962	1.3
209.15335	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	207.1375
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05497	3.9
57.07060	4.2
64.70351	0.7
67.05492	24.8
69.03407	2.8
69.07043	1.9
70.96328	1.5
70.96672	2.0
71.04971	1.4
79.05479	2.9
79.39593	0.9
81.07040	4.3
83.04964	2.3
85.02853	0.9
85.06528	9.7
91.05450	7.2
93.07027	10.6
95.04945	3.1
95.08592	100.0
96.08913	2.0
105.07016	10.4
107.08571	14.6
108.05720	0.8
108.82877	1.0
109.06492	3.7
109.10129	2.8
113.05975	6.3
119.07722	1.0
119.08559	18.4
121.06494	2.5
121.10133	12.1
123.08046	43.8
123.11678	5.0
131.08528	2.4
133.06483	2.6
133.10094	4.1
135.08038	2.5
135.11665	6.6
137.09598	3.2
137.13266	1.6
147.08018	3.7
147.11682	9.0
149.09599	23.2
151.07533	2.1
151.14809	3.4
156.09364	1.7
161.09642	1.1
161.13237	11.9
163.11203	1.6
165.09109	1.5
165.12695	8.7
171.11670	2.1
174.10387	1.3
175.03783	1.1
179.14256	2.7
189.12697	13.8
207.06577	1.4
207.13768	20.9
226.47330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.0
55.01846	3.2
55.05502	15.1
57.03417	4.3
57.07052	5.7
59.04986	4.0
63.54817	1.9
65.03921	3.1
66.15837	1.6
67.05168	2.7
67.05495	40.8
69.03423	11.1
69.07047	8.1
70.87016	2.4
70.87366	3.2
71.04964	5.8
79.05479	11.7
81.03410	4.5
81.07045	20.3
83.04955	12.2
83.08607	2.6
85.06528	11.4
91.05463	24.1
92.55223	1.8
93.07030	22.7
95.04945	14.8
95.08595	97.7
96.08955	2.7
97.06488	4.0
103.05471	3.7
105.07012	56.6
107.04932	3.7
107.08573	35.4
109.05786	3.1
109.06498	42.2
109.10143	22.9
111.08059	11.6
112.23453	1.9
113.05979	5.8
117.06985	4.9
119.04893	7.3
119.08562	60.4
119.15196	2.1
120.08096	1.9
121.06500	11.2
121.10135	24.3
122.07284	3.0
123.08050	58.9
123.11669	8.1
125.09579	2.5
128.82150	1.9
129.07001	3.1
129.50754	1.7
131.08556	6.5
133.06459	5.2
133.10114	17.2
135.08037	8.1
135.11652	8.2
137.09598	100.0
137.13191	2.9
138.09911	2.5
139.07536	15.5
141.97205	2.0
143.08504	3.8
145.10086	6.2
147.04320	3.4
147.08035	16.1
147.11676	33.6
149.09598	69.6
151.07547	10.8
151.14749	4.6
153.09059	3.2
156.09286	6.2
159.07964	3.2
159.11713	3.0
160.08844	2.6
161.09566	6.0
161.13243	40.7
163.11130	10.7
164.04602	2.7
165.09064	2.5
165.12704	14.3
171.11655	13.7
174.10367	6.2
177.12700	7.5
179.06969	3.4
179.14276	5.2
189.12717	38.4
193.89961	1.9
207.06503	7.7
207.13776	74.8
207.15744	4.4
208.14177	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	4.3
55.01859	3.6
55.05510	13.8
57.03418	6.9
57.07068	5.0
59.05000	10.8
64.22015	1.8
67.05497	36.3
69.03418	11.6
69.07063	12.9
71.04973	5.4
71.21236	4.5
79.05483	16.9
81.03387	3.1
81.07048	22.9
83.04982	9.8
85.02868	2.2
85.06546	11.7
91.05476	30.4
93.07022	30.1
95.04942	17.2
95.08595	93.9
97.06527	4.8
105.07017	64.9
107.04912	7.3
107.07870	3.6
107.08583	52.4
108.05730	2.9
109.06506	35.6
109.10142	24.0
111.08058	7.5
113.05974	7.1
117.06978	4.3
119.04932	10.7
119.08568	70.7
121.06494	11.3
121.10130	30.0
122.07239	4.2
123.04420	2.8
123.08054	87.7
123.11675	8.0
124.08431	3.3
125.09592	4.7
129.07016	3.1
131.08534	9.0
133.06502	9.7
133.10117	21.6
135.08047	23.2
135.11687	10.3
137.09601	100.0
137.13254	2.6
138.09914	2.6
139.07504	6.6
143.08554	7.3
145.10126	8.7
147.04381	8.3
147.08040	16.3
147.10493	3.6
147.11664	60.7
149.09595	60.0
151.07494	12.1
151.14793	2.7
153.09068	14.2
156.09317	8.9
159.08009	2.9
159.11670	7.2
160.08795	3.5
160.20619	1.9
161.09596	5.2
161.13243	46.0
163.11137	6.7
165.09105	3.1
165.12711	12.1
171.11662	14.2
172.54802	2.0
174.10384	9.0
175.03955	12.2
177.12758	7.1
179.07068	3.1
179.14299	7.6
189.12720	43.5
192.04114	3.6
207.06500	11.9
207.13780	86.9
207.15739	4.8
223.02225	2.6
224.93552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.93356	2.2
55.01854	4.9
55.05499	15.2
57.03422	4.9
57.07050	5.0
59.04977	6.0
65.03921	3.7
66.94878	1.8
67.05486	21.1
69.03080	2.4
69.03423	28.2
69.07067	15.5
69.78741	14.2
69.79145	3.9
70.06567	3.2
71.04975	4.6
76.93066	2.0
79.05482	19.7
81.03385	8.0
81.06650	2.2
81.07048	24.5
83.04974	10.7
83.08585	2.5
84.08120	4.3
85.02879	4.7
85.06540	3.8
91.05465	29.8
93.07025	20.6
95.04951	15.5
95.08596	37.8
97.06493	6.4
98.21458	4.6
103.05443	4.4
105.07008	68.3
107.04939	8.3
107.08567	35.2
109.06494	33.4
109.10121	16.5
110.07148	1.9
111.04402	2.8
111.08066	5.8
113.06006	2.1
115.05459	2.9
117.06998	6.1
119.04926	11.4
119.08569	74.5
120.08097	3.4
121.06452	13.4
121.10136	31.7
122.07255	2.6
123.04393	6.9
123.08050	44.5
123.11687	8.2
125.09578	3.6
128.06168	3.4
129.06978	2.9
130.07675	2.0
131.08534	8.1
133.06458	12.4
133.07385	2.2
133.10104	35.2
135.08015	14.4
135.11665	6.3
136.05168	3.4
137.05954	4.8
137.09595	61.2
137.13168	2.7
139.07527	4.2
143.08536	8.1
145.06456	2.5
145.10081	10.1
147.04398	7.6
147.08028	17.6
147.11647	57.4
148.11928	2.6
149.02318	7.5
149.09604	43.1
151.07518	22.1
151.11101	3.3
153.09093	8.3
156.09302	10.2
159.07938	3.6
159.11652	4.4
161.09561	9.5
161.13235	72.1
162.13446	2.6
163.11151	13.0
164.04625	8.8
165.09103	6.6
165.12717	9.9
171.11702	15.1
174.10381	6.1
175.03847	2.6
177.12703	5.4
179.07028	8.4
179.14325	5.7
182.25905	2.1
189.09077	2.4
189.12724	58.3
189.14438	3.8
192.04086	3.3
207.06480	24.1
207.13768	100.0
208.14211	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.8
55.01862	2.1
55.05499	7.8
57.03425	1.7
57.07063	2.3
59.04986	5.1
65.03930	3.1
67.05493	16.0
69.03418	8.8
69.07061	6.0
70.06576	2.5
70.23360	1.2
70.23675	4.0
71.04976	3.8
77.03921	1.0
78.28426	0.7
79.05492	7.8
81.03404	2.8
81.07040	11.4
83.04972	10.9
83.08604	2.4
84.08121	1.8
85.02886	2.0
85.06532	4.5
89.03909	1.0
91.05465	34.5
93.07026	12.2
95.04956	7.7
95.08586	42.1
97.02935	0.9
97.06512	3.4
99.04414	1.0
99.08076	1.0
103.05452	2.3
105.07010	25.9
107.04933	3.4
107.08572	20.0
108.05744	1.2
109.06499	100.0
109.10146	7.9
110.06994	0.7
111.04385	1.3
111.08065	2.9
113.05978	1.9
117.06995	2.6
118.04128	2.7
119.04919	25.3
119.08559	27.5
121.02873	0.8
121.06477	5.9
121.10121	16.1
122.07283	0.7
123.04401	3.0
123.08047	46.3
123.11696	4.5
125.05986	1.2
125.09624	1.7
128.06151	1.6
129.06975	1.6
131.08577	6.5
132.02040	2.0
133.06438	3.9
133.10115	12.4
135.04466	0.8
135.08025	4.3
135.11627	3.5
136.05177	1.4
137.05974	1.3
137.09592	15.8
139.07529	1.6
139.11116	2.2
143.08505	3.8
144.08057	0.9
145.06482	0.9
145.10124	5.2
146.03540	3.6
147.04382	20.7
147.08012	8.8
147.11655	21.2
149.02370	5.4
149.09596	34.1
151.07516	14.3
151.14772	2.0
156.09306	6.6
157.03955	1.2
159.08034	1.0
159.11639	2.5
160.08751	1.2
161.05826	0.9
161.09564	6.5
161.11934	1.4
161.13232	22.2
163.03867	1.0
163.11151	6.7
164.04648	4.7
165.09070	3.1
165.12715	9.4
171.11655	6.0
174.03160	3.6
174.10335	3.2
175.03894	26.1
177.12741	1.6
179.06999	4.2
179.14281	2.6
189.09088	1.4
189.12706	26.9
190.13092	0.9
192.04140	10.7
207.04494	1.6
207.06479	29.5
207.09746	1.4
207.13765	46.6
208.06731	1.1
208.14079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61934	1.3
53.03925	1.5
55.01854	6.4
55.05500	6.7
56.05030	21.8
57.03423	8.7
57.05341	5.0
57.05791	1.5
57.07044	2.5
58.06589	13.0
58.99558	1.6
58.99843	2.5
59.04990	2.1
60.04517	22.1
60.05617	5.6
60.08132	4.0
61.01140	8.2
61.02902	4.2
63.00694	3.7
63.92897	1.7
65.92600	5.7
67.05482	5.4
67.12547	1.2
68.04999	1.8
69.03412	8.3
69.07056	14.2
70.02914	4.4
70.06582	66.9
71.04992	7.7
71.06886	2.9
71.73969	1.9
72.04502	6.1
72.08144	37.0
72.93757	2.4
73.02905	8.5
73.06499	1.5
73.08478	3.6
74.02402	3.9
74.06070	40.4
75.06065	1.2
75.06404	13.8
75.98471	1.1
76.03986	11.9
78.95272	6.5
79.05463	3.4
80.04986	3.1
80.94948	18.7
81.03384	5.6
81.04502	3.6
81.07010	3.3
82.05305	1.4
82.06555	2.8
82.99837	1.8
83.04974	1.3
83.06082	9.5
83.93637	1.8
84.04037	1.5
84.04494	19.9
84.08131	90.8
85.02423	1.5
85.02892	19.3
85.06510	3.3
85.08459	6.5
86.00651	2.9
86.03222	1.4
86.06021	2.0
86.09692	76.8
87.04446	2.5
87.09466	1.2
87.10011	5.3
88.02170	1.5
88.03954	2.0
89.06001	4.9
89.94701	1.4
90.05033	1.9
90.05543	26.0
91.05457	9.0
92.05777	2.4
93.04504	5.5
93.05754	2.0
93.07014	3.4
95.04934	2.3
95.06057	2.9
95.08579	3.3
96.04441	3.3
97.02279	1.5
97.02869	15.3
98.02368	5.2
98.03192	1.8
98.06026	3.6
98.50267	1.4
98.95927	1.4
99.04433	3.6
100.02422	4.0
100.03942	3.6
100.07580	2.2
101.00832	10.4
101.02433	2.6
102.05513	3.7
103.00620	1.8
104.05270	5.6
104.07097	12.1
105.03366	1.6
105.07471	6.8
109.02814	2.3
110.06007	3.0
110.07147	61.8
110.38877	1.5
111.07426	1.8
112.07545	2.5
112.08688	6.0
113.00826	1.4
113.07104	2.0
113.96380	2.5
114.03711	3.5
114.05460	2.1
114.09095	1.8
115.02381	2.2
115.03876	3.6
115.08637	3.2
116.03417	4.5
116.05285	2.1
116.07064	6.7
117.02107	1.5
118.03450	1.9
119.01904	68.8
119.04900	3.5
119.97847	4.6
120.01936	6.3
120.08093	6.8
120.98202	3.6
121.01642	10.4
121.06454	1.7
121.08399	3.9
121.97550	23.7
122.07081	3.4
122.94157	3.6
124.02422	3.2
124.03925	1.9
124.07535	3.1
124.11201	1.8
124.93847	11.1
125.07030	1.9
127.03874	2.5
128.04233	1.3
128.07065	8.5
128.09033	1.3
128.10687	1.8
129.01826	1.3
129.10219	29.3
130.08592	9.5
130.09535	2.6
130.10529	2.9
131.01898	8.7
131.03331	2.1
131.08983	2.0
132.01073	2.6
132.01968	13.1
132.95796	2.0
133.01585	3.7
133.03369	4.1
133.07614	3.3
134.03543	1.8
134.08095	2.7
135.03224	1.4
135.04935	1.4
135.08099	2.0
136.06174	24.1
136.07515	11.7
136.08528	2.2
137.01955	2.0
137.02925	28.1
137.07861	3.8
138.03024	3.2
139.02621	3.6
140.07036	3.3
140.95209	1.6
142.03471	100.0
142.08615	2.6
142.94919	6.2
143.01875	4.7
143.03600	2.2
144.00989	3.6
144.10181	1.9
145.03383	2.5
146.03644	1.8
146.08136	6.2
147.03072	3.6
147.11264	6.7
148.07526	1.7
148.08646	3.8
149.02982	3.5
150.02979	9.6
150.05602	2.3
150.96829	3.5
154.03452	5.5
155.03606	19.0
156.03154	3.0
156.05052	3.2
156.07669	20.1
156.97426	5.2
157.01378	3.6
158.06627	2.4
158.96246	3.9
159.03189	1.4
159.07608	1.8
159.96614	1.8
160.04523	52.6
160.07565	1.7
160.09651	7.8
160.95969	13.2
161.02922	20.5
161.04420	2.8
161.07117	2.2
163.02667	3.6
163.96844	2.1
163.98824	1.6
164.97108	5.2
164.98407	5.5
165.05104	6.7
165.08972	3.3
165.95219	1.5
165.96541	21.3
166.09766	7.2
168.01871	1.5
170.08008	6.6
170.11658	1.6
172.04446	2.4
173.04674	9.4
174.04317	1.6
174.98532	7.8
175.02640	3.4
175.11842	5.1
176.04602	1.6
176.98401	1.6
178.04968	97.5
178.07352	2.6
178.09656	5.0
178.13297	2.0
179.04056	6.1
179.05310	2.3
179.09290	2.4
179.98982	1.6
180.05130	3.5
181.97792	4.8
182.02953	2.4
182.98225	9.1
183.01353	2.6
183.02864	2.2
183.06152	4.6
183.97575	36.8
184.04514	13.3
184.15756	2.9
188.00064	2.2
188.03763	3.2
188.07419	2.6
188.09126	22.7
188.10989	3.1
188.12755	3.4
189.04193	2.7
191.14262	3.6
193.10812	19.5
194.05206	3.3
201.00494	1.7
201.02361	3.5
201.04163	3.1
202.05502	2.3
204.00955	1.5
205.03830	2.3
206.04456	58.7
206.08310	6.7
206.10187	13.6
206.12274	6.0
206.15201	51.2
206.65353	10.7
206.99222	4.4
207.05136	2.3
207.14862	5.1
208.07149	2.2
219.05275	1.6
223.15422	1.6
224.03972	5.4
225.09721	3.3
226.15526	2.1
228.99567	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	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.97306	0.3
53.03937	0.4
55.01855	0.3
55.05502	2.0
57.03431	0.3
57.07067	10.3
60.04511	1.1
61.04832	0.3
63.23793	0.3
65.03925	4.0
67.05492	1.9
67.54899	0.2
69.03410	0.8
69.07054	4.1
69.45940	1.9
69.46372	1.2
70.06563	0.3
72.93787	0.5
74.09702	0.3
76.79713	0.3
79.05476	2.9
81.03397	1.2
81.07047	13.0
83.08608	1.9
85.02882	1.8
88.48460	0.3
91.05451	1.5
93.03409	2.1
93.07028	12.5
95.04983	0.8
95.08591	7.3
97.02871	4.1
97.10143	0.8
98.03144	0.4
98.03692	0.5
98.20708	0.6
99.04433	0.4
105.06998	1.1
107.07861	0.5
107.08578	8.0
109.02850	2.7
109.10145	5.9
111.04463	1.4
111.11656	0.4
113.96388	1.6
116.05299	0.6
117.06943	0.3
119.08603	0.6
120.08157	0.4
121.02859	11.2
121.03917	1.3
121.06474	1.6
121.10126	30.1
122.10454	0.4
123.08048	0.3
123.11687	4.2
127.03880	0.9
127.05814	0.5
131.08527	0.3
131.97403	1.6
135.08006	0.8
135.11668	5.6
145.10056	0.4
147.04465	0.3
147.08058	0.4
147.11670	0.3
149.02319	100.0
149.13235	13.6
150.02646	4.0
154.99026	0.9
159.11653	0.4
160.04097	0.3
162.10382	0.6
163.11159	1.0
163.14812	0.8
167.03419	2.7
175.07512	0.3
177.12729	3.5
178.05042	0.4
181.54942	0.3
181.97818	0.3
187.11125	0.4
189.11049	0.3
190.04976	2.0
190.09854	0.6
191.14278	4.9
205.08923	0.5
205.12231	4.7
205.14128	1.6
205.15753	0.5
205.19490	7.5
206.07994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03926	1.3
55.05500	9.0
57.07064	11.0
60.04509	1.3
65.03940	3.8
67.05497	9.1
69.03416	1.4
69.07054	15.1
69.51369	5.1
69.51795	2.0
71.08601	0.9
72.93777	1.0
77.03884	0.7
79.05481	9.7
81.03389	1.5
81.07044	46.3
83.08614	6.5
85.02898	2.1
91.05476	5.5
93.03368	0.8
93.07033	37.2
95.04929	1.4
95.08588	28.2
97.02867	6.5
97.10139	5.9
99.04455	0.7
105.07005	4.1
107.08572	26.7
108.04483	0.9
109.02850	4.5
109.10136	22.9
111.04379	1.0
111.11715	3.1
113.96394	1.6
116.05296	1.1
119.08549	2.1
121.02852	7.4
121.03748	1.0
121.06490	3.1
121.10123	100.0
122.10445	1.9
123.08100	0.9
123.11676	13.5
127.03930	2.0
131.08507	1.0
131.97409	1.8
135.08104	0.7
135.11661	20.2
135.12694	1.4
137.13213	2.0
145.10056	1.0
147.07837	0.9
147.11601	0.9
149.02319	65.6
149.13234	37.7
150.02650	1.9
154.99034	0.9
159.11752	0.8
162.10385	1.4
163.11107	1.3
163.14801	4.4
167.03430	1.1
177.11345	0.7
177.12701	4.3
190.04930	0.9
205.09137	0.6
205.12224	6.7
205.14087	2.2
205.15840	1.5
205.19489	32.0
206.08115	1.4
206.19852	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	206.0446
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
69.70737	0.2
70.06564	0.3
71.12791	0.4
79.10519	0.2
84.08131	0.3
105.03397	0.8
132.04439	1.8
133.02802	0.3
142.10449	0.2
150.02693	0.2
150.05479	1.6
160.03931	0.4
178.04967	100.0
179.05316	1.2
206.04459	53.9
207.04855	0.7
227.96526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31763	1.2
66.77457	1.1
68.80152	1.3
70.85152	3.4
72.79371	1.2
74.02934	1.1
82.99809	1.2
101.00852	12.6
119.01894	58.1
120.02000	2.5
121.01640	2.5
124.02437	4.4
137.02936	17.5
142.03473	100.0
143.03572	2.0
156.04930	1.6
160.04530	50.2
161.02959	4.0
165.05072	5.3
182.02914	1.9
183.06033	1.3
183.97670	1.3
184.04408	1.9
201.02429	1.8
202.42747	1.3
224.04013	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	206.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03991	0.5
55.01926	3.0
55.05558	2.0
56.05084	4.6
56.05890	0.6
57.03485	5.9
58.03807	0.6
58.06650	1.7
58.99624	1.1
58.99899	0.6
59.05036	0.6
60.04245	0.6
60.04573	11.6
60.05674	0.7
61.01182	1.0
61.02639	0.5
61.02975	8.1
61.04882	0.6
62.03286	0.5
63.92973	0.6
65.92645	0.7
65.93943	0.3
66.06518	0.4
67.05558	1.4
68.05070	1.0
69.03419	6.0
69.07124	1.2
69.69305	3.2
70.03807	0.6
70.06229	0.4
70.06578	6.6
70.95902	0.4
71.05042	1.5
71.06986	0.5
72.04572	1.2
72.08144	10.6
72.93831	0.7
73.02911	7.2
73.08481	6.8
74.02481	1.1
74.03282	1.0
74.06069	5.2
74.09741	0.4
75.03368	0.5
75.04517	0.4
76.02264	0.5
76.03992	3.1
78.95304	0.5
79.05514	0.8
80.05011	2.2
80.94948	2.9
81.03414	2.5
81.07097	1.0
82.06627	1.4
82.99904	0.5
83.05006	0.7
83.06144	0.9
84.04500	8.9
84.08135	6.0
85.02415	0.5
85.02895	11.4
85.04884	0.5
85.06565	0.5
86.00714	1.2
86.03280	0.9
86.06053	4.3
86.09702	6.5
86.99097	1.1
87.03337	0.8
87.04457	9.8
87.10040	0.6
88.02261	0.5
88.04028	0.8
90.05560	2.0
90.94860	0.5
91.05529	1.2
92.05869	0.4
93.07088	1.4
94.06637	0.5
95.01376	0.6
95.01993	0.5
95.05003	0.7
95.08630	0.5
96.04530	0.7
96.08122	5.1
97.02882	6.0
98.03247	0.9
98.06037	7.1
98.09738	0.7
98.96012	0.6
99.04440	2.0
100.02535	1.2
100.03999	0.4
100.07622	1.0
101.00854	3.6
101.02552	1.0
101.06070	0.5
102.00988	0.8
102.05529	2.6
103.00679	1.3
103.02348	0.5
103.03305	0.4
103.04044	1.2
104.05343	2.9
104.07100	3.2
105.00375	0.6
105.03417	0.7
106.05071	0.4
106.06578	0.7
107.08615	0.6
108.04530	0.4
109.02909	0.6
109.10159	0.6
110.06036	2.4
110.07159	6.6
110.07843	0.5
111.02977	1.2
111.07504	0.5
111.53051	0.6
112.02886	0.5
112.07647	1.0
112.08768	0.9
113.02402	0.9
113.03099	0.5
113.07212	0.5
114.03799	0.8
114.05559	1.4
115.02455	1.6
115.04001	0.6
116.02517	0.6
116.07127	1.3
117.02117	0.4
118.03564	1.0
118.08661	0.7
119.01908	31.0
119.97874	1.0
120.02000	4.7
120.03421	0.8
120.06543	2.1
120.08113	0.6
120.98281	0.5
121.01652	5.0
121.03387	0.8
121.97585	2.9
122.02010	1.0
122.03681	0.4
122.06023	2.8
123.02964	0.8
124.02490	1.4
124.07565	3.7
124.11292	0.4
124.93928	1.5
126.05537	0.9
126.09165	0.4
127.03900	2.7
128.04214	0.7
128.07065	5.2
129.03096	0.4
129.10297	1.4
130.03740	0.6
130.05003	0.6
130.08659	0.8
131.01888	3.6
132.01135	0.8
132.02052	2.3
132.03471	0.8
132.04471	1.4
132.06595	0.6
132.95863	0.6
133.01639	2.4
133.03438	2.9
133.53479	0.4
134.03645	1.7
134.06058	1.2
135.03192	0.9
135.08038	0.8
136.03716	0.7
136.06192	0.8
136.07567	1.2
137.02937	17.6
138.03142	1.1
139.02693	1.5
140.03532	0.7
140.07101	2.1
141.04016	0.4
142.03473	44.5
142.08607	4.2
142.94969	1.2
143.01852	3.1
143.03606	1.4
144.02142	0.5
144.03325	0.9
144.06589	1.8
144.10211	0.5
144.53615	0.4
145.01683	1.8
145.03477	2.0
145.04997	0.9
146.03627	1.1
146.08089	4.0
146.98184	0.8
147.01297	0.6
147.03145	0.9
147.11392	0.7
148.08751	0.5
149.02939	1.3
149.04045	0.6
150.03038	1.5
150.05449	2.1
150.96893	1.4
151.02682	0.9
151.04475	0.8
152.04733	0.5
152.07034	2.0
152.10655	0.6
153.04031	0.9
153.09082	0.5
154.03522	0.9
154.53056	0.8
155.01814	0.9
155.03664	2.3
156.02081	0.5
156.03278	1.0
156.05035	1.4
156.07686	1.4
157.01665	1.1
157.03456	1.4
158.01982	0.6
158.03532	0.5
158.08078	0.5
158.96245	0.7
159.03212	0.5
159.07642	0.9
160.01561	1.1
160.04541	25.2
160.09692	3.6
160.96059	2.0
160.97218	0.4
161.02945	11.3
161.04323	0.6
162.03072	2.5
163.02663	3.6
163.04550	0.8
164.03073	1.8
164.04488	0.8
164.05855	0.5
164.97203	0.6
164.98486	1.2
165.05135	4.8
165.96548	3.1
166.03459	0.5
166.09721	0.7
170.08087	7.9
170.11734	1.3
172.04567	0.5
173.02963	2.7
173.04730	1.4
174.03073	0.9
174.04485	1.4
175.02740	2.5
175.04489	2.2
175.11896	0.5
176.03053	0.9
176.04596	1.5
177.03069	0.7
178.04971	100.0
179.03935	3.2
179.05331	1.6
180.05006	1.3
181.97900	0.7
182.02940	0.9
182.98228	1.5
183.03105	1.3
183.04689	0.7
183.06218	2.2
183.97575	5.5
184.04527	7.3
185.02953	2.4
185.05008	0.5
187.00890	0.5
187.02715	1.1
187.04469	1.0
188.00949	0.5
188.03624	0.8
188.09178	7.3
188.11008	1.0
188.12755	2.2
189.00592	0.7
189.04282	1.2
192.04085	0.4
193.03763	0.5
193.10817	2.7
194.05698	1.3
197.02771	0.5
198.06033	0.7
201.00734	0.4
201.02359	1.7
201.04260	0.9
201.07298	0.6
202.05562	0.9
203.03992	1.2
203.06058	0.5
204.04208	0.7
205.03674	1.1
205.56367	0.4
206.04439	50.9
206.10205	26.0
206.11972	1.0
206.13745	2.2
206.15518	2.5
206.65215	0.7
206.99268	0.8
207.04845	1.4
207.14960	2.0
215.03964	0.7
216.00537	0.8
217.01833	0.5
219.03378	0.7
220.03831	0.5
221.03098	0.5
221.05003	1.2
222.05202	1.0
223.04811	1.4
224.03989	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	202.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90139	0.8
57.38460	0.7
70.73255	2.9
82.99808	1.6
84.08145	1.2
93.42981	1.0
100.02460	3.2
101.00865	13.8
118.03472	1.8
119.01903	100.0
120.02012	2.4
124.02454	1.4
137.02940	39.4
142.03477	33.8
143.03670	1.0
156.62193	0.9
160.03313	1.2
160.04546	15.1
161.02931	20.0
178.05573	1.2
179.03984	42.9
180.04248	1.2
184.04514	1.9
197.99156	2.9
199.50043	2.5
200.00108	1.3
202.05559	2.0
220.02118	1.2
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-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.05511	1.6
56.05028	1.5
56.14810	0.7
58.38153	0.7
60.04518	4.5
61.01145	1.2
69.07050	1.3
70.06587	3.6
71.62666	1.1
72.08144	10.0
74.06056	0.8
84.08121	3.6
86.09693	100.0
87.10043	1.1
103.27106	0.8
129.10228	1.6
132.10181	90.3
133.10559	0.9
134.13339	0.7
138.25671	0.9
157.13333	15.6
158.09979	0.9
166.32558	0.9
175.44073	0.7
185.12952	0.9
200.66519	0.8
203.13869	8.5
204.08655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.24892	1.0
53.58960	1.2
55.05496	6.9
57.07072	5.7
60.04515	26.7
67.05500	10.4
68.04998	1.4
69.07059	13.2
70.06553	1.4
70.46579	2.9
79.05486	7.2
81.06571	2.0
81.07039	27.5
83.08578	3.5
84.04485	5.3
85.02867	3.2
86.09672	4.3
91.05464	14.7
93.07030	13.2
95.04968	1.4
95.08594	38.3
96.04469	3.0
97.02865	4.3
105.07015	100.0
106.07362	1.6
107.08583	19.9
107.67816	1.3
109.10139	29.7
110.06050	1.2
114.05483	4.0
116.77059	1.0
117.06994	2.8
119.08563	42.3
120.96471	1.7
121.10114	17.0
123.11673	5.9
126.05491	5.6
129.06976	1.2
130.06517	1.8
131.08502	1.9
133.10104	41.2
134.96251	1.3
135.02028	1.2
135.11642	4.3
142.07855	1.7
143.08543	1.5
144.06494	2.3
145.10060	4.0
147.11665	76.6
154.29105	1.1
157.10179	1.9
159.11682	3.5
160.12457	2.8
161.09615	1.2
161.13222	25.9
168.06552	1.8
173.13220	1.4
175.14801	12.4
185.09663	1.7
186.02211	2.8
189.11485	2.0
198.00169	1.6
203.06966	2.5
203.10715	4.2
203.14276	4.5
203.17924	92.1
204.08658	9.7
204.13777	13.1
204.18221	1.5
205.77487	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05490	5.5
60.04517	32.1
61.22062	1.2
67.05499	11.8
68.04995	2.8
69.07056	7.8
71.78606	2.0
79.05475	2.6
79.56372	1.5
81.07044	23.2
83.04942	1.6
83.08604	2.0
84.04493	8.4
85.02880	2.3
86.09668	4.3
91.05475	9.3
93.07036	19.2
95.04976	1.9
95.08592	44.9
96.04462	5.5
97.02867	4.3
98.06000	1.6
99.04449	1.3
105.07013	31.3
107.08575	27.1
109.10142	28.5
109.10884	1.8
114.05518	3.6
119.08562	20.5
120.96445	1.5
121.10120	13.4
123.11687	7.2
126.05495	8.8
127.03900	2.1
133.10098	19.1
135.11649	2.4
143.08325	1.5
144.06532	2.8
145.10103	2.0
147.11673	36.8
150.43416	1.5
155.60930	1.3
157.10155	3.2
160.53993	1.4
161.09622	3.0
161.13190	15.8
163.02240	1.4
168.06477	1.8
171.17441	1.4
175.14792	8.1
185.09657	2.4
185.13101	1.9
186.02188	1.6
186.07603	2.0
190.07620	1.4
203.06969	2.8
203.10721	5.9
203.14323	5.8
203.17929	100.0
204.08673	12.3
204.13789	14.3
204.18204	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	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
51.50576	0.5
55.01838	0.9
55.05493	2.5
57.07069	5.5
58.24505	0.5
60.04520	2.9
63.61087	0.5
65.03922	1.5
67.05493	2.9
68.34103	0.6
69.03410	2.1
69.07043	2.0
70.06574	1.3
70.89969	2.0
71.04980	20.5
72.93767	0.8
77.55167	0.5
78.95277	0.8
79.05475	2.2
81.03390	2.5
81.07040	8.2
83.08593	1.0
84.08105	1.2
85.02882	2.4
87.04443	0.7
91.05467	5.8
93.07027	9.8
95.04938	2.3
95.08591	16.5
97.02879	8.8
97.06484	1.1
99.04433	1.5
99.08057	1.7
105.07015	27.1
107.04945	0.7
107.08577	9.7
107.98012	0.5
109.02867	5.5
109.06494	1.6
109.10146	2.7
111.08078	1.9
113.09626	16.9
113.96382	1.0
117.07005	1.9
119.08558	12.8
121.02875	2.9
121.06492	4.4
121.10124	8.3
123.08046	1.0
127.03876	2.5
130.07756	1.2
131.08545	12.4
131.97458	0.9
133.10136	1.3
135.08020	1.5
135.11668	1.8
143.08382	0.6
145.10104	21.9
146.06056	0.7
147.11668	33.9
148.12030	0.6
149.02321	30.8
149.09549	1.0
149.13248	1.8
150.02592	0.8
154.12148	0.7
159.11664	5.7
161.13249	3.7
162.10378	1.9
163.11139	2.1
163.14803	2.2
163.96825	1.0
167.03317	0.5
177.12737	8.1
177.16457	0.8
181.97868	1.6
187.14789	32.8
188.07024	0.7
190.09860	0.7
205.04892	0.7
205.12503	10.6
205.14363	3.7
205.15843	100.0
206.16092	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10441	1.0
58.99236	0.8
59.32154	0.9
63.22024	0.9
70.68660	3.2
70.95681	1.1
82.99821	1.1
100.02447	2.2
101.00866	13.1
114.73730	0.9
118.03534	1.9
119.01904	100.0
120.02015	1.8
124.02462	2.1
137.02940	37.3
142.03485	33.1
160.04547	17.1
161.02940	17.3
161.04419	1.2
178.05545	1.1
179.03992	47.4
197.99216	2.8
199.50085	2.1
200.00156	1.6
202.05539	2.2
222.61583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03941	1.8
65.03942	1.0
67.21997	0.2
70.06588	0.2
71.68497	0.3
71.68837	0.2
71.99095	7.9
74.09715	0.4
77.03935	0.6
79.05489	0.3
81.03409	0.2
91.05470	100.0
91.44534	0.2
92.05813	0.9
94.99093	0.2
95.04955	3.6
98.97576	0.4
100.07593	0.3
105.04504	0.9
106.06548	0.3
110.06141	0.2
116.14359	0.2
116.98650	0.2
123.02640	16.7
123.75497	0.2
134.99632	0.2
148.97646	0.5
152.98257	35.1
153.98518	0.3
182.00957	1.3
184.56963	0.2
199.18904	2.3
200.02051	0.3
200.19051	0.3
200.23682	0.6
204.81425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1278
Annotation	Ecgonine methyl ester
Peak:m/z	Relative Intensity
55.01854	2.5
56.05009	0.8
57.03425	1.4
58.06577	0.6
61.02888	0.7
61.32061	0.3
64.71847	0.3
67.05492	0.4
69.03403	1.0
69.07069	1.9
70.03158	1.7
70.06573	4.1
71.04969	0.4
72.04484	0.4
72.08137	2.5
73.02898	1.5
73.08454	0.4
74.06067	0.5
79.05470	1.3
80.04967	0.8
81.03382	0.5
81.07034	0.8
82.01404	0.3
82.06562	0.8
83.04948	0.8
83.06080	0.7
84.04488	2.2
84.08121	1.3
85.02863	0.9
86.06070	0.5
86.09689	2.5
91.05463	0.8
93.07023	1.2
94.06538	2.1
95.08580	0.8
96.04453	0.4
96.08103	1.4
97.02874	0.8
97.06521	0.6
97.78478	0.3
98.06019	0.7
98.97562	0.5
100.02444	0.9
101.00851	1.1
102.05509	0.5
105.07006	0.6
107.07291	0.5
108.04479	0.4
108.08102	3.1
109.02835	0.5
109.08884	0.4
109.12574	0.3
110.09655	3.0
111.53005	0.4
114.09126	0.9
116.98584	1.3
118.03487	0.5
119.01894	8.3
119.08546	1.2
120.01968	0.8
120.03221	0.4
120.08077	0.7
121.01637	0.5
122.06011	0.9
122.09644	17.3
123.08054	0.7
124.07504	0.4
125.05930	0.5
126.05479	0.9
127.03936	0.5
129.10188	1.1
131.01884	3.9
132.01874	0.3
133.03398	0.9
134.09630	0.8
134.99625	0.5
136.06104	0.7
136.07552	0.6
136.11188	13.4
137.02942	3.7
140.07057	0.5
140.10699	2.8
145.03423	0.9
146.09618	3.0
147.08047	0.8
149.01089	0.4
149.02921	2.7
149.08281	0.5
154.03471	2.2
154.09705	1.1
156.05006	0.5
157.03391	0.6
161.02852	0.3
162.09097	0.8
163.02721	0.4
164.10683	31.6
165.08998	0.8
165.11150	0.8
172.04544	1.1
172.08072	0.4
173.02908	1.3
173.12762	0.5
175.02649	0.4
176.98257	0.3
177.01013	0.5
177.02403	2.0
177.04097	0.4
182.02934	0.7
182.04471	2.5
182.08102	0.8
182.11714	10.6
183.08417	0.9
183.11237	0.6
191.03967	0.8
195.03461	1.3
200.04060	2.8
200.12773	100.0
201.02428	2.2
201.13097	1.4
204.04033	0.5
212.32187	0.3
218.05087	1.7
218.31670	0.3
219.03473	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	197.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
65.92676	0.3
69.03428	0.3
70.06585	0.5
70.12370	0.3
70.61107	0.4
70.95865	1.7
71.70293	0.5
71.70667	0.4
72.93787	0.7
81.39448	0.5
81.85815	0.3
87.04343	0.3
92.04971	0.3
94.06553	2.0
97.02882	0.6
110.06024	1.3
110.07140	0.8
111.62183	0.4
111.98489	1.3
119.01911	1.4
129.99515	1.2
132.95824	2.7
134.06007	0.4
138.05482	100.0
139.05812	1.2
143.01959	0.4
150.96863	5.3
152.06813	12.1
155.97391	2.3
161.07018	1.0
173.98462	4.1
174.06033	0.7
179.08099	1.5
180.06389	1.1
197.08951	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	199.1327
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01884	0.6
55.05502	18.1
56.05820	0.7
57.03426	1.1
57.07068	12.2
57.93555	1.1
65.03914	0.7
67.05486	3.0
69.03401	0.9
69.07056	4.5
70.28970	1.2
70.29393	2.3
71.04970	0.9
72.04501	0.9
74.09708	6.8
79.05487	3.0
81.07047	4.2
83.04968	9.0
84.04512	0.7
85.06526	6.1
91.05468	2.1
93.07027	8.6
95.04945	0.8
95.08588	10.4
95.71453	0.6
97.06525	3.9
98.20738	0.8
98.97543	0.7
100.07609	2.5
105.07021	3.4
105.66559	0.6
107.08579	16.0
109.06509	3.4
109.10148	2.4
111.04424	100.0
111.08057	3.4
111.11703	0.9
112.04755	1.1
113.05990	2.0
116.97209	7.5
116.98580	1.1
117.06995	1.4
119.08553	1.4
121.06483	2.6
121.10140	2.6
122.07233	0.9
123.08020	0.7
125.05975	26.0
127.07564	3.5
127.08338	0.6
130.07770	1.5
131.99551	1.4
134.99681	0.9
135.07077	1.1
135.08046	16.1
135.11670	18.9
137.13245	2.1
139.07487	3.4
145.10101	16.6
152.96898	1.8
153.12756	4.9
158.15366	0.8
163.11159	22.9
175.98544	7.4
181.12213	39.4
182.12587	0.9
187.22061	0.6
199.07195	0.7
199.13290	1.0
199.18863	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88401	0.4
57.07047	0.5
58.99851	0.5
63.09999	0.4
69.03422	0.5
69.53239	1.3
69.53671	2.1
70.95856	8.7
71.89693	0.4
72.71255	0.4
72.93775	4.5
73.02892	0.4
77.00893	0.5
82.01431	0.4
82.99822	0.4
84.08141	0.8
84.11015	0.4
88.46781	0.3
88.96887	2.0
90.94795	0.9
97.02924	0.4
97.03786	0.4
98.20795	0.7
100.02464	1.5
101.00852	3.1
102.02225	1.4
103.02450	0.7
111.98468	8.6
113.96362	1.4
114.04027	2.0
118.03465	0.8
119.01908	18.1
120.02017	0.6
120.03257	0.6
129.99501	6.6
131.01910	0.4
131.97433	0.8
132.05055	28.7
132.95815	12.3
133.03448	1.5
133.05127	0.7
133.10139	0.4
137.02945	6.2
142.03429	0.6
145.03374	0.4
147.03783	5.5
147.04906	0.5
150.03111	0.4
150.06102	22.0
150.96872	29.9
151.04414	0.7
151.06297	0.5
155.01860	0.4
155.06677	0.6
155.97406	12.7
156.05008	5.9
165.04828	3.4
168.97937	1.2
170.02876	0.4
173.02925	0.9
173.07724	0.7
173.98479	25.9
174.06105	100.0
174.98630	0.7
175.04790	0.6
175.06242	3.0
179.10638	0.6
187.04539	0.5
191.99547	0.6
192.07146	30.7
193.05600	0.7
193.07339	0.8
197.00165	1.5
197.02933	0.5
197.04643	0.4
197.07745	3.4
197.11685	0.5
198.18538	1.5
215.03918	0.5
215.05728	0.5
218.92943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
53.03929	0.8
55.05503	0.2
64.14013	0.2
69.07033	0.4
69.44123	2.2
77.03922	0.6
79.05485	1.9
81.07083	0.3
84.08099	0.3
85.77071	0.2
89.03925	1.1
89.06013	0.3
92.02622	0.5
93.07030	0.6
93.72469	0.2
95.04963	2.2
95.08574	0.3
105.03354	0.6
105.04495	0.5
107.04918	0.5
107.08553	0.3
109.98890	0.4
117.03371	2.0
121.10123	0.4
125.48798	0.3
130.96297	0.3
133.01834	0.5
133.02823	6.9
134.56483	0.2
135.04391	7.1
135.11699	0.3
136.19595	0.2
145.02814	4.5
148.97321	1.0
149.05959	1.3
149.13223	0.4
153.97794	0.4
158.28331	0.2
159.11661	0.3
163.03868	100.0
164.04230	1.3
171.98946	0.7
177.05447	7.2
186.05399	0.3
195.06503	0.8
195.13742	0.3
195.15746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.17376	0.7
53.03938	2.4
55.01863	3.4
55.05501	17.4
57.03425	4.8
57.07063	1.5
59.04991	0.7
65.03920	2.6
67.05492	67.2
68.05832	0.7
68.96326	2.3
69.03416	2.0
69.07053	19.3
70.06548	1.1
70.07908	3.6
70.94269	1.0
71.01346	1.8
71.04978	6.2
71.08607	0.9
72.93773	1.8
73.02885	1.2
77.03916	1.4
79.05478	42.5
80.05811	1.0
81.03409	11.6
81.07040	100.0
82.06554	1.7
82.07368	1.0
83.04958	8.9
83.08601	14.9
84.08121	3.6
85.02878	1.5
85.06526	5.1
86.09676	1.0
87.04458	0.8
89.03899	6.7
89.06011	3.4
91.05461	39.8
92.05772	0.9
93.07026	63.0
94.07320	0.9
95.04953	11.2
95.08586	32.2
97.06503	11.7
97.10147	0.8
99.08047	1.5
103.05424	1.8
105.03349	0.7
105.04512	0.9
105.07013	12.0
107.04929	4.7
107.08569	30.9
109.06476	3.9
109.10148	3.4
109.98920	1.8
111.04443	0.8
111.08060	6.5
113.06012	0.7
113.96384	2.6
115.05404	0.7
117.03355	14.7
117.06992	14.1
119.04857	0.8
119.08572	3.0
121.06469	5.9
121.09333	1.1
121.10125	12.3
123.08051	1.5
123.11696	3.1
125.05939	0.9
125.07082	0.9
125.09643	1.1
128.00002	1.2
129.07011	1.4
130.07738	0.8
130.96269	2.2
131.08533	13.9
131.96140	1.9
131.97401	3.7
133.02805	4.4
133.06465	9.2
133.10100	26.9
134.03610	1.9
135.04401	7.9
135.08037	3.8
135.11664	27.8
137.09647	1.0
139.07484	0.9
139.11171	1.0
145.02815	31.8
146.03180	1.6
147.11595	0.7
148.97321	6.3
149.05936	9.2
149.09549	1.7
149.12030	1.2
149.13229	21.4
149.97122	3.4
151.03937	0.7
151.11180	4.8
152.04726	0.8
153.09042	0.8
153.97839	3.5
154.97760	1.0
159.11662	18.0
162.03148	1.4
163.03870	54.4
164.04236	1.8
167.07018	0.8
168.10121	2.2
171.98970	5.5
172.98755	2.5
177.05437	45.4
177.12724	11.6
177.16324	1.6
178.05801	1.6
180.20546	0.7
186.05486	1.8
195.00598	1.5
195.02783	1.6
195.06467	4.7
195.08356	1.2
195.10080	0.9
195.11841	1.2
195.13757	24.8
195.15483	1.5
196.09631	1.5
204.34470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.62833	1.0
53.03932	1.9
55.01842	1.7
55.05503	18.1
57.03416	1.8
57.07050	2.9
59.04976	4.3
65.03922	2.5
67.05498	15.5
69.03407	4.8
69.06715	1.9
69.07059	23.7
70.06590	10.6
71.04989	9.0
72.04139	1.7
72.04508	19.5
79.05478	16.6
81.03395	1.4
81.07051	25.9
83.04953	4.6
83.08604	11.4
84.08125	5.3
85.06524	5.0
86.09698	2.1
87.04457	3.3
89.97987	1.1
91.05459	18.3
93.07033	29.7
95.04947	10.2
95.08593	31.9
97.06529	10.8
97.10152	2.1
99.04413	2.0
99.08051	6.1
103.05468	6.8
105.07017	68.2
107.04931	1.9
107.08583	41.3
108.04501	2.7
109.06508	23.2
109.10144	31.6
111.04448	1.7
111.08085	6.9
111.11678	5.6
111.23252	1.2
112.08682	1.4
115.05439	8.6
117.07001	2.6
118.04143	2.2
119.04910	2.0
119.08569	46.6
120.08076	2.9
121.06473	1.8
121.10127	13.4
123.08049	20.5
123.11684	9.5
129.06935	1.3
129.10193	1.8
131.04901	1.8
131.08554	5.2
132.05669	1.4
133.02827	7.3
133.06468	33.1
133.10115	100.0
135.08023	3.4
135.11670	62.7
136.06149	1.2
136.07523	2.3
136.12065	2.1
137.05943	5.4
137.09595	17.8
143.06033	2.4
145.10011	3.0
146.97401	6.0
147.04478	1.6
147.08020	2.5
147.11679	17.6
148.07520	1.4
149.02296	2.6
149.05948	1.9
149.09560	1.8
149.13255	6.2
150.03104	2.6
151.07509	5.3
151.11156	7.2
151.14801	2.0
157.10094	2.5
161.05966	35.0
165.05429	2.7
165.12708	2.2
166.08624	3.6
169.99092	3.5
175.07465	2.0
175.11192	5.4
175.14815	56.0
176.15121	1.7
178.02557	7.3
193.03328	1.3
193.04924	31.8
193.06560	1.5
193.08519	20.2
193.10092	2.9
193.12010	10.4
193.15858	62.2
193.17493	2.7
194.08089	5.4
194.11731	2.6
194.15315	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	195.0649
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03933	0.5
55.05499	0.8
58.14364	0.3
59.90779	0.3
69.07066	0.5
69.51481	3.1
70.06075	0.3
78.04705	0.7
79.05483	0.9
81.07027	0.6
83.04957	0.6
84.08152	0.8
86.09630	0.4
89.03902	16.9
89.06020	0.4
89.89439	0.3
91.05487	1.7
93.07040	1.2
95.04950	0.6
95.08572	0.3
103.05470	0.8
106.04150	0.9
107.04955	1.0
107.08579	0.7
111.04424	0.5
117.03362	38.3
118.03652	0.5
119.04939	0.4
119.08545	0.4
121.06489	0.7
121.10124	0.6
124.05196	0.4
131.08580	0.4
134.03607	5.6
135.04399	5.4
135.11670	0.5
137.09615	0.4
145.02824	74.9
146.03165	1.0
147.04395	0.3
149.05959	17.0
149.09576	0.7
153.05447	0.7
153.86209	0.4
162.03111	1.4
162.55316	0.3
163.03870	7.5
171.98933	0.4
177.05443	100.0
178.05750	1.5
186.05467	1.1
195.06500	1.4
195.08109	0.3
195.10114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.122
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03926	3.6
55.01859	1.4
55.05490	5.1
57.03429	11.2
57.07076	1.6
59.04994	6.4
66.14796	1.4
67.05502	6.0
69.03416	6.8
69.07043	4.6
69.20135	1.1
69.85992	6.4
70.06573	3.9
71.04970	5.7
72.80830	1.1
79.05492	7.8
81.07040	35.5
83.04971	16.6
85.02882	2.5
85.06516	2.3
91.05473	9.3
93.07030	7.8
95.04960	7.0
95.08571	6.3
103.05480	1.5
105.07005	18.0
105.77331	1.2
107.08563	14.3
109.06496	82.6
109.10127	4.4
110.07307	2.8
111.08056	2.6
117.07030	2.0
117.65310	1.2
119.08559	38.7
121.06470	4.9
121.10117	2.7
123.08047	14.0
123.11689	5.3
133.06454	4.1
133.10109	10.2
135.08026	23.1
137.05954	10.4
137.09596	11.1
137.13197	2.0
142.07738	4.1
145.06444	5.1
146.07208	2.8
147.08020	6.8
147.11658	23.8
149.09662	2.0
149.87909	1.2
151.07491	1.2
151.11154	25.9
157.10114	3.6
158.77716	1.3
159.08009	1.6
160.08792	22.4
160.84021	1.5
161.05305	11.8
165.12752	5.9
175.11156	97.4
178.02641	2.2
193.04956	3.0
193.08112	4.1
193.12207	100.0
194.12544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.51878	1.8
55.05484	10.1
55.66085	1.9
57.07040	4.6
59.04985	4.1
64.85667	1.9
67.05493	12.0
67.80567	2.2
68.60290	2.1
69.03395	4.9
69.06728	2.4
69.07062	30.3
70.06588	5.1
71.04980	15.2
71.75924	3.7
79.05476	8.6
80.04996	4.4
81.07047	23.5
83.04974	4.2
83.08595	3.0
85.06535	10.4
87.04442	9.0
90.80756	2.3
91.05458	9.9
93.07027	25.3
95.04958	33.1
95.08606	25.2
97.06513	4.9
97.10159	9.3
98.06023	3.1
99.08067	9.5
105.07029	20.1
107.08591	30.0
108.04469	4.4
109.06501	100.0
109.07250	4.9
109.10133	20.8
110.06042	2.4
111.08053	7.5
111.11682	3.2
119.04716	2.1
119.08560	29.8
120.08102	2.8
121.10111	7.1
123.08053	9.8
123.11687	25.6
132.65350	2.2
133.02850	9.6
133.06474	6.4
133.10103	26.5
134.05952	3.0
135.04478	2.5
135.11665	38.7
136.07637	5.2
137.05957	4.2
137.09595	18.6
146.97397	4.7
147.11679	6.1
148.07570	5.0
149.02321	2.8
149.05983	4.9
149.13292	10.8
151.11156	6.1
161.05965	8.5
166.08572	11.1
169.99080	4.4
175.14799	45.6
178.02608	6.7
180.79761	2.3
193.04932	39.9
193.06680	2.7
193.08426	4.0
193.10237	3.1
193.12216	6.2
193.15865	93.9
193.17601	4.2
194.08098	8.4
194.15375	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	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.95068	0.8
55.05490	3.3
57.07058	2.9
59.04982	2.6
59.92308	0.8
67.05495	7.4
69.03436	1.1
69.07060	7.5
70.06581	5.2
71.14928	1.9
78.30611	0.7
79.05463	2.1
81.07047	5.4
82.10974	0.7
83.04967	1.5
83.08601	2.4
85.06524	1.4
86.09737	0.7
87.84352	0.9
91.05458	7.8
93.07034	7.3
95.04958	1.2
95.08589	17.4
97.02929	0.9
103.05461	1.3
105.07018	15.4
107.08579	6.4
109.06503	1.8
109.10143	17.4
116.43662	0.6
117.06993	1.1
119.08567	50.1
120.08845	0.9
121.10133	3.1
123.08041	2.7
123.11649	2.1
131.08533	1.7
133.02887	1.0
133.06534	4.1
133.10115	60.7
134.10670	1.0
135.11655	15.8
136.07541	1.5
137.09610	6.9
145.10103	3.1
147.11671	13.7
149.05800	1.0
149.13252	3.9
151.11150	1.1
151.14812	5.7
159.11699	0.8
160.12459	2.2
161.05884	2.6
173.13219	1.3
175.14806	100.0
176.15143	3.4
193.04991	3.8
193.08537	2.2
193.15869	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	193.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	18.1
57.07064	2.2
59.04979	2.0
67.05493	3.1
70.06584	2.9
71.66179	1.6
71.66550	1.6
71.95251	2.8
79.05482	2.7
81.07048	5.8
87.04467	1.9
87.72157	1.3
91.05457	3.3
93.07043	3.5
94.04185	3.5
95.04938	1.8
95.08585	4.2
96.98363	1.5
99.00853	1.4
99.08068	1.5
99.57706	1.2
105.07011	8.8
107.08600	3.0
108.22769	1.2
109.06496	1.6
109.10147	2.9
114.99390	1.9
119.08569	4.9
120.08108	1.4
122.03597	8.7
133.00421	1.9
133.02823	6.6
133.06471	4.4
133.10123	6.0
135.11697	4.1
137.05959	100.0
137.09615	1.6
138.06325	6.9
146.97438	5.5
147.11694	3.6
149.02351	1.4
161.05960	5.0
166.08647	2.1
169.98990	2.9
175.11139	2.1
175.14771	4.0
178.02626	4.7
181.58554	8.2
190.59106	4.9
193.04930	24.9
193.06682	1.6
193.09537	2.3
193.12239	5.8
193.14192	1.6
193.15877	5.3
193.17575	1.5
194.08018	2.2
194.11790	4.4
194.15382	4.9
199.59567	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	193.0971
Annotation	3-Hydroxy-11-norcytisine
Peak:m/z	Relative Intensity
56.05025	1.5
65.82856	0.5
69.07047	0.7
70.06584	11.9
70.09190	2.5
72.08141	0.8
76.03993	58.7
84.08142	1.2
86.09684	1.6
91.05466	89.0
92.05798	1.1
103.05407	0.8
105.07018	1.2
112.08749	0.9
118.05703	1.1
118.06527	17.3
119.04955	0.8
133.02859	1.6
133.06444	0.7
136.06178	3.2
136.07562	2.2
147.04468	1.0
147.09151	20.3
148.07564	3.1
161.02214	1.0
165.05472	0.6
175.08643	0.8
175.11909	1.2
176.07028	5.4
178.02625	0.7
187.93518	0.6
193.04979	3.7
193.09702	100.0
194.10065	1.6
200.53526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.122
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.12133	1.1
53.03923	5.0
55.01845	1.6
55.05504	6.2
57.03196	1.1
57.03426	13.4
57.07072	1.7
59.04983	7.5
59.40969	1.1
61.41905	1.1
65.03925	1.8
67.05495	8.1
69.03437	6.4
69.07040	3.7
69.64541	1.1
69.64873	9.2
70.06590	9.4
71.04973	5.9
71.76798	1.1
79.05479	10.4
81.07040	41.7
82.88864	1.0
83.04964	15.4
84.08153	2.2
85.02882	3.3
85.06513	1.8
86.09682	2.4
86.10188	1.1
86.80022	1.1
91.05458	11.5
91.75481	1.3
93.07037	7.1
95.04947	5.4
95.08595	6.0
97.06538	1.6
103.05427	1.6
103.75481	1.0
104.99345	1.0
105.07014	19.9
107.08572	13.7
109.06499	78.7
109.10145	6.2
110.07272	3.1
111.08054	2.6
117.07034	1.9
117.73444	1.0
119.08562	41.1
121.06483	4.7
121.10101	2.4
123.08043	13.4
123.11665	3.8
129.06964	2.4
131.04941	1.6
131.08542	1.1
133.02849	1.8
133.06448	4.8
133.10124	13.6
135.08034	23.2
137.05940	12.0
137.09579	15.8
137.31149	1.2
142.07738	2.3
145.06473	6.0
145.95120	1.1
146.07207	5.0
147.08020	7.9
147.11662	22.8
149.09560	1.5
151.07573	1.2
151.11148	26.5
157.10094	4.4
160.08815	27.2
161.05930	3.5
161.21251	1.1
165.12691	5.6
171.78282	1.4
175.11148	98.4
176.11420	1.3
178.02563	3.4
190.21725	1.1
193.04965	9.3
193.08577	3.8
193.12210	100.0
194.12476	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	192.0765
Annotation	Carbendazim
Peak:m/z	Relative Intensity
59.04984	0.2
63.39977	0.2
63.46463	0.1
69.00933	0.2
70.06567	0.4
70.77243	0.5
71.04987	0.2
72.08093	0.2
72.68226	0.1
81.07034	0.2
84.08131	0.3
86.09691	2.4
91.05451	0.4
92.05013	0.2
93.04478	0.2
105.07018	0.3
107.04842	0.2
109.06493	0.4
110.07152	3.1
119.08565	0.3
120.08134	0.2
132.05545	2.1
133.02766	0.2
133.06390	0.5
134.10533	0.2
135.05484	0.3
135.08009	0.2
145.94716	0.2
146.05997	0.9
156.07663	0.2
160.05040	100.0
161.05399	1.1
164.07071	0.2
174.13458	0.1
175.11189	0.5
192.07657	27.8
192.17462	0.5
193.04932	0.5
193.07985	0.4
193.12241	0.4
201.79605	0.2
211.77751	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	192.0687
Annotation	N-Acetyl-DL-methionine
Peak:m/z	Relative Intensity
52.12405	0.8
52.23709	0.8
55.15502	0.9
56.05029	59.9
57.03410	1.2
61.01143	39.7
68.05010	5.2
69.76205	6.2
69.81490	0.7
70.06574	3.8
72.08141	1.1
72.39867	0.8
74.02419	4.4
74.06071	3.6
83.04996	1.2
84.04501	1.8
84.08131	3.5
84.09203	0.8
85.02899	1.0
86.09678	4.3
86.99023	1.1
87.02674	2.6
88.03994	1.2
97.31149	0.7
98.06042	69.2
99.06417	1.1
100.02171	1.0
102.05531	10.6
104.05316	100.0
110.07150	3.2
111.63080	0.9
121.08435	0.9
132.95831	1.8
133.03178	32.5
144.06541	76.9
146.02718	1.7
146.06319	17.3
147.04430	1.2
150.05826	45.0
150.96852	4.8
156.07657	2.1
160.05081	0.9
164.07094	0.9
174.05867	1.3
174.09045	0.8
175.03928	0.8
177.94933	0.9
192.06735	2.7
192.10161	2.0
192.13731	1.0
192.17461	2.2
193.04974	3.1
193.08542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40113	1.5
55.01848	3.1
55.05488	7.7
57.07067	2.3
57.27779	1.5
57.96593	1.7
59.04988	2.7
67.05492	15.8
67.21334	1.6
68.05832	1.6
69.03413	3.4
69.07050	10.3
70.06573	3.4
70.61412	3.7
70.61818	3.2
71.04983	18.2
72.01721	1.6
79.05473	9.6
79.40429	1.6
81.07043	17.3
83.04970	2.0
83.08587	4.6
84.08124	6.2
85.06528	5.5
91.05453	17.9
93.07018	15.8
95.04956	12.4
95.08581	17.0
97.06512	8.2
99.90562	1.6
100.07581	4.2
103.05450	3.1
104.53781	1.6
105.07006	43.5
107.04947	2.0
107.08576	27.9
109.06499	61.0
109.10132	55.0
110.10419	1.8
111.08078	2.3
115.05408	3.4
116.06191	1.8
117.06995	6.7
119.08552	21.0
120.08074	9.5
121.06487	5.5
121.10126	13.9
123.08032	16.4
123.11674	3.2
129.06969	4.2
129.13933	1.6
130.07729	2.0
131.08539	53.1
133.10098	100.0
134.10419	1.6
135.08025	63.7
135.11641	2.3
138.23244	1.8
143.08521	7.2
144.09329	2.0
145.10088	20.0
146.12717	1.8
147.11674	29.0
148.12012	2.0
149.09608	10.5
149.13229	10.0
150.10344	3.1
158.10866	12.0
160.05038	8.2
161.09683	2.4
161.13167	1.8
163.14742	3.1
173.13231	59.6
176.12022	2.4
191.06985	2.7
191.10606	3.6
191.14276	85.9
192.14586	2.4
192.17516	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	192.0653
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
55.01852	0.3
55.05497	0.4
56.05014	0.2
58.99562	0.3
59.04981	0.3
65.03926	0.2
67.05497	0.4
69.03400	0.3
69.07056	0.8
70.06587	2.1
71.69069	0.4
72.08127	0.4
79.05447	0.5
80.05002	0.2
81.03405	0.2
81.07031	0.5
83.05053	0.2
84.04494	0.3
84.08133	1.8
86.09685	1.4
87.04424	0.2
88.03989	0.3
89.60848	0.2
91.05489	1.1
93.05750	0.3
93.07005	0.4
94.06560	0.4
95.04955	0.6
96.48409	0.2
100.02183	0.4
100.07610	0.4
103.05433	0.3
104.06911	0.2
105.03371	1.8
105.07015	1.3
106.06552	0.5
106.07342	0.5
107.08553	0.2
108.08102	1.0
108.08864	0.2
109.06479	0.4
110.06040	0.4
110.07134	1.6
112.11263	0.2
115.05495	0.2
115.08669	0.3
118.04128	0.2
118.06531	1.1
118.07304	0.4
119.04898	0.6
119.08546	0.6
120.08077	0.4
120.08904	0.5
122.06014	0.8
124.03960	0.2
129.10220	0.6
132.08864	0.4
133.02832	0.5
133.06461	0.6
133.10109	0.4
134.06003	4.8
134.10475	0.3
136.07532	2.4
136.08418	0.3
137.05977	0.4
146.02669	0.5
146.04662	0.2
146.04874	0.3
146.05861	1.5
146.06879	0.5
146.10513	0.3
147.06776	2.3
147.07932	0.3
148.07497	0.4
148.11989	0.3
149.04706	0.5
150.09955	0.5
150.96828	0.4
156.07655	0.9
160.05025	0.5
161.05898	1.0
162.05490	1.1
163.06216	0.5
164.07043	23.8
165.07452	0.4
169.03288	0.2
174.05446	0.6
174.13576	0.6
175.06253	0.3
175.11093	0.4
178.02596	0.7
192.06526	100.0
192.13847	0.9
192.14423	0.8
192.17433	1.2
193.04935	2.0
193.06842	1.6
193.08418	0.4
193.12193	0.8
198.62143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03923	1.5
55.01842	0.9
55.05498	8.1
57.02461	0.9
57.03422	1.5
57.07063	1.8
58.12561	0.7
58.99572	2.0
59.04997	1.5
61.84568	0.9
65.03922	1.4
65.07704	0.8
67.05206	0.9
67.05501	9.7
68.05853	1.0
69.03420	17.0
69.07059	14.4
69.58382	4.1
69.58814	3.5
70.03722	0.8
70.06572	3.0
71.04987	9.7
75.09995	0.7
79.05479	12.0
81.07046	18.5
83.04990	5.2
83.08597	2.4
84.08120	3.9
85.06526	4.1
86.09684	3.3
86.99001	1.2
87.05599	1.0
87.10028	3.2
91.05466	26.5
93.07035	12.8
95.04959	4.0
95.08589	17.8
97.06505	4.8
100.07590	1.0
103.05433	4.8
105.07018	58.2
106.07350	1.0
107.04944	1.9
107.08580	23.0
109.06516	8.3
109.10155	5.8
110.07141	2.1
111.08064	1.9
113.07023	0.8
115.05427	2.4
116.06208	2.7
117.06995	10.0
118.04189	1.2
119.08563	44.7
120.08079	3.7
121.06487	4.3
121.09279	1.6
121.10126	19.3
123.08032	6.3
123.11612	0.9
128.06180	1.3
129.06978	6.4
130.07771	3.9
131.04903	2.6
131.08553	39.8
132.09383	1.1
133.10115	22.6
134.07301	0.9
135.08043	19.9
135.11652	3.2
137.09579	1.3
138.46622	0.8
141.03070	0.8
143.08546	12.3
143.48251	0.8
144.09308	3.8
145.06392	1.3
145.10110	28.5
145.11261	1.7
147.11668	100.0
148.12022	1.8
149.09602	10.4
149.13248	9.4
150.10335	1.9
155.14297	2.9
158.07172	0.7
158.10890	12.4
160.05034	20.3
161.09599	1.7
163.07550	3.5
163.11192	3.0
163.14780	3.5
171.11824	1.0
172.64258	0.9
173.05956	1.2
173.09610	1.5
173.13246	35.3
174.06572	2.2
174.13608	1.1
176.04749	0.8
176.11929	1.7
191.06995	4.4
191.09215	1.7
191.10712	4.1
191.14288	79.4
192.07710	5.1
192.14565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01846	4.4
55.05505	6.9
57.03408	1.8
58.06566	1.5
59.04977	2.2
65.03928	1.8
67.05492	20.9
69.03423	6.9
69.07063	10.7
70.06564	3.4
71.04612	1.3
71.04986	22.8
72.08163	1.9
79.05473	14.4
81.06667	1.3
81.07050	16.5
83.04974	2.8
83.08596	3.7
84.08134	7.5
85.06526	5.7
87.63882	1.3
91.05472	19.5
93.07033	15.1
94.18880	1.3
95.04954	14.8
95.08605	14.1
97.06512	6.5
98.09670	3.5
98.20800	2.5
98.28042	1.4
100.07617	9.1
103.05450	2.5
105.07017	34.9
105.14461	1.2
107.04929	5.7
107.08582	32.2
109.06508	89.2
109.10147	82.0
112.11217	2.4
115.05471	1.4
117.06995	8.9
118.07744	1.3
119.06048	1.4
119.08562	10.9
121.06493	10.1
121.10139	26.4
123.08057	18.7
123.11719	1.3
129.06982	4.8
130.07811	3.4
130.40869	1.6
131.07597	2.7
131.08556	51.5
133.06519	2.2
133.10114	81.4
135.08041	79.7
135.11678	4.7
137.09615	7.8
143.08533	5.6
144.09273	2.3
145.10104	27.1
147.08012	2.1
147.11647	9.6
148.08772	2.1
149.05939	1.6
149.08760	1.2
149.09625	11.9
149.13197	10.9
150.10382	2.5
158.10886	9.4
161.09528	2.6
163.11169	5.1
163.14784	2.2
167.84090	1.2
173.09650	3.6
173.13246	50.5
174.13597	2.3
176.11935	2.3
182.66940	1.6
191.07013	3.4
191.10658	15.0
191.14284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03924	1.2
55.05305	0.7
55.05503	8.7
57.07065	1.4
67.05515	4.3
67.53251	0.9
69.03419	25.7
69.07067	16.0
70.44787	3.9
71.04986	2.2
76.60772	0.8
79.05480	10.2
81.07037	8.6
83.04955	4.3
83.08643	1.1
84.08161	0.9
85.06522	2.0
85.79784	0.8
91.05476	21.3
93.07030	12.0
95.04951	2.6
95.08603	10.0
97.06514	3.9
103.05447	3.4
105.07020	70.4
107.04934	3.1
107.08589	26.4
109.06510	9.0
109.10137	2.8
111.08083	5.3
115.05432	1.8
116.06171	2.0
117.07010	9.3
119.08570	100.0
120.08871	1.3
121.06538	4.2
121.10131	14.6
123.08064	5.8
129.06995	1.4
130.07832	1.0
131.04900	1.1
131.08557	14.3
132.09335	2.0
133.10118	10.0
135.08041	20.2
135.11690	4.9
137.09587	1.1
143.08508	2.6
145.06473	1.0
145.10103	12.2
147.07948	1.3
147.11671	44.4
149.09605	35.3
149.13234	4.0
150.10345	2.6
158.10918	7.0
160.05086	6.8
161.09570	2.4
163.11130	3.0
163.14777	2.5
173.13243	26.4
173.14670	1.8
176.11919	1.7
191.14291	75.2
191.55743	0.8
192.07779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01855	1.6
55.05494	6.1
57.07061	1.1
67.05500	6.4
69.03421	100.0
69.07062	16.2
69.57172	8.0
70.06576	1.1
71.04989	5.7
79.05489	10.9
81.07043	14.8
83.04958	4.7
83.08610	1.6
84.08144	2.9
85.06516	2.4
91.05466	11.7
93.07038	16.4
95.04949	4.4
95.08602	10.7
97.06508	4.9
98.20786	2.1
100.07591	1.2
103.05466	1.6
105.07020	23.0
107.04919	4.6
107.07861	1.9
107.08578	31.5
109.06509	12.2
109.10132	10.0
111.08044	5.6
117.06979	4.2
119.08565	11.6
121.06509	13.4
121.10127	22.5
122.07253	1.2
123.08041	8.3
128.23511	0.9
129.06972	1.6
130.07706	1.2
131.04881	1.1
131.08545	21.6
133.10115	65.9
135.08032	30.8
135.11659	8.6
137.09595	9.6
143.08521	3.3
144.09352	2.1
145.10100	16.8
147.07996	1.7
147.11673	9.0
149.09596	11.0
149.13225	11.1
150.10233	1.1
158.10910	5.3
163.11127	10.2
163.14845	5.1
173.09618	3.6
173.13237	27.4
176.11935	1.3
176.68300	1.0
191.07068	2.5
191.10680	12.6
191.14284	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03933	3.0
54.24852	0.9
55.05505	7.1
57.07048	2.8
65.03931	0.9
66.54800	0.9
67.05495	6.5
69.03420	23.7
69.07060	6.5
71.00439	2.4
72.95869	0.8
74.80110	0.8
79.05478	36.6
81.07041	38.3
83.04966	11.0
83.08569	1.2
84.08123	1.3
85.06517	2.3
87.14832	0.8
91.05458	15.2
93.07024	13.4
95.04943	2.5
95.08559	4.9
97.06503	2.2
100.07617	1.2
102.64035	0.9
103.05437	1.1
105.07007	15.4
107.04942	24.0
107.08574	61.5
109.06493	6.1
109.10133	7.3
110.07224	1.3
111.08063	1.8
115.05405	1.1
117.06986	2.3
119.08551	5.7
120.74668	0.9
121.06479	8.8
121.10114	18.5
122.07243	3.8
123.08018	3.2
129.07024	1.5
131.08542	10.7
133.10104	100.0
134.10440	2.2
135.08046	9.8
135.11636	2.8
136.08705	1.0
137.09592	28.0
143.08501	1.8
144.09332	0.9
145.10083	4.8
147.11610	5.0
149.09586	3.8
149.13229	13.1
151.51775	0.9
158.10867	5.5
163.14792	3.9
173.13246	17.4
186.02435	1.0
191.14272	58.5
192.14749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
53.21107	0.5
55.05503	5.4
57.03426	1.0
57.07063	1.8
57.24490	0.5
64.57631	0.6
64.83232	0.7
65.03955	0.5
67.05492	5.5
69.03420	18.2
69.07066	4.5
70.78592	0.5
71.04979	1.1
73.04749	0.5
74.55637	0.4
79.05484	24.4
81.07047	22.5
83.04964	7.3
83.05418	1.0
83.08607	1.4
84.08120	1.0
85.06540	1.3
91.05466	10.3
93.07032	10.5
95.04939	2.5
95.08606	4.1
97.06521	1.3
100.07634	1.1
103.05457	1.2
104.19537	0.6
105.07024	14.1
107.04939	16.3
107.08581	42.5
109.06496	5.0
109.10151	7.9
111.08067	1.1
115.05418	0.8
117.07029	2.3
118.07739	1.0
119.08549	4.8
121.06493	5.6
121.10129	15.3
122.07273	2.8
123.08043	2.9
129.07022	1.3
131.08540	8.3
133.10112	100.0
133.92430	0.5
134.10463	1.5
135.08043	8.2
135.11676	2.5
136.08800	0.7
137.09599	22.1
143.08519	2.5
144.09267	0.9
145.10123	3.9
147.11627	3.2
148.08762	0.5
149.09639	2.8
149.13243	10.9
158.10913	3.3
161.09660	0.6
163.11133	0.6
163.14810	2.5
173.13246	12.9
176.11964	0.6
191.07088	0.8
191.10663	1.7
191.14285	44.7
192.14590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03828	0.3
51.83272	0.3
53.03933	0.7
55.05502	2.5
57.00907	0.3
57.03432	0.3
57.07061	0.7
67.05496	2.1
69.03419	8.6
69.07054	2.8
70.78685	1.2
71.04977	0.5
79.05484	4.3
81.03418	0.4
81.07041	4.5
83.04963	1.6
83.08594	0.8
84.08138	0.9
85.06531	0.4
91.05466	4.9
93.07031	4.4
95.04945	0.4
95.08592	2.3
97.06532	0.3
100.04036	0.3
100.07594	0.9
103.05442	0.8
105.07014	9.3
107.04929	1.7
107.08575	15.4
107.09308	0.7
109.06509	2.0
109.10139	5.4
110.07168	0.4
113.51048	0.3
115.05424	0.7
117.06995	1.5
118.07751	1.0
119.08564	3.6
121.06482	0.9
121.10126	11.1
122.07266	3.2
123.08033	1.5
129.06915	0.6
131.08537	5.3
133.10110	100.0
134.10458	1.4
135.08040	4.4
135.11639	2.2
137.09593	20.8
143.08548	1.2
144.09271	0.5
145.10062	2.8
147.11678	2.4
149.09605	1.9
149.13248	9.1
158.10870	2.5
163.11259	0.3
163.14792	1.6
173.13234	10.5
191.06876	0.5
191.10654	0.6
191.14285	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.0
57.03412	0.7
57.07068	0.9
67.05502	2.4
69.03420	7.7
69.07053	3.6
71.04972	1.6
71.59088	1.0
73.33132	0.5
79.05474	4.9
81.07030	4.0
82.09631	0.4
83.04964	0.9
83.08604	1.1
84.08138	2.2
85.42432	0.5
91.05465	5.6
93.07027	3.5
95.04955	1.2
95.08588	2.3
97.06510	0.7
98.09686	0.7
100.07609	2.1
103.05448	0.6
105.07007	10.1
107.04954	2.4
107.08570	14.9
109.06498	4.5
109.10139	7.6
115.05450	1.1
117.07001	1.6
118.07771	0.9
119.08573	4.0
121.06506	1.4
121.10133	10.3
122.07238	2.7
123.08049	2.0
130.26230	0.5
131.08534	6.7
133.10104	100.0
134.10445	2.0
135.08037	7.5
135.11665	1.5
137.09592	19.8
141.69731	0.5
143.08574	1.5
145.10081	4.5
147.11679	3.2
148.05153	0.8
149.09589	2.2
149.13242	9.3
158.10869	3.6
163.14809	1.7
173.13248	12.8
182.66858	0.6
190.81133	0.5
191.06874	0.9
191.10645	1.5
191.14273	19.0
192.14633	0.8
195.61717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	1.3
55.01860	1.8
55.05507	3.6
57.07076	1.0
67.05496	4.7
69.03420	100.0
69.07058	15.2
69.43734	7.3
69.44141	1.2
70.03757	1.2
71.04993	4.5
79.05479	4.9
81.07050	7.2
83.04962	4.3
83.08620	1.5
84.08142	0.9
85.06542	1.7
91.05473	7.5
93.07037	8.9
95.04960	3.1
95.08580	6.2
97.06532	1.9
98.20825	1.2
103.05436	0.7
103.29322	0.7
105.07008	9.6
107.04955	2.1
107.08577	23.6
109.06505	14.4
109.10143	12.9
109.10822	1.2
111.08096	1.8
115.05424	1.2
117.07030	1.8
119.08569	8.6
120.08018	0.8
121.06491	5.7
121.09297	1.5
121.10129	20.2
123.08067	6.4
131.08548	13.4
133.10112	30.7
135.08029	25.8
135.11671	8.1
137.09595	4.4
143.08542	2.0
145.10100	6.3
147.11659	10.8
149.09619	8.3
149.13260	10.7
150.10416	1.6
158.10902	4.6
161.09627	2.0
163.11171	6.1
163.14795	4.4
173.13252	20.1
176.11989	0.9
191.14281	68.9
192.14601	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	190.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.4
55.05495	7.1
55.99768	1.0
56.05012	4.0
56.11631	0.8
56.96546	2.8
57.03411	3.2
57.07051	1.8
58.06602	5.3
58.99564	2.1
59.04997	1.1
60.04495	2.5
60.05641	2.7
61.01130	1.4
67.05493	29.6
68.05009	1.8
69.03407	3.7
69.07057	51.8
69.75719	2.4
69.76134	5.2
70.06583	25.3
71.04973	7.0
71.06908	2.0
72.04482	2.4
72.08131	2.8
72.93791	2.0
73.02896	1.0
73.08484	1.9
74.06062	4.2
79.05458	3.6
81.03379	1.8
81.07034	9.3
81.38027	0.9
82.06622	0.9
84.04473	3.4
84.08136	17.0
85.02866	2.7
85.08440	1.7
86.00641	1.9
86.06033	2.5
86.09678	5.4
87.10020	6.1
88.07622	1.0
89.66968	1.0
90.94797	1.9
91.05471	6.6
91.53088	1.0
93.07033	8.5
94.06538	2.6
95.04948	1.3
95.08595	36.2
97.02880	1.2
97.06496	3.2
98.06037	7.0
98.09660	3.7
98.21523	1.1
99.04459	1.8
100.03954	2.0
100.07613	5.0
102.05514	1.7
103.05444	1.4
104.05211	1.1
105.07019	1.7
106.02897	1.9
107.04937	1.4
107.08589	2.4
109.06506	2.0
109.10140	100.0
110.07125	3.0
110.09705	1.6
110.10468	1.4
111.08044	1.4
111.11711	16.7
112.08743	1.7
113.06011	1.3
116.07062	2.3
117.06981	2.0
119.08549	9.1
120.08096	15.3
121.10098	1.2
126.03721	1.6
126.12853	2.2
127.11204	1.0
129.10194	2.7
129.88261	0.9
130.04944	1.9
130.06551	1.3
130.08646	4.7
131.04907	1.2
131.08981	1.2
134.05957	1.6
134.09613	1.1
136.11177	5.5
137.09596	26.8
144.04752	0.9
144.06514	2.0
144.07976	1.1
144.10149	1.1
145.03166	1.1
145.06467	2.6
149.02289	2.2
149.96114	1.0
154.12242	47.1
155.10641	10.7
156.07611	1.3
162.05510	4.1
167.05568	1.4
167.97224	2.0
169.03423	1.2
172.04190	1.2
172.07535	3.0
172.13298	72.2
173.11740	2.4
173.13306	1.8
175.11813	1.6
175.21797	1.0
190.04950	7.6
190.08539	6.2
190.12636	2.6
190.14354	50.6
191.03328	2.5
191.06929	2.3
191.14386	3.2
209.83760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1232
Annotation	27493-61-4
Peak:m/z	Relative Intensity
53.03908	0.3
55.05504	9.4
56.05023	0.8
57.03431	0.5
57.04549	0.4
57.05798	0.8
60.05647	2.7
60.07869	0.5
60.08158	6.4
67.05501	0.4
69.03405	0.4
69.07060	1.6
69.76161	1.7
69.76569	0.7
70.06584	14.0
72.08145	100.0
73.08485	0.6
74.07190	1.8
83.07179	0.3
84.04504	1.0
84.08131	23.8
86.09695	31.3
87.09950	0.3
90.53355	0.3
91.40733	0.3
98.21465	0.7
101.02375	0.4
112.07604	1.3
112.08715	0.5
113.07155	0.6
115.03939	0.4
115.08707	0.5
116.07079	2.8
118.08663	2.6
119.01871	0.7
126.09166	0.7
129.10222	0.7
130.05037	0.6
130.08618	13.7
130.09584	0.7
143.11752	0.5
144.11314	0.9
144.13818	0.6
172.09569	0.5
172.10814	1.0
173.02896	0.4
189.12299	2.6
189.13757	4.1
189.15915	5.4
189.17329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.1
67.05483	2.6
69.03422	6.9
69.07043	3.1
69.15894	0.7
70.06563	1.6
71.04986	1.0
71.64539	0.9
71.64911	0.9
72.08141	2.0
79.05495	3.4
81.07025	2.8
83.04941	1.5
84.08128	1.2
84.13555	0.7
85.02882	0.8
86.09684	5.2
91.05462	6.7
93.06999	4.1
95.04939	2.8
100.01073	0.7
105.07014	15.7
107.04948	0.8
107.08566	5.5
109.06521	1.3
115.05484	0.7
117.07011	3.0
119.04919	1.2
119.08562	33.2
120.13315	0.7
121.06479	2.0
121.10132	1.3
128.06224	2.2
129.06970	2.2
130.07750	1.8
130.08687	0.9
131.08537	10.1
133.06459	1.9
133.10101	13.4
135.08044	3.7
141.06941	2.8
143.08540	5.0
145.06445	2.6
145.10112	6.1
146.10876	1.2
147.08029	17.3
147.11678	17.8
148.11906	1.2
150.01735	0.7
152.27887	0.7
155.08527	0.8
156.09322	19.7
159.08017	11.0
159.11671	3.1
160.08804	5.9
161.09605	7.7
161.13231	21.8
162.13602	1.2
171.11659	22.5
172.11969	1.1
173.09573	0.9
173.19861	0.8
174.06656	0.8
174.10378	22.9
175.10709	0.8
189.09116	2.4
189.12714	100.0
190.13028	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	190.0894
Annotation	Prenisteine
Peak:m/z	Relative Intensity
53.45704	0.8
55.01860	5.9
55.05484	1.6
56.05014	1.5
57.98775	1.3
58.99577	79.5
60.05655	0.9
61.01135	1.4
65.03915	1.6
67.05495	39.1
69.03413	1.1
69.07057	18.4
69.97382	5.7
70.06579	1.9
71.04972	1.2
71.43420	1.1
73.01117	1.1
73.02858	1.0
73.08509	1.1
74.00637	3.3
76.02217	16.7
79.05457	1.2
79.30827	0.9
81.07024	1.6
84.08117	3.7
85.01114	5.1
86.09692	100.0
86.99037	32.4
87.10018	1.4
87.27713	1.1
88.02207	2.1
88.04007	4.6
91.05451	2.3
93.07021	3.9
96.08125	1.5
98.09679	3.4
99.02647	2.9
101.04221	16.3
104.99364	1.5
105.00068	17.4
105.06993	2.7
110.09660	2.7
112.11232	1.0
116.04939	1.5
117.07059	1.2
119.07281	0.9
119.08550	2.6
120.01163	2.3
120.08063	2.4
127.05754	12.8
130.07503	0.9
131.08519	1.5
144.04494	2.0
144.08395	35.3
145.10144	2.1
146.10513	1.1
147.11659	3.8
149.02325	1.5
157.09634	2.0
172.03909	3.2
172.07617	0.8
172.12030	2.7
173.06293	85.3
173.13208	1.2
176.11278	1.1
190.03484	1.3
190.05020	5.8
190.08925	50.5
190.13022	6.3
191.14253	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	189.1231
Annotation	Ile Gly
Peak:m/z	Relative Intensity
55.05489	0.9
55.42988	0.3
69.07062	0.7
70.06596	0.6
70.12594	1.2
72.07752	0.5
72.08141	9.2
78.61653	0.2
81.92875	0.2
84.08130	1.4
86.09691	100.0
87.10030	1.4
130.08629	0.7
134.83133	0.3
163.42070	0.3
189.12239	2.2
189.16023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1231
Annotation	N6-Acetyl-L-lysine
Peak:m/z	Relative Intensity
51.45386	0.3
53.59453	0.3
55.01868	3.1
55.05500	9.5
55.05759	0.6
56.05024	0.9
57.03426	4.3
57.04549	0.7
57.05819	0.6
57.23044	0.3
59.04986	0.6
60.04506	0.7
60.08153	13.7
61.02914	0.8
64.56796	0.3
67.05499	1.3
68.05032	0.3
68.99783	0.5
69.03416	1.1
69.07056	0.5
70.06577	12.0
70.41454	1.0
71.01354	1.6
71.04984	0.5
72.08140	100.0
73.01112	0.8
73.02900	2.2
73.08466	1.1
74.06068	0.7
74.07188	3.1
75.04462	0.4
82.06569	0.5
83.01333	0.6
83.04987	0.4
84.04494	2.1
84.08126	51.7
85.02890	1.5
85.06528	0.7
86.09687	6.9
87.04450	2.9
89.02405	0.5
90.05544	0.5
95.01321	0.7
97.02877	1.1
98.06037	0.4
101.00886	0.6
101.01728	0.6
101.02357	4.9
102.09146	0.4
103.02400	0.4
105.06981	0.4
111.00787	0.5
111.03014	0.3
112.07572	0.6
115.03902	4.7
115.08687	0.6
116.07074	3.1
118.08636	3.8
119.01900	2.6
121.01635	0.7
126.05495	0.7
126.09125	2.9
129.01810	1.8
129.10213	0.9
130.04982	1.3
130.08611	24.5
131.01909	0.9
132.10190	1.6
133.03433	1.0
133.06557	0.4
133.09697	0.6
136.03622	0.3
137.02892	0.7
139.00258	0.6
142.01352	0.4
143.01831	0.7
143.11790	3.0
144.11290	1.4
144.13791	1.6
145.03403	0.6
147.01314	0.4
147.11359	0.4
154.30624	0.4
157.01289	5.6
157.03343	0.5
158.09241	0.6
159.02908	0.7
161.02856	0.9
172.00557	0.5
172.10797	0.8
173.02899	0.4
175.02382	0.9
185.02892	0.7
189.02332	0.5
189.03926	0.4
189.06061	0.5
189.12227	2.1
189.13448	4.1
189.15942	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	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.50721	0.3
70.92174	0.7
70.92514	0.5
91.05475	2.5
92.52976	0.3
104.31622	0.3
108.38996	0.3
115.05431	4.4
117.05740	1.2
117.07005	4.0
118.06528	59.5
119.06844	1.0
132.08028	0.6
142.06511	5.7
143.07289	9.9
144.04433	0.7
144.08072	22.4
145.06450	1.1
145.08446	0.5
146.05989	100.0
147.06332	2.5
155.05980	0.6
160.07541	1.3
170.05992	8.6
171.06422	0.4
184.35045	0.4
188.07042	29.5
189.07480	0.5
202.14622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	0.6
69.89213	2.1
70.06580	0.7
72.08145	0.5
78.25157	0.4
82.50186	0.3
84.04487	0.9
84.08126	1.0
85.73863	0.3
86.09705	1.0
89.13425	0.4
91.05467	2.9
98.20754	0.7
103.05469	0.4
104.19697	0.3
113.32395	0.3
115.05431	5.0
117.05740	0.8
117.07013	3.0
118.06528	56.5
119.06850	1.1
129.10147	0.4
132.08128	0.6
142.06516	5.5
143.07288	9.3
143.39775	0.4
144.04390	1.0
144.08067	23.3
145.06514	0.5
145.08401	0.5
146.05991	100.0
147.06337	2.0
155.06004	0.6
157.53110	0.4
160.07570	1.1
170.06000	9.3
188.07039	31.2
189.07462	0.6
196.91429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0603
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
65.03929	0.9
67.24679	0.3
67.80492	0.3
70.06554	0.5
70.49747	0.3
71.65687	0.5
72.08142	0.5
82.06579	0.4
82.99830	0.5
85.02898	0.4
86.09708	0.9
92.05003	1.3
97.87727	0.3
101.00861	7.8
102.00920	0.3
104.04930	0.4
104.96344	0.5
108.12960	0.3
110.06023	0.9
110.07156	0.7
119.01901	46.9
120.01961	1.5
120.04455	1.4
120.08091	0.3
121.97483	0.4
122.97382	0.4
124.02407	0.9
131.01860	0.4
137.02936	16.7
138.03084	0.6
138.05473	4.3
142.03479	11.9
142.04599	0.6
143.01846	0.4
143.03621	0.7
148.03909	68.1
149.04256	0.9
156.07672	0.4
160.04536	3.6
160.95241	0.4
161.02930	5.0
162.03061	0.3
166.04974	100.0
167.05325	2.0
179.03989	7.7
179.05556	0.5
184.06020	19.7
185.06339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.52372	0.9
55.55286	1.1
56.05040	1.4
56.96552	1.0
60.08157	15.9
70.06564	1.7
70.86210	2.0
71.07349	6.4
75.85444	1.0
84.04507	1.4
86.09695	79.3
87.09998	1.1
98.06032	1.3
98.98460	12.6
101.95017	13.7
104.10712	3.9
104.57137	1.2
110.06050	1.2
119.96039	8.0
124.99989	59.2
137.97093	8.6
138.09122	2.5
140.06989	1.3
155.98102	5.1
160.98642	3.3
166.04922	1.4
166.08597	3.4
178.99695	1.3
184.00261	1.1
184.07324	100.0
184.09615	5.4
185.07704	1.4
189.87291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94061	0.6
53.03933	1.1
53.75401	0.5
55.01871	0.8
55.05499	3.4
56.05024	4.2
57.03431	1.4
57.07063	0.6
58.06585	0.9
58.09873	0.5
60.04523	1.2
60.05647	1.4
61.02922	0.8
61.54441	0.5
67.05157	0.9
67.05492	8.0
68.05027	0.8
69.03423	2.0
69.07059	2.9
69.71071	1.3
69.71500	2.4
70.02942	0.5
70.06583	38.6
71.04980	1.9
71.06918	1.1
72.04507	0.8
72.08143	8.6
72.93773	0.7
73.02900	0.8
74.06064	1.5
78.06866	0.6
79.05495	0.7
80.05013	0.8
81.03407	2.0
81.07040	2.3
82.06566	1.8
83.04956	0.7
83.08646	0.6
84.04492	6.8
84.08131	100.0
85.02890	15.5
85.06541	0.6
85.08469	1.3
86.06077	0.7
86.09693	19.1
87.04479	1.0
87.10029	2.2
88.02206	2.0
88.03993	0.7
89.03903	3.8
91.05492	1.4
92.30545	0.5
93.07058	0.7
95.04949	1.1
95.08578	1.0
96.04466	0.8
96.08125	1.0
97.00808	0.7
97.02877	1.6
97.06532	1.0
97.08868	0.5
98.02415	1.1
98.06055	2.4
98.09683	2.8
98.20603	0.5
99.04453	1.4
99.97347	0.6
100.07589	0.7
100.57924	0.6
101.07138	0.9
102.05547	0.6
103.05486	1.1
105.07037	1.0
109.02877	1.5
109.06496	0.7
109.10142	2.2
110.06014	1.0
110.07162	1.5
111.08095	0.5
112.03944	0.7
112.07603	3.0
112.08725	1.7
113.04741	0.8
113.07090	0.8
114.05520	16.4
115.08643	0.9
116.07101	1.5
117.03361	6.9
118.58627	0.5
119.02854	0.8
121.00780	5.1
121.01586	1.0
122.06029	1.2
123.08081	1.2
124.03884	0.6
124.07584	1.3
124.11208	0.7
126.05498	13.1
126.12776	60.0
127.03890	2.0
127.07587	0.5
127.08655	1.3
127.13143	1.3
128.06189	0.5
128.07010	0.6
129.10210	8.1
130.06508	0.7
130.08623	2.0
131.04918	1.5
135.04434	0.7
137.03865	0.7
138.05507	0.8
139.01794	13.9
139.02824	0.8
140.07053	5.0
140.08075	0.9
140.10626	0.7
141.06584	0.7
141.10240	0.8
142.12265	0.8
144.06573	0.9
144.10185	3.2
144.13844	0.7
145.00887	0.5
145.02832	8.5
145.04829	0.8
147.11263	1.0
147.61208	1.4
151.07500	0.8
158.05984	2.2
158.08093	1.5
158.09267	0.9
159.04550	0.7
159.08035	1.0
161.12839	1.9
163.01790	15.1
163.03821	0.7
163.97702	1.1
164.02069	0.6
165.98282	0.7
168.06528	2.2
168.10155	0.6
168.13826	0.7
169.09760	0.9
175.11896	2.1
181.02847	34.3
181.98692	1.1
182.03157	0.8
186.03479	1.1
186.05490	4.5
186.07571	7.3
186.09148	1.7
186.11215	3.4
186.14870	49.2
186.18454	1.8
187.03804	3.2
187.06123	0.7
187.07404	3.0
187.10968	1.9
187.12650	0.7
187.15092	1.0
204.04480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68140	0.3
51.88243	0.3
52.19577	0.2
57.03428	0.2
69.03405	0.4
70.06599	0.3
70.48779	1.1
70.49177	0.5
73.02908	0.3
75.19209	0.2
80.94932	0.2
82.99840	1.0
84.08141	0.4
85.02884	0.5
86.09686	0.6
100.02474	0.4
101.00862	16.7
102.00946	0.5
110.07164	0.8
119.01904	100.0
120.01977	4.0
124.02442	1.8
131.01923	0.4
133.03450	0.4
137.02937	36.0
138.03067	1.4
142.03482	24.4
142.72614	0.2
143.01892	0.8
143.03615	1.8
156.07678	1.0
156.54358	0.3
160.04539	7.0
161.02936	12.4
161.04305	0.6
162.03078	0.5
165.05092	0.6
173.02962	0.3
175.02707	0.3
179.03986	18.7
180.04129	0.5
184.04559	0.9
194.24547	0.2
202.05533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94869	1.6
78.12155	0.2
82.99841	1.1
101.00863	15.6
102.00961	0.5
119.01901	100.0
120.01953	2.8
121.02330	0.3
124.02411	1.4
137.02934	34.9
138.03062	0.9
142.03477	23.0
143.03612	1.3
160.04524	7.3
161.02934	8.1
161.04401	0.4
161.04854	0.5
165.05077	0.5
179.03981	15.1
180.04137	0.4
184.04564	0.6
190.55640	0.2
202.05620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.06740	0.2
55.86844	0.2
57.03434	0.8
58.03782	0.2
58.99852	0.4
61.02915	0.6
69.03413	1.0
70.06564	0.3
70.78480	0.5
71.07321	0.2
72.08138	0.3
73.02907	1.4
82.99798	1.2
85.02885	0.9
86.09695	2.8
95.73141	0.2
97.02887	1.0
100.02478	0.3
101.00858	18.6
102.00949	0.8
102.02232	0.2
103.02311	0.3
104.10731	0.8
107.02505	0.2
109.02951	0.2
110.07099	0.3
111.53031	0.3
119.01900	100.0
120.01969	4.3
120.03217	0.3
121.01595	0.4
121.02383	0.3
123.02899	0.3
124.02440	1.4
124.99997	1.3
131.01898	0.6
132.02095	0.4
133.01617	1.0
133.03403	0.6
136.07623	0.3
137.02930	38.6
138.03020	1.5
138.53546	0.4
139.03326	0.6
142.03474	22.3
143.01884	2.6
143.03587	1.7
144.02115	0.5
145.01704	0.3
145.03400	0.2
145.54381	0.2
146.03464	0.3
148.03885	1.2
151.02661	0.6
151.04532	0.3
155.01909	0.5
156.02007	0.4
156.03206	0.7
157.01576	0.5
160.04527	8.1
161.02925	14.9
161.04317	1.0
162.03142	1.3
162.06120	0.4
163.02827	0.3
165.05061	0.9
166.04932	1.5
173.02957	0.4
174.03055	0.8
174.04364	0.3
175.02689	0.4
179.03978	18.4
180.04111	0.7
183.06184	0.3
184.04510	0.8
184.07373	2.4
184.13319	0.7
185.02953	0.3
186.03154	0.4
187.02660	0.3
202.05632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01873	9.7
55.05503	2.8
56.05038	1.8
57.03426	25.8
57.54546	1.7
60.08140	4.0
61.02916	19.3
69.03418	35.0
69.54510	15.0
70.06601	1.8
70.56165	1.5
71.04983	3.4
72.08131	2.0
73.02904	41.1
74.17517	1.5
77.00880	2.5
81.03409	8.0
81.07001	2.5
82.99821	2.2
83.04967	5.3
84.04504	3.2
84.08134	3.4
85.02889	34.9
86.09698	14.9
87.01879	2.2
87.04468	4.5
92.05838	2.5
93.01896	1.8
93.98228	1.5
94.02641	4.0
94.52823	2.2
95.04951	5.4
96.02389	5.0
97.02879	30.7
98.21585	2.7
98.98470	8.6
99.01852	1.9
99.04433	6.3
101.00861	20.6
101.06040	1.5
101.84138	1.5
102.01026	1.8
102.02406	8.9
103.02431	2.2
104.10760	2.9
105.03400	5.8
106.02597	1.7
108.02364	2.9
109.03113	5.5
111.02908	16.3
111.04438	2.0
111.52971	2.1
113.00858	5.0
114.02397	4.3
115.02410	3.8
115.03160	4.4
115.03944	2.1
117.02922	3.5
119.01904	100.0
120.01978	3.1
120.03461	3.3
120.05225	3.9
121.01579	1.8
123.02940	11.6
123.04382	5.7
124.04786	3.5
124.99969	11.3
125.00748	1.9
127.02383	2.9
127.03912	6.4
129.02910	4.7
129.03958	1.8
129.05399	1.9
130.03683	1.9
131.01860	28.7
131.02705	3.0
132.02008	3.3
132.03407	8.9
132.53593	2.0
133.03415	4.8
135.02945	3.2
136.03656	2.1
136.07516	2.0
137.02934	32.0
137.05946	1.8
137.07898	10.7
138.03398	11.0
142.03465	28.1
143.01875	30.5
144.02054	3.4
144.03426	5.5
144.53601	2.5
145.03427	16.0
145.05016	2.9
146.03619	3.0
147.01367	4.2
147.03926	4.6
147.54004	1.8
149.02930	5.1
153.03963	3.1
155.01857	24.9
156.02045	3.8
157.03467	11.0
158.03592	2.9
160.04539	15.5
161.02922	51.9
162.03140	4.3
162.24287	1.7
163.04462	3.9
166.04816	3.0
166.05965	3.2
167.01913	5.1
173.02937	43.6
174.03096	6.1
175.04495	2.8
178.05531	3.4
179.03944	12.8
183.07652	1.7
183.11259	3.5
183.14941	4.3
184.04597	3.2
184.07404	20.6
185.02936	25.3
186.03017	3.6
187.04492	3.4
190.03302	1.7
191.04062	5.1
197.02953	3.0
203.03961	18.6
204.04239	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	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
51.45875	0.4
53.03936	0.9
55.01858	0.7
55.05504	5.5
57.03425	1.2
57.07076	2.1
58.02954	22.4
62.01402	0.3
63.03904	0.4
65.15450	0.4
67.05495	14.2
69.03408	1.7
69.07059	46.0
70.06567	1.8
70.06933	0.4
70.07381	0.9
70.26019	1.7
70.91427	0.4
71.04977	0.8
71.08614	0.5
72.08141	0.5
74.06052	1.2
75.18903	0.4
79.05474	4.5
81.07050	13.8
83.04958	1.6
83.08604	5.5
84.08138	7.6
86.06044	1.3
91.05463	3.5
93.07031	8.7
95.04949	1.6
95.08589	4.9
97.06526	2.9
98.06042	2.0
98.09671	2.3
98.97534	1.1
98.98447	1.0
99.97875	0.5
100.07607	4.6
105.03365	1.0
105.07019	9.8
107.08587	12.5
109.06495	1.5
109.10143	36.8
110.10460	0.9
112.07580	1.5
114.09155	13.0
116.98595	1.1
117.98965	0.9
119.08572	0.8
121.10132	1.2
123.04438	0.4
123.08046	0.6
123.11696	5.6
126.09141	12.7
126.12762	1.1
128.10687	0.6
133.10115	25.9
134.10439	0.6
134.99556	0.7
135.11678	14.2
135.99942	0.5
136.07552	1.3
137.13214	0.8
138.12764	15.3
140.10692	0.9
140.14287	0.5
147.11668	4.2
151.11165	9.5
153.12735	9.6
154.15881	1.1
164.14352	1.8
165.12767	2.0
182.15384	100.0
183.15701	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	183.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01851	6.2
57.03431	19.4
60.04519	1.2
60.08152	3.2
61.02911	12.3
61.29548	1.2
69.03423	26.2
70.06566	1.4
70.28195	2.5
70.28590	2.2
71.04970	3.2
71.07362	1.8
72.08132	1.9
73.02506	2.1
73.02904	23.5
81.03401	5.3
82.99805	1.8
83.04960	4.8
84.04496	1.4
84.08125	3.5
85.02894	20.2
86.09696	16.4
87.04437	2.3
88.02668	1.5
91.05482	2.4
92.05808	3.4
93.01906	1.8
94.02660	4.0
95.04948	5.7
96.02405	3.4
96.47169	1.4
97.02876	14.0
98.20887	1.3
98.52806	1.1
98.98460	8.4
98.99022	1.2
99.04432	3.7
100.02567	1.6
100.25244	1.3
101.00861	23.0
101.02380	1.3
102.00974	2.4
102.02399	6.2
102.52581	1.2
103.02383	1.5
104.10722	2.5
105.03390	3.9
108.02418	2.7
109.03046	2.9
109.53265	1.4
111.02914	10.3
111.04414	2.0
111.53057	1.3
113.00844	3.2
113.96297	1.3
114.02365	2.1
115.02441	1.7
115.03200	2.0
117.02917	2.4
118.03521	1.4
119.01904	100.0
120.01950	2.8
120.03401	3.0
120.05244	3.8
120.08080	1.3
121.03146	1.8
123.02911	7.5
123.04407	5.2
124.02399	2.2
124.04742	4.0
125.00008	11.8
127.03894	5.3
129.00269	1.4
129.02910	2.7
129.05397	1.4
130.03668	1.4
131.01863	17.0
131.02708	1.8
132.02028	2.7
132.03375	6.1
132.53514	1.3
133.03452	3.8
135.02869	1.6
136.07556	2.2
137.02942	36.7
137.07941	10.7
138.03433	9.0
140.04720	1.4
142.03479	36.0
143.01884	17.4
144.02052	2.0
144.03424	5.8
144.53516	1.2
145.03444	7.9
145.04968	1.4
147.03925	4.1
147.53986	1.5
148.03886	3.7
149.02917	3.6
150.03311	1.4
153.03941	4.1
155.01878	12.7
155.07011	1.7
157.01906	1.0
157.02193	1.0
157.03391	5.8
160.04532	22.2
161.02931	33.4
162.03117	2.3
162.04439	2.5
163.04456	2.7
165.05225	1.4
166.04892	4.5
166.06009	2.9
166.08640	1.9
167.01857	3.3
173.02939	27.7
174.03152	4.3
175.04520	2.3
178.05614	4.2
179.03970	12.8
183.04921	2.5
183.11305	2.4
183.14896	3.8
184.04640	2.7
184.07318	19.8
185.02921	15.1
185.96423	1.2
186.03108	3.2
187.04520	2.4
191.03993	3.3
197.02954	3.0
199.04602	1.8
201.02492	1.5
203.03951	11.5
204.04256	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03942	0.6
55.01857	0.4
55.05494	0.2
56.05024	0.5
57.03421	1.2
58.99871	0.3
59.05002	0.3
60.04508	0.3
61.02918	0.6
65.03928	0.4
69.03411	1.6
69.69959	0.2
70.06565	0.8
70.99835	0.3
71.04971	0.6
71.62861	0.2
72.08138	0.3
73.02900	1.5
74.06066	0.3
77.00897	0.2
77.03915	0.4
80.04989	0.2
81.03413	0.9
82.01430	0.3
83.04966	0.3
84.04465	0.3
84.08129	2.3
85.02885	2.3
85.08459	0.4
86.09684	0.6
87.01881	0.2
88.02676	0.5
89.00838	0.3
90.02419	0.2
91.05465	27.6
92.05820	0.4
93.07027	0.6
94.02681	0.3
95.04951	11.2
96.02409	0.3
97.02875	3.0
99.04446	0.4
100.02475	1.3
101.00860	1.5
102.02375	0.3
103.05473	1.0
107.04942	0.8
107.38068	0.2
108.04401	0.2
108.08148	0.4
109.02843	0.5
109.06491	1.1
111.02911	0.6
113.00861	0.6
115.02410	0.9
116.03956	0.4
117.02923	0.3
118.03526	0.6
118.06509	1.4
119.01917	3.5
119.04922	34.6
119.97909	0.2
120.05241	0.7
120.08121	0.2
121.01617	0.2
121.06480	1.2
122.94260	0.3
123.04407	45.4
124.03796	0.3
124.04747	0.7
127.02378	0.2
127.03933	0.4
129.02980	0.4
129.03941	0.5
129.10197	0.7
130.08578	0.3
131.01884	2.2
132.03450	0.4
133.03439	2.0
133.04985	0.2
134.03542	0.3
135.03183	0.3
136.07553	100.0
137.02948	0.9
137.05966	0.5
137.07918	2.2
138.03459	0.3
140.03247	0.2
140.04996	0.3
142.03485	2.3
143.01878	1.2
144.99799	0.6
145.03427	0.7
147.04350	17.4
147.11157	0.2
148.04800	0.2
149.02927	0.7
151.04500	0.3
152.04955	0.2
153.03935	0.2
154.03453	0.6
155.01834	0.8
155.05458	0.2
157.03473	0.7
158.96259	0.3
159.01346	0.7
159.05031	1.2
160.04512	1.4
161.02948	1.3
161.05507	2.5
161.55617	0.9
162.05597	0.3
163.04549	0.2
163.96786	0.4
164.07056	0.5
165.05446	36.2
165.78340	0.2
166.05800	0.8
168.01389	0.3
170.06027	2.4
170.56175	0.3
172.04562	0.2
173.02930	1.8
177.02397	1.1
177.06023	1.2
181.97827	0.2
182.02948	0.5
182.04521	0.6
182.06764	0.3
182.08104	7.5
185.02924	0.8
187.04457	0.3
195.03471	0.3
195.07185	1.0
200.04054	0.3
203.04030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03933	0.8
53.57211	0.4
55.01854	0.5
57.03416	1.0
58.04328	0.3
61.02911	0.7
62.05574	0.3
65.03913	0.4
69.03410	1.4
70.06577	1.0
70.18391	1.9
71.04983	0.5
73.02905	1.6
81.03392	1.0
82.01364	0.4
84.08143	1.7
85.02898	2.2
91.05470	27.7
92.05803	0.5
93.07022	0.6
95.04957	11.0
97.02873	2.6
98.20769	0.4
98.97562	0.4
99.04437	0.4
100.02465	1.3
101.00853	1.5
102.02386	0.7
103.05427	1.3
107.04922	1.2
108.08141	0.5
109.02914	0.4
109.06490	1.0
111.02923	0.5
111.67431	0.4
113.00884	0.4
115.02402	0.7
116.03916	0.3
118.03535	0.8
118.06504	1.1
119.01906	4.0
119.04932	34.2
119.97893	0.4
120.05265	1.0
121.06465	0.8
123.04414	47.8
124.04737	0.9
129.03917	0.4
129.10197	0.5
131.01877	2.3
132.03441	0.4
133.03481	1.6
136.07561	100.0
137.02954	0.8
137.06058	0.3
137.07904	1.5
142.03476	2.6
143.01884	0.9
144.99812	0.5
145.03412	0.9
147.04369	14.7
148.04857	0.7
149.03032	0.5
154.03477	1.0
155.01857	0.8
157.03441	0.5
158.96283	0.4
159.01387	0.5
159.05031	1.4
160.04527	1.6
161.02951	1.4
161.05536	1.7
161.55632	0.4
164.07072	0.5
165.05455	33.9
166.05858	0.5
170.06055	1.4
170.56184	0.4
173.02971	1.6
177.02443	1.2
177.06097	1.3
182.03008	0.6
182.04619	0.4
182.08118	6.6
185.02930	1.1
190.91843	0.3
195.07153	1.1
203.04013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03930	0.2
54.37490	0.2
55.81470	0.2
56.82090	0.2
63.02378	0.4
65.03923	0.3
68.72991	0.2
70.48624	0.2
70.84427	0.6
73.66798	0.2
78.38006	0.2
79.05486	2.6
81.12785	0.2
89.03906	11.6
91.05466	0.9
93.03379	0.4
95.04951	0.7
98.97585	0.3
107.04941	4.7
107.05617	0.3
111.04440	0.7
117.03364	15.6
118.03683	0.3
118.96957	0.3
119.04934	0.2
121.08425	0.5
135.04396	31.6
136.04727	0.8
139.03886	0.4
144.38046	0.2
145.02827	21.4
146.03152	0.7
150.52655	0.2
163.03880	100.0
164.04230	2.8
181.04939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33173	0.4
51.02369	1.5
53.03701	0.8
53.03941	12.4
55.01861	0.5
59.96722	0.7
64.41873	0.4
65.03928	1.3
66.89771	0.5
67.05473	0.4
69.03403	1.2
69.07056	1.0
70.06569	0.6
70.98480	1.4
71.99091	23.1
75.65305	0.4
77.03893	2.5
79.05473	1.0
81.03412	1.1
84.08134	0.6
86.09686	1.1
91.05467	100.0
92.05799	1.8
95.04954	26.0
96.05292	0.5
98.06013	0.6
98.97556	1.8
98.98477	0.8
99.97916	1.2
105.03400	0.7
105.04485	5.1
106.06522	0.8
116.98619	1.7
117.98942	0.8
121.01096	0.8
123.02637	39.0
124.03016	0.7
131.37436	0.5
134.99631	2.3
136.00027	0.7
136.07533	2.1
149.02985	0.6
152.98254	94.6
153.98506	1.9
154.08540	0.6
164.04219	0.7
164.07149	0.5
182.00906	7.2
182.08081	1.3
182.15334	0.9
182.19031	0.7
183.01106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0807
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02379	0.1
53.03925	0.8
53.04132	0.1
55.01867	0.1
55.05499	0.5
59.96490	0.1
65.03923	0.2
67.01852	0.1
67.05496	0.4
68.65867	0.1
69.03403	0.4
69.07050	0.1
70.02953	0.1
70.06557	0.1
71.58844	0.1
77.03864	0.4
79.05461	0.8
80.05009	0.3
81.03389	0.2
81.07042	0.5
83.04971	0.1
83.08593	0.7
84.08155	0.1
91.05456	3.6
92.05797	0.1
93.05766	0.6
93.07027	3.1
94.06553	0.4
94.07323	0.1
95.04950	1.9
95.08591	0.1
96.04479	0.1
96.08104	0.1
98.97548	0.1
98.98460	0.2
100.11234	0.9
105.03358	0.1
105.04494	0.4
107.08698	0.1
108.04488	0.4
108.08096	2.3
109.06510	0.1
116.98610	0.2
118.06499	0.2
119.04894	0.1
120.08089	0.1
122.05993	0.7
123.04417	0.3
123.08067	0.1
126.05491	1.9
134.99603	0.1
136.07544	100.0
137.07898	2.4
140.07025	3.2
141.07413	0.1
154.08617	0.2
164.07024	66.8
165.07394	1.9
182.00999	0.1
182.04582	0.1
182.08070	1.0
182.11723	0.3
182.15466	0.1
182.18999	3.6
183.11679	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	180.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.05501	14.0
56.05033	4.7
56.96553	4.2
57.03416	1.9
57.05804	1.8
58.06579	0.8
59.98430	0.9
60.04506	1.6
60.05642	10.1
60.08146	2.7
61.01144	0.8
63.81409	0.7
67.05481	2.0
69.03405	2.9
69.07062	9.5
70.06583	44.7
71.04976	1.2
71.06900	3.5
72.08145	72.6
73.02883	1.6
73.08466	2.7
74.06055	3.2
77.00871	1.1
79.05479	1.0
81.03407	1.9
83.04953	1.7
84.04490	2.6
84.08130	81.2
85.02895	5.6
85.06480	1.2
85.08483	4.2
86.09694	100.0
87.10012	3.8
88.03972	1.6
89.03888	4.7
91.05464	2.3
95.04958	1.2
96.04493	0.9
97.02875	4.8
98.06047	1.2
98.21496	1.0
98.97569	28.6
100.02448	3.2
101.00832	1.9
101.10749	1.9
102.00933	1.2
103.02377	1.1
107.04937	5.3
108.04444	0.9
109.01463	0.7
109.02858	1.2
110.07118	3.5
111.02928	0.9
111.04413	1.8
112.08688	3.9
112.11209	0.9
112.55708	1.2
115.08659	3.4
115.65154	0.7
116.07088	8.1
116.98605	29.7
117.03347	7.3
118.03499	1.8
118.06557	0.9
118.15677	1.0
119.01900	5.8
120.01985	11.3
120.08092	2.0
121.01625	4.2
124.07604	0.8
125.07091	0.9
127.03908	3.3
127.08672	0.9
129.10222	25.0
130.08633	35.2
130.09692	4.3
130.10582	1.8
131.01894	2.9
131.05504	2.2
131.08965	1.6
133.01564	1.0
133.03448	1.7
134.02820	1.6
134.03691	1.9
134.05963	2.6
134.09676	1.1
134.99637	22.1
135.03229	2.0
135.04391	16.0
135.06715	3.2
136.07550	1.4
137.02907	1.6
138.03020	3.6
139.02563	2.0
139.03934	1.1
140.00136	1.1
143.01857	1.3
143.11772	1.0
145.02765	10.6
145.04961	1.3
147.10152	1.8
147.11266	28.0
148.11569	2.4
149.02957	0.9
149.06593	1.3
152.04520	1.7
152.07028	3.5
152.08112	1.0
153.00720	2.3
153.04135	1.5
156.04999	0.9
156.07683	1.0
156.11290	2.2
156.97447	9.1
157.03433	4.2
157.04532	1.9
157.10785	2.3
157.13298	1.1
158.01212	2.6
158.09254	7.8
160.06549	1.4
161.02913	1.2
161.56870	0.9
162.03069	2.7
162.05489	1.1
162.09120	1.9
163.02739	2.3
163.03879	51.6
164.10693	4.3
174.13483	1.0
174.98494	7.8
175.02803	1.1
175.04453	3.0
175.11876	25.2
176.12254	1.3
179.63039	0.9
179.99075	6.6
180.03928	2.5
180.05118	5.1
180.06563	2.5
180.08722	3.7
180.10202	2.4
180.13744	2.9
181.02342	1.7
181.03670	3.0
185.02856	1.1
186.12270	0.9
189.15958	2.7
198.00122	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	181.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
57.29535	0.2
63.02363	0.5
63.34957	0.2
69.38470	0.3
71.00256	0.8
74.16903	0.2
76.20591	0.3
79.05481	1.9
81.07018	0.3
89.03905	12.3
91.05450	0.8
95.04921	0.4
96.36490	0.3
96.62664	0.2
98.97527	0.5
102.28801	0.3
107.04930	4.5
111.04414	0.8
116.98571	0.6
117.03361	15.7
118.03711	0.3
119.04916	0.3
119.39620	0.2
121.10110	0.3
135.04396	32.2
136.04744	0.7
139.03879	0.5
145.02827	18.9
146.03159	0.4
163.03880	100.0
164.04199	2.7
166.04881	0.2
181.04901	0.8
181.30455	0.3
186.05453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34491	0.4
58.99850	0.5
69.58437	0.6
69.63815	1.8
69.64243	2.1
71.82713	0.5
72.74120	0.5
75.51691	0.5
82.01421	2.6
82.99834	0.6
84.08119	0.7
100.02465	11.2
101.00858	14.2
101.01506	1.0
101.06541	0.4
115.01173	3.1
115.02419	1.7
118.03489	6.0
119.01897	100.0
120.01958	4.9
130.10579	0.6
133.01582	1.9
133.02293	1.6
133.03430	11.6
134.03009	1.5
134.99728	0.6
137.02928	37.9
137.49937	0.9
138.03035	1.4
138.96397	0.8
141.49870	0.7
142.03477	1.8
143.01869	1.0
151.02672	0.7
151.04509	5.3
156.01634	0.7
156.03165	1.1
156.05038	8.9
156.97495	4.0
161.02927	24.8
161.05951	0.7
162.03093	0.8
164.50145	1.6
164.52325	1.1
165.00066	0.6
165.02142	1.4
165.52254	0.8
173.50725	0.7
174.06104	2.9
174.98540	4.0
175.07983	0.5
179.03975	45.8
179.99220	4.2
180.04152	1.8
184.04503	1.6
197.99110	3.8
198.00320	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	180.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.1
71.29228	0.2
77.03918	0.1
79.05485	0.2
89.03912	0.1
91.05455	0.7
93.07033	1.8
95.04972	0.2
97.99149	0.1
98.97572	3.6
103.05452	5.2
105.07020	0.1
106.06556	0.1
106.07343	0.1
107.04982	0.2
108.04480	0.1
116.00169	0.1
116.97289	0.2
116.98605	3.9
117.03320	0.1
118.06664	0.1
120.08088	100.0
121.06483	5.0
121.08412	2.3
122.06763	0.1
127.03826	0.1
131.04907	1.1
134.06009	0.2
134.99641	4.1
135.04395	0.2
135.08025	0.3
140.00191	0.3
145.02837	0.1
152.07066	0.2
153.00647	0.8
158.01219	0.7
162.09053	0.2
163.03897	0.7
163.07516	1.0
163.11153	0.1
163.55162	0.1
176.02318	0.2
180.06580	0.3
180.08215	0.2
180.10161	3.6
180.17494	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	180.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85556	0.2
53.70165	0.1
53.96825	0.1
58.00801	0.2
58.06093	0.2
58.83270	0.2
71.26838	0.5
84.08126	0.5
89.03886	0.6
91.05464	0.8
93.07028	1.8
94.82677	0.2
98.97533	0.5
103.05449	5.7
116.98608	0.4
117.03358	0.6
120.08086	100.0
121.06488	5.0
121.08416	2.2
123.10274	0.2
131.04884	1.4
134.99597	0.3
135.04417	1.5
135.08060	0.4
136.80324	0.2
145.02814	1.0
162.05524	0.4
163.03893	6.1
163.07501	1.0
180.06534	0.4
180.10143	3.4
181.05022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0497
Annotation	Isalexin
Peak:m/z	Relative Intensity
53.66568	0.2
55.01847	0.7
55.05481	0.6
55.65105	0.2
56.05014	0.5
56.96571	0.2
57.03451	0.2
60.04514	1.5
60.05641	0.3
67.05478	0.6
68.05021	0.2
68.99770	0.6
69.03427	0.2
69.07040	0.4
70.00728	1.1
70.01025	0.3
70.06581	3.8
72.08146	2.1
72.93768	0.2
73.02888	0.2
74.06038	0.2
76.02210	0.3
77.03908	0.3
79.05467	0.4
80.04996	0.2
81.07050	0.3
83.04951	0.3
83.06082	0.3
84.04489	0.5
84.08133	4.1
85.02895	0.2
86.00632	0.4
86.09686	1.3
88.02201	1.4
89.03908	0.8
90.04243	1.3
90.94818	0.2
91.05464	1.6
93.07029	0.2
95.01330	0.3
95.04930	0.7
95.08582	0.5
96.01647	0.4
104.04988	0.3
105.03379	1.8
105.06978	0.6
106.06542	0.3
107.04927	0.4
108.04449	0.8
109.06458	0.4
110.02393	0.3
110.05997	0.5
110.07151	3.5
111.04408	0.4
112.08723	0.3
116.01691	0.2
116.07065	0.4
117.03356	0.7
117.05714	0.2
118.03709	2.1
118.96725	0.8
119.01888	0.2
119.04891	0.7
120.08097	0.3
122.05997	0.4
122.09680	0.2
123.04427	1.0
129.10214	0.5
130.08647	0.2
131.97421	0.2
132.01083	0.8
132.04417	2.0
132.08052	0.8
133.02835	3.2
133.06473	0.3
133.10063	0.2
134.05997	1.7
135.03925	0.3
135.06560	0.2
136.03909	2.2
136.06160	0.7
136.07523	0.9
137.05940	0.5
139.13609	0.2
145.02824	0.7
146.03151	3.7
147.04352	0.8
147.61230	0.2
150.03044	0.3
150.05370	2.4
150.06328	0.5
150.09116	0.4
151.03903	0.9
151.11130	0.6
152.07010	0.3
152.46957	0.2
154.96431	0.4
156.07664	1.6
160.03940	0.7
160.07533	0.4
161.02277	0.4
161.05988	0.5
161.97023	0.2
164.04230	0.2
170.09160	0.3
172.95157	0.4
175.11913	0.2
178.04961	100.0
179.01816	0.2
179.03365	4.6
179.05275	2.5
179.06795	0.5
179.08238	0.3
179.10606	0.6
190.96240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32186	0.4
60.05655	0.4
65.11507	0.4
69.94353	0.9
69.94762	2.1
70.06556	0.7
71.06903	0.6
95.74046	0.4
132.02098	100.0
133.02454	2.0
150.03151	1.2
176.01076	32.5
186.72226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03934	0.5
63.02368	1.0
65.03921	0.5
69.07069	0.4
70.30487	1.2
78.04718	2.0
79.05466	1.2
81.07052	0.4
89.03905	37.0
90.04242	1.1
91.05468	3.2
93.07031	2.2
95.04945	0.6
95.08617	0.4
98.20641	0.4
98.98459	1.0
103.05461	1.7
105.07011	0.8
106.04176	2.4
107.08569	0.9
117.03363	65.1
118.03665	2.0
119.04950	0.5
119.08553	0.5
121.06508	0.8
121.10098	1.3
124.05136	0.7
129.32169	0.4
131.08553	1.2
133.10152	0.6
134.03604	8.7
135.04405	5.8
135.11646	0.4
145.02824	100.0
146.03169	4.4
149.02393	0.5
149.05960	23.4
150.06297	0.7
158.06094	0.7
159.11658	1.1
162.03110	2.9
163.03886	4.1
177.05443	40.2
177.12743	1.3
177.16354	0.5
178.05798	1.6
186.05479	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	0.5
55.05495	1.1
59.04974	0.5
63.02382	0.9
64.07539	0.4
66.69181	0.4
67.05509	0.9
69.03418	0.9
69.07049	1.3
70.01701	1.6
70.02116	1.0
70.06587	1.0
73.86390	0.4
78.04707	2.9
79.05489	1.2
81.07062	1.6
84.08121	1.3
85.02896	0.7
89.03909	36.8
90.04235	0.7
91.05476	4.5
93.07034	2.9
95.01329	1.2
95.04971	2.1
95.08579	1.2
98.98469	3.9
99.27200	0.4
103.05472	1.4
105.03374	0.6
105.07037	2.0
106.04168	3.1
107.04966	0.8
107.08581	3.2
117.03368	60.8
118.03656	2.2
119.04913	1.2
119.08567	1.5
120.08107	1.2
121.06487	1.9
121.10125	3.3
123.08049	0.9
124.05190	0.8
129.01854	0.4
129.06982	0.6
131.04880	0.4
131.08588	2.4
133.10091	0.7
134.03616	8.3
135.04402	5.9
135.08022	1.6
135.11681	1.3
145.02832	100.0
146.03136	2.6
149.02310	1.5
149.05971	25.8
149.09587	0.9
149.13297	0.9
150.06322	0.9
158.06004	1.0
159.08005	0.7
159.11684	2.4
159.15239	0.5
162.03122	3.0
163.03860	3.5
164.75887	0.5
177.05453	44.4
177.08841	3.0
177.12715	6.9
177.16313	1.5
178.05763	1.6
186.05498	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	0.5
55.05503	6.0
57.07062	0.7
64.65186	0.3
65.03937	0.4
67.05497	1.9
69.03450	0.6
69.07054	19.2
70.06577	3.3
71.59007	0.6
79.05482	1.5
81.07047	4.9
83.08594	3.3
87.21645	0.3
91.05463	7.5
93.07032	2.3
95.08595	4.3
98.98454	4.0
103.05499	0.6
105.07011	19.7
106.07322	0.6
107.08577	3.5
112.07587	1.6
113.97772	0.4
115.05454	0.9
116.07047	0.4
117.07008	1.9
119.08559	71.3
120.08135	0.5
120.08808	1.9
121.10126	2.0
129.07014	0.5
131.08559	3.4
132.05675	0.6
132.09319	0.5
133.10101	59.5
134.10471	1.7
139.03827	0.4
142.07770	0.5
144.09389	0.5
145.10097	4.8
146.10793	0.6
147.08044	0.6
147.11656	9.4
148.12006	0.4
155.29929	0.4
157.10066	0.3
158.05901	0.4
160.05203	1.2
160.12447	3.4
173.13213	2.5
175.07507	2.3
175.14787	100.0
176.15132	3.8
179.96895	0.3
183.56458	0.4
186.46397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05504	6.4
57.07061	1.2
65.03906	0.3
67.05493	1.8
69.07059	18.7
70.06580	1.3
70.07412	0.3
71.29675	0.4
77.03933	0.3
78.86755	0.2
79.05478	2.2
81.07049	4.5
83.08614	3.7
91.05466	6.7
93.07038	2.6
95.04926	0.4
95.08595	4.7
98.98434	1.7
103.05479	0.8
105.07017	19.9
106.07330	0.7
107.08591	4.6
112.07580	0.6
117.06998	2.5
119.08564	72.8
120.08822	2.1
121.10145	2.1
131.08546	3.5
132.09314	0.6
133.10112	61.0
134.10417	2.7
135.11670	0.5
145.10101	5.4
146.10800	0.8
147.11670	9.6
148.12114	0.2
155.12614	0.3
158.10904	0.3
159.11702	0.4
160.12439	3.1
165.27654	0.2
173.13281	2.2
175.07567	0.8
175.14799	100.0
176.15144	4.8
178.08519	0.2
187.21683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05641	44.7
64.03460	0.4
66.67064	0.3
69.29781	0.4
70.06584	100.0
70.84333	1.0
71.04973	1.1
71.06899	0.8
71.61745	0.4
72.08144	5.2
84.08138	6.6
88.07601	0.7
97.07661	0.9
98.06052	0.9
112.08713	5.4
113.07123	0.9
114.10261	0.7
115.08670	0.9
116.07081	37.6
122.80538	0.4
130.08649	2.6
130.09731	15.4
130.12238	0.7
131.10103	0.4
140.08093	0.4
157.10851	2.0
158.07985	0.7
158.09241	10.0
174.89574	1.2
175.11887	46.3
175.14380	1.6
176.12074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03960	0.6
55.05502	6.7
56.87877	0.8
57.07079	0.8
67.05489	1.6
69.07062	19.9
69.91541	2.2
69.91956	1.6
70.06580	2.5
75.92703	0.6
79.05493	2.1
81.07059	4.3
83.08603	3.5
91.05470	10.1
93.07029	2.5
95.08613	3.8
98.20765	0.6
98.98473	2.9
103.05473	1.0
105.07018	20.7
107.08591	4.1
112.02452	0.5
112.07599	1.1
115.05508	0.6
117.06987	2.8
119.04934	1.7
119.08570	70.3
120.08900	2.2
121.10129	1.9
123.79987	0.5
124.68380	0.5
130.06488	0.6
131.08528	3.4
133.10120	57.4
134.10475	1.7
142.07674	0.6
145.06549	0.6
145.10094	4.7
146.10857	0.9
147.04388	0.6
147.11674	9.2
160.12462	3.1
173.13234	2.2
175.14809	100.0
176.15152	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
60.04507	0.4
60.05638	3.2
65.60002	0.3
67.85882	0.3
70.06582	100.0
70.12859	1.6
71.05022	0.3
71.06924	1.0
72.08143	4.8
98.06037	1.7
98.59860	0.3
112.07589	59.5
113.07943	0.9
115.08681	1.6
116.07079	12.5
124.34200	0.3
129.10223	3.8
130.08658	0.4
130.09747	1.1
132.02087	12.8
133.03423	0.5
133.09703	0.4
134.62379	0.3
157.09680	0.4
158.08037	0.6
158.09250	0.8
174.02040	0.3
175.04443	0.9
175.10687	7.3
175.11945	1.5
176.01083	3.9
182.57849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1075
Annotation	N-Acetylornithine
Peak:m/z	Relative Intensity
60.04504	0.5
60.05634	3.5
70.06580	100.0
70.26271	0.9
70.26682	0.8
71.04997	0.5
71.06918	1.1
72.08143	2.4
79.06857	0.3
98.06047	1.4
98.21259	0.4
112.07585	65.6
113.07916	0.8
115.08658	1.6
116.07075	13.5
119.01913	0.4
129.10228	4.4
130.08655	0.6
130.09718	1.4
132.02087	1.0
152.72383	0.3
157.09709	0.5
158.08083	0.4
158.09233	1.2
175.10728	7.1
175.11955	3.2
176.00999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05641	44.7
64.03460	0.4
66.67064	0.3
69.29781	0.4
70.06584	100.0
70.84333	1.0
71.04973	1.1
71.06899	0.8
71.61745	0.4
72.08144	5.2
84.08138	6.6
88.07601	0.7
97.07661	0.9
98.06052	0.9
112.08713	5.4
113.07123	0.9
114.10261	0.7
115.08670	0.9
116.07081	37.6
122.80538	0.4
130.08649	2.6
130.09731	15.4
130.12238	0.7
131.10103	0.4
140.08093	0.4
157.10851	2.0
158.07985	0.7
158.09241	10.0
174.89574	1.2
175.11887	46.3
175.14380	1.6
176.12074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	D-Arginine
Peak:m/z	Relative Intensity
55.05492	0.8
57.03430	0.7
57.06076	0.3
60.04519	0.7
60.05642	31.7
70.06583	100.0
70.50243	1.7
70.95843	0.5
71.04977	1.5
71.06919	0.6
72.08148	11.3
72.93791	0.5
73.02950	0.4
84.08126	3.5
85.01392	0.9
85.08453	0.5
89.99995	0.4
97.02892	1.0
98.06050	0.9
98.98365	0.4
101.00864	2.2
102.00980	0.4
103.02441	4.1
104.07103	8.5
104.07773	0.7
112.07592	17.1
112.08724	3.1
112.98777	0.4
113.07153	0.6
114.10276	0.5
115.02409	1.3
115.08706	1.8
116.07077	28.0
119.01908	13.3
120.02009	1.1
121.01666	0.8
121.03481	2.3
129.10252	1.6
130.06511	2.0
130.08746	0.6
130.09740	11.2
131.01913	0.7
132.04446	2.6
132.95839	1.2
133.03452	11.0
133.96072	0.6
137.02945	4.3
142.03427	0.5
145.03433	3.6
150.96875	2.6
151.04518	4.2
151.97075	1.3
156.97618	0.7
157.03444	0.7
157.07622	0.9
157.10829	1.5
158.05951	2.4
158.09232	7.5
163.02652	0.4
163.04483	1.3
163.06384	0.6
174.98692	1.1
175.04506	21.3
175.11913	29.7
176.04639	0.9
179.04060	0.9
189.03636	0.5
193.05571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03929	1.8
55.05263	1.2
55.05503	15.5
55.73984	0.6
56.05028	1.4
56.96556	1.5
57.03425	0.9
57.07071	3.9
59.04982	3.0
59.05251	0.6
60.04511	4.1
65.03920	2.3
67.05495	15.4
69.03410	1.1
69.07066	4.1
69.56897	1.7
69.57313	3.7
70.06581	9.1
70.95844	2.5
71.04990	5.6
72.04506	1.1
72.08141	4.3
72.93402	0.8
72.93784	8.4
74.06042	0.9
76.02195	0.7
77.03934	0.8
79.05483	7.8
81.07043	18.0
82.06551	1.7
83.04972	13.3
84.04478	1.9
84.08139	4.6
85.02878	1.8
85.06524	5.3
85.41780	0.8
86.09694	8.4
87.04456	0.9
87.05102	0.8
87.05582	5.2
88.41015	0.6
89.02349	0.7
90.90364	2.0
90.94817	5.9
91.05466	29.8
93.07037	5.2
95.04951	3.9
95.08595	14.2
98.20688	0.7
99.04425	1.0
99.08107	1.3
100.07588	1.1
101.05388	0.7
101.06007	10.2
103.03262	2.5
103.05447	2.3
105.07017	27.9
106.07356	0.9
107.08588	6.8
108.95834	2.9
109.06521	1.2
109.10135	7.9
109.17420	0.6
111.03693	1.2
111.04425	15.3
111.98476	1.6
113.05967	1.9
113.96429	1.3
114.05524	1.3
115.05431	5.4
116.06235	7.7
116.07004	1.3
117.07003	13.7
119.08565	18.3
127.07551	1.5
128.06198	6.5
128.07065	2.4
128.10693	6.7
129.05518	8.1
129.06989	23.3
129.10213	1.2
129.99452	0.9
130.07765	8.7
130.08638	1.2
131.08549	64.1
132.08859	1.1
132.95831	2.7
133.10150	3.6
137.05898	0.7
137.09589	1.9
137.13217	1.4
142.07736	2.6
143.08542	47.0
144.09322	12.1
145.06483	2.7
145.10097	31.8
146.05960	1.0
146.10443	1.0
149.94012	1.4
149.96086	2.0
149.97211	1.5
150.96880	6.5
155.07014	14.4
155.10637	1.4
155.14278	3.3
155.97438	2.5
156.09375	2.5
157.10077	3.1
158.10890	37.6
159.11249	1.9
159.75737	0.7
167.97107	2.9
171.11688	1.6
173.05920	2.0
173.08105	22.7
173.13235	100.0
173.98506	2.3
174.13527	2.8
175.11919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.9847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
55.93510	1.9
56.05038	1.0
57.03440	1.2
60.04518	7.7
60.05647	0.6
69.03403	1.2
70.02991	2.1
70.03411	1.6
70.06589	8.1
70.95459	1.6
70.95855	33.6
71.06238	0.6
72.08150	3.9
72.93777	20.9
73.06551	1.2
82.06591	1.5
84.08133	13.8
84.08616	1.0
85.02894	1.8
85.08459	0.9
86.06081	0.6
86.09693	6.0
87.05584	0.7
88.01592	0.6
88.96889	7.1
90.94812	5.8
94.54968	0.7
97.02866	1.7
98.98447	1.2
108.95854	1.3
111.98463	34.4
112.07555	1.3
112.47955	0.7
112.80266	0.6
113.96363	4.9
114.05491	0.6
114.94804	2.0
116.07055	1.1
117.63105	0.6
119.01884	1.2
127.57211	2.8
128.07065	2.9
129.10229	3.7
129.99500	17.8
130.00464	1.2
130.06519	2.3
130.08603	3.1
131.97400	3.1
132.04454	2.6
132.95815	59.9
147.11263	2.4
148.47217	0.8
149.98474	2.0
150.96869	100.0
151.97083	1.0
155.97400	32.3
157.07526	1.0
158.06021	2.6
163.00520	1.2
168.97920	3.3
173.98471	44.4
174.06073	1.9
174.07489	0.9
174.12842	1.2
174.96828	1.3
175.04506	1.7
175.08672	1.1
175.11864	1.8
183.08049	0.7
191.99406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
57.03397	0.4
57.07066	14.3
58.06593	2.8
60.04517	0.5
60.05648	0.4
60.95439	0.4
62.06081	12.1
66.46771	0.3
69.03419	0.5
69.07047	0.8
70.06583	3.1
70.24963	1.5
70.95839	0.5
71.08242	0.6
71.08617	9.7
72.08137	0.3
72.93767	0.3
81.07046	0.7
82.06568	1.7
83.04962	0.5
83.08643	0.3
84.08105	1.0
85.02899	0.5
86.06046	0.8
91.05456	1.2
94.25943	0.3
95.08597	0.4
97.02874	0.5
98.98450	6.4
100.07571	1.0
105.06989	1.6
107.08621	0.3
110.06003	0.4
111.98422	0.4
112.07568	1.5
114.05530	0.6
115.05450	0.7
116.99491	0.3
117.06956	0.4
118.06543	0.7
119.08566	3.9
121.90816	0.3
124.87279	0.3
128.07034	2.7
128.10732	0.4
129.07011	0.4
129.10176	0.3
130.30772	0.3
132.05673	0.6
132.08057	0.7
132.95792	0.6
133.10110	4.3
146.05954	0.6
146.08093	1.3
146.10541	0.4
147.08034	0.4
147.11708	0.6
150.96909	1.5
151.55853	0.3
156.17461	9.9
160.05151	0.4
172.11916	0.3
174.05548	0.8
174.07513	0.6
174.08913	0.6
174.18510	100.0
175.03870	0.4
175.07483	1.9
175.11078	1.1
175.14772	3.9
175.18875	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	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
55.01848	0.1
67.19595	0.1
67.86266	0.1
71.34284	0.2
77.03906	0.2
79.05471	1.0
83.93034	0.2
86.14469	0.1
91.05468	0.7
93.07027	1.8
94.12217	0.1
95.04948	0.3
96.21368	0.1
99.61614	0.1
101.20486	0.1
103.05450	7.6
104.05791	0.1
107.04935	1.8
107.05592	0.1
108.04371	0.1
118.06548	0.2
120.08083	100.0
121.06464	0.1
121.08429	2.6
131.03996	0.2
131.04912	2.4
132.05185	0.1
142.96690	0.4
148.04756	0.3
149.05952	1.1
166.04996	0.3
166.08603	2.8
167.07019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0476
Annotation	PHENYLACETOTHIOHYDROXIMATE
Peak:m/z	Relative Intensity
55.50384	0.2
65.03925	0.8
70.34138	1.0
79.05482	1.1
80.43406	0.2
91.05469	100.0
92.05793	3.0
95.04932	0.2
103.05447	0.3
104.04982	0.3
106.06571	1.4
107.04983	0.2
109.02811	0.2
112.39797	0.2
116.04964	0.5
117.05733	2.0
126.05602	0.2
134.06000	13.6
135.02621	1.3
135.06354	0.5
144.42978	0.2
149.19766	0.2
152.07060	1.0
153.07501	0.2
159.27499	0.2
168.04761	4.9
168.06113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58120	39.9
56.28120	45.7
64.37943	43.3
71.42111	100.0
119.66385	46.0
134.39752	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03934	0.5
54.40855	0.3
55.01864	2.7
55.05499	4.2
56.05023	0.5
57.03431	0.3
60.04520	0.4
65.03931	17.6
67.05495	1.8
68.96304	0.3
68.99782	6.3
69.03414	1.6
69.07054	1.6
69.97704	0.5
69.98121	1.2
70.06591	2.1
70.94238	0.7
71.01359	0.3
71.04960	0.8
72.04507	5.5
72.08147	3.8
72.93827	0.3
73.02910	0.3
79.01864	0.4
79.05469	1.3
81.03410	2.4
81.07040	0.5
82.06567	0.7
83.01319	0.4
83.04472	0.5
83.04971	8.7
83.08599	1.9
84.04504	1.4
84.08128	1.7
85.02846	0.3
85.06548	0.3
86.09693	29.2
87.04441	0.4
88.95273	0.5
89.07138	4.2
91.05470	0.4
93.03391	4.3
93.07014	0.5
95.04968	0.9
96.02090	0.9
97.02888	1.4
97.06503	0.6
98.06011	0.4
100.07584	0.4
107.08585	1.0
109.02824	0.3
109.06520	0.6
109.10133	0.5
110.07153	1.8
111.04425	72.5
112.04001	0.4
112.04751	1.0
121.02849	1.2
121.03976	5.2
125.05945	0.7
125.07120	0.3
125.09676	0.7
126.05502	0.5
127.03923	0.5
130.96288	0.4
136.06259	0.3
139.00346	1.8
139.03880	100.0
140.04205	1.9
143.08243	0.3
143.10715	0.5
143.11780	6.0
147.94482	0.4
147.96780	0.4
148.97389	1.1
153.01842	0.7
153.05469	0.5
153.07439	0.3
153.09114	0.5
153.97835	0.4
156.03717	0.3
156.07600	0.7
156.09358	0.4
157.01305	1.7
165.97675	0.4
171.02846	0.4
171.04274	0.6
171.06516	8.1
171.07762	0.7
171.09973	0.7
171.11578	0.9
171.14911	4.2
171.98943	0.6
172.09665	0.4
183.10658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13269	0.4
56.05028	62.4
57.03432	0.8
57.05342	0.9
61.01126	0.5
63.02711	1.3
69.03425	0.7
70.06580	2.1
73.96259	0.4
74.02432	19.5
74.06070	26.8
75.06380	0.5
76.33461	0.4
78.95295	0.4
82.01426	1.5
82.99831	0.6
84.04498	8.1
84.04962	0.8
85.02890	2.6
90.04238	1.4
91.05463	1.1
95.04961	1.0
98.20695	0.9
100.00132	0.4
100.02469	10.0
101.00870	6.8
101.02573	0.4
102.05527	100.0
103.05858	1.8
110.07110	0.4
117.03339	0.5
118.03538	6.3
118.06903	0.7
119.01906	42.3
119.04905	1.5
123.04372	1.2
124.02387	2.0
124.20554	0.4
133.03178	0.9
136.04745	2.9
136.07553	0.7
137.01831	0.4
137.02942	15.2
142.03482	33.3
146.03139	1.6
146.08046	0.7
147.04396	3.3
160.04538	12.1
160.51997	0.4
164.04250	4.9
164.07222	1.5
165.05099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76825	0.3
65.26719	0.3
71.77487	0.4
75.17249	0.4
82.99846	1.0
84.08133	0.4
85.95547	0.3
89.91180	0.3
95.19452	0.4
96.84987	0.3
100.02477	1.0
101.00870	19.5
108.15260	0.3
119.01908	100.0
120.01979	2.7
124.02421	5.1
137.02940	31.1
138.03064	0.8
142.03485	75.7
143.03636	2.7
147.04385	0.6
160.04544	25.4
161.04648	1.0
165.05067	1.9
183.06171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16809	0.3
58.63565	0.3
71.25004	0.5
71.25328	0.5
71.86607	0.3
82.01459	0.6
82.99835	1.2
100.02477	1.4
101.00866	21.2
101.02531	0.6
102.00979	1.0
107.88375	0.3
118.03538	0.7
119.01907	100.0
120.01992	4.9
121.02367	0.6
124.02423	4.6
133.32956	0.3
137.02940	34.7
138.03018	1.8
142.03482	81.7
143.03595	3.7
160.04543	29.3
161.04651	1.4
165.05078	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03942	0.2
55.01845	0.1
65.03917	0.7
67.05489	0.2
69.03413	0.3
69.86478	0.8
81.03381	0.3
81.07034	0.4
83.04956	0.2
91.05469	17.6
92.05797	0.6
93.07029	0.3
95.04942	1.3
95.08587	0.4
103.05441	0.2
105.07008	0.5
107.08564	0.3
109.02824	0.2
109.06527	0.2
109.10133	0.3
119.01920	0.5
119.04925	41.0
119.08582	0.6
120.05236	1.2
120.08081	0.9
123.04412	1.5
123.08054	0.5
123.11717	0.1
133.02850	0.2
137.09612	0.2
142.03471	0.2
147.04390	100.0
148.04718	3.2
148.05807	0.2
165.05441	1.8
165.09096	1.8
165.12706	0.5
174.57162	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	165.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03932	0.6
53.95795	0.2
55.05503	0.4
61.49558	0.2
65.03922	1.0
67.05492	0.8
69.03416	0.9
69.94611	0.7
69.95019	0.5
71.21593	0.2
72.92960	0.2
79.05481	0.6
81.03407	1.3
81.07053	0.7
83.04958	0.5
85.02872	0.3
91.05460	17.2
92.05795	0.4
93.07046	0.5
95.04942	1.4
95.08588	1.2
101.00851	0.3
103.05452	0.6
105.07008	0.9
107.04954	0.4
107.08540	1.0
109.02857	1.9
109.06510	0.7
109.10118	1.1
117.06995	0.2
119.01968	1.3
119.04918	40.9
119.08556	1.8
120.05260	1.3
120.08099	2.0
121.10056	0.4
122.07261	0.3
123.04427	1.9
123.08038	1.5
123.11685	0.3
123.72813	0.2
137.02911	0.5
137.05940	0.5
137.09593	0.7
142.03499	0.8
147.04376	100.0
147.11697	0.5
148.04724	3.7
160.04501	0.2
165.05428	2.2
165.09071	3.4
165.12764	0.8
166.04967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.84186	0.4
50.87762	0.3
53.03934	0.6
55.05488	1.7
56.05019	1.1
57.03439	0.4
59.04990	0.6
65.03895	0.6
67.05493	13.0
69.03405	1.7
69.07047	0.9
69.59077	0.4
69.74857	3.0
70.06566	0.3
79.05483	1.3
81.03385	0.4
81.04518	1.1
81.07047	5.6
82.06556	0.8
83.01973	0.5
83.02448	8.1
83.04967	3.1
83.06086	2.4
84.37059	0.4
91.05463	5.7
92.79301	0.4
93.07004	0.8
95.04957	3.7
95.06033	0.5
95.08578	2.1
97.07641	1.0
98.07150	0.7
103.05409	0.8
105.07008	1.1
107.04935	1.9
107.06054	0.7
107.08567	1.1
109.06474	1.4
109.07619	0.5
109.10136	13.6
112.08718	0.4
117.07005	0.5
119.04940	4.2
119.08564	11.7
120.08080	2.4
120.08869	0.6
121.06493	0.9
122.07255	10.3
123.05602	0.4
123.06657	1.0
123.07871	1.5
123.09149	0.7
124.05077	3.2
124.08691	5.3
124.57819	0.4
125.09480	1.0
137.02934	0.5
137.09593	38.2
138.06561	0.4
138.09969	1.4
142.03491	0.4
142.96667	0.9
147.04393	11.2
147.07999	0.8
148.04788	0.6
148.08640	1.3
165.09084	100.0
165.11334	4.2
165.12737	2.2
166.04971	1.3
166.08337	0.7
166.09671	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	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	0.3
65.17434	0.2
65.20270	0.2
69.48260	0.2
71.33566	0.5
71.33919	0.3
82.01450	0.3
82.99850	0.7
100.02470	0.7
101.00866	14.2
102.00947	0.7
107.05180	0.4
114.09148	0.3
116.05749	1.7
118.03500	1.6
118.96722	0.7
119.01905	100.0
120.01985	1.7
121.02363	0.4
124.02439	2.4
127.56560	0.4
129.04764	0.3
133.03426	0.2
136.04478	0.7
137.02939	40.5
137.99828	0.3
138.03052	0.9
142.03481	43.1
142.20847	0.3
143.03587	2.3
154.96469	0.4
160.04541	21.7
161.02922	3.6
161.04607	1.2
165.05075	1.1
177.48701	0.3
178.05576	2.8
179.03989	6.7
179.05521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42097	0.1
60.00633	0.2
67.05476	0.2
69.07059	0.2
69.28159	0.3
69.28561	1.4
82.99809	1.0
85.01366	0.2
100.02493	0.2
101.00856	15.9
102.00900	1.1
103.00653	0.2
103.02430	0.6
104.02513	0.2
107.05257	1.1
107.55336	0.2
111.04409	1.1
116.05758	3.0
116.55846	0.6
118.03485	0.2
119.01896	100.0
120.01968	6.8
121.01608	0.8
121.02390	0.2
121.03445	0.3
125.02502	0.3
125.06306	0.2
127.56564	0.6
129.04694	0.5
133.51929	0.1
137.02927	41.9
138.03011	2.8
139.02557	0.2
139.03456	0.2
142.03477	2.5
143.01903	0.3
143.03586	4.4
144.03165	1.0
147.04984	0.3
160.04514	0.8
161.02924	5.0
161.04628	2.1
162.03049	0.3
162.04309	0.4
165.06114	0.2
166.05086	0.2
173.06581	0.1
175.72792	0.1
179.03973	10.1
180.04156	0.4
184.04448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0386
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03926	1.1
63.02372	1.6
70.89111	1.0
70.89481	0.9
77.03923	0.5
79.05481	6.8
86.06055	0.4
89.03899	52.7
89.09146	0.3
90.04232	1.0
91.05458	1.2
95.04951	2.0
103.05452	1.2
103.69080	0.4
105.07016	0.6
107.04934	11.2
107.08585	0.5
117.03356	43.9
117.06965	0.6
118.03678	1.3
131.04890	1.5
132.02008	0.4
135.04387	84.3
136.04724	2.4
145.02817	42.1
146.03156	1.7
163.03870	100.0
163.11115	0.9
164.04201	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	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02370	0.2
53.03936	1.0
53.18807	0.2
55.01848	0.5
55.05500	1.3
55.28418	0.2
56.96555	0.2
57.03426	0.3
57.07061	1.3
57.83569	0.1
61.02895	0.2
64.03742	0.2
65.03912	0.2
67.05487	0.7
69.03412	1.9
69.07058	2.2
69.70816	1.3
70.06570	0.3
71.04976	0.4
73.02905	0.2
77.03911	0.3
79.05479	6.5
80.05022	0.2
80.93063	0.2
81.03387	0.5
81.07039	1.9
82.55918	0.2
83.04941	0.6
84.08141	0.8
84.20171	0.1
85.02872	0.4
89.03904	2.8
89.06001	0.8
91.05463	3.4
92.02633	0.3
93.03401	0.2
93.07024	6.9
95.04949	2.9
95.08591	1.0
100.02471	0.8
101.09682	0.2
103.05443	4.7
105.03384	0.9
105.04490	0.4
105.07011	3.5
105.07718	0.1
106.06541	0.4
107.04935	7.6
107.08571	5.7
108.04417	0.2
109.06493	0.6
115.05429	0.6
117.02602	0.2
117.03364	2.1
117.04634	0.2
117.05655	0.3
117.06996	3.9
118.03510	0.7
118.06531	0.2
119.04891	0.3
119.08556	1.9
120.08095	0.2
121.06490	2.3
121.10105	2.1
121.52469	0.2
123.08086	0.2
127.03892	0.2
130.06522	0.7
130.07761	1.0
131.04904	5.4
132.08080	1.0
133.02827	2.4
133.06461	1.7
135.04398	7.2
135.08041	2.8
135.11682	2.7
136.04762	0.2
136.07542	0.5
136.08467	0.3
143.08510	0.4
145.02840	2.1
145.03900	0.2
145.06487	0.5
145.10098	8.8
146.03236	0.2
146.10408	0.5
147.08012	2.2
148.08807	8.9
149.09138	0.3
163.03883	18.2
163.04956	0.7
163.07541	3.4
163.11148	100.0
164.03325	0.5
164.04411	0.4
164.06927	1.0
164.11548	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02373	0.6
53.03745	0.5
53.03938	5.2
55.01858	0.7
55.05504	7.8
57.03416	0.5
57.07069	3.8
61.02911	1.6
65.03916	0.8
67.05492	22.3
69.03417	1.3
69.07063	6.9
69.90701	0.4
71.62852	0.7
73.02890	1.0
77.03891	0.7
79.05482	41.6
80.05786	1.1
81.03400	1.5
81.07046	33.8
82.07370	0.8
83.04956	0.5
83.08607	5.6
85.02895	1.7
89.03903	1.3
89.06027	1.7
91.03966	0.6
91.05470	9.9
92.02609	2.2
93.07032	44.5
94.07346	0.8
95.04955	11.8
95.08594	30.4
96.05301	0.5
96.08914	0.6
97.02867	0.7
97.10151	1.2
100.02460	1.6
101.09639	0.8
103.05468	2.3
105.03392	3.9
105.04485	2.4
105.07006	2.9
106.06524	1.1
107.04947	3.9
107.08577	40.6
108.08897	1.0
109.06516	0.9
109.10124	1.6
117.03358	1.4
117.05622	0.7
117.06963	1.1
118.03529	1.6
118.06557	0.9
119.04938	0.8
119.08576	2.5
120.08108	0.7
121.06449	0.7
121.10126	56.0
122.10487	1.5
123.08055	0.6
130.06514	2.2
131.04910	2.2
132.08058	2.5
133.02834	19.8
133.44176	0.6
134.03180	0.8
135.04401	22.3
135.08003	0.8
135.11674	5.4
136.04797	0.7
136.07573	1.4
138.03104	1.0
140.97250	0.6
141.05037	0.8
145.02844	0.8
145.06502	1.1
145.10095	0.9
146.08087	1.0
147.89592	0.5
161.13420	0.5
163.03883	100.0
163.07503	1.7
163.08566	2.6
163.11136	5.8
163.12350	3.2
163.14799	56.5
164.04370	5.7
164.07053	2.4
164.10657	0.9
164.15230	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	164.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	57.2
57.03429	0.8
57.05359	0.5
58.99839	0.5
59.57018	0.4
61.01125	0.6
63.02702	1.3
69.03419	0.5
70.06584	2.0
70.06911	0.3
70.37754	1.5
74.02428	19.5
74.06064	23.8
78.95268	0.4
81.00544	0.4
82.01414	2.8
84.04487	8.6
85.02892	2.5
87.42853	0.3
89.03914	0.7
90.04225	2.5
91.05457	1.1
95.51733	0.4
100.02468	11.1
101.00852	5.4
101.02537	0.6
102.05521	100.0
103.05257	0.4
103.05872	1.2
106.07007	0.4
111.03008	0.4
113.53171	0.6
117.03368	0.4
118.03526	8.7
118.06830	1.1
119.01896	28.0
119.04908	1.1
122.53702	1.1
123.04371	0.8
124.02456	1.3
128.07050	0.7
131.54169	0.5
133.03249	1.0
135.04327	0.5
136.04732	4.6
137.02927	10.7
140.54686	0.6
141.05038	0.7
142.03465	25.1
146.03125	2.3
147.04420	2.7
160.04523	9.0
164.04231	4.6
164.07291	2.0
164.08775	0.5
165.05124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36328	0.3
68.66029	0.3
69.65737	1.9
70.06590	1.1
79.23277	0.3
84.08148	1.2
96.08134	0.3
101.76827	0.3
114.09138	1.5
116.04726	100.0
117.05067	2.5
119.01946	0.6
134.05743	0.8
137.02972	0.3
142.08629	0.3
160.03677	17.4
160.09679	2.0
164.95227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0765
Annotation	D-Histidine
Peak:m/z	Relative Intensity
55.01868	1.7
55.05503	1.0
55.93522	0.9
56.05030	0.8
57.03432	2.1
58.99857	0.6
61.02918	4.6
67.01873	0.5
67.05491	0.4
68.05003	0.6
69.03399	0.3
70.06575	1.0
70.95850	15.0
70.99823	0.4
71.02972	0.3
71.15742	0.7
71.95893	0.3
72.08157	1.4
72.93777	11.6
73.02919	1.4
73.93820	0.7
77.00859	0.5
78.52946	1.8
81.04535	0.8
82.01430	3.0
82.01818	0.3
82.05305	1.9
82.06557	0.3
82.99838	0.9
83.01521	0.3
83.05000	0.4
83.06090	8.2
84.08149	1.4
84.99257	0.5
85.02882	1.0
86.09711	0.6
86.52695	0.9
87.00802	0.3
87.02795	0.3
87.53490	0.6
88.96878	3.4
89.00868	0.3
90.94809	2.4
91.02448	0.5
91.05475	0.3
92.52693	1.9
93.02714	0.3
93.04513	5.5
94.52409	0.4
95.01331	1.4
95.01861	0.3
95.06075	6.6
95.53292	0.4
98.09676	0.8
99.04492	0.3
100.02468	10.1
100.07655	0.3
100.52439	0.6
101.00861	13.2
101.01493	0.4
101.02552	2.1
101.53203	1.1
102.00966	1.2
102.02218	1.1
102.94786	0.3
103.00663	0.4
103.01347	0.6
103.02421	1.3
105.51638	0.5
106.97945	0.3
107.53144	0.3
108.95860	0.5
109.52958	0.6
110.02175	1.0
110.07146	100.0
111.05538	0.6
111.07478	1.5
111.98459	7.3
113.00785	0.4
113.02342	0.7
113.53191	0.5
113.96396	1.7
114.04008	1.8
114.52150	0.3
114.94688	0.4
114.96644	0.5
115.01265	0.3
115.02415	1.9
117.01826	0.5
118.03505	4.8
119.01900	57.2
120.01969	4.1
120.03214	0.5
121.01611	0.6
121.03459	0.8
124.02453	2.2
126.98718	0.3
127.03912	0.5
128.08202	0.5
128.51860	0.3
129.99500	4.7
130.99623	0.3
131.01866	1.6
131.97429	1.2
132.01993	1.0
132.05016	2.3
132.95808	19.1
132.97464	0.6
133.01617	1.5
133.02444	0.7
133.03447	11.8
133.05046	0.6
134.03531	1.0
134.04634	0.4
136.07571	0.5
137.02934	19.4
138.03012	1.3
138.05505	0.4
141.05043	0.3
142.03474	31.9
142.55780	0.7
143.01967	0.3
143.03586	2.3
144.99803	1.8
145.03424	0.6
148.05016	0.3
149.02939	0.5
149.97118	0.3
150.06100	0.4
150.96858	38.7
151.02637	0.5
151.04488	4.4
151.97116	0.9
152.04607	0.3
153.01056	0.3
153.53645	0.3
155.97395	2.3
156.03194	0.4
156.05103	2.0
156.06563	0.6
156.07655	13.9
156.10077	1.4
156.13803	0.6
156.15036	0.3
157.03453	0.6
159.01447	0.4
160.02292	0.4
160.04533	10.7
161.02954	0.5
161.04704	0.4
165.02472	0.3
165.05003	0.4
168.01427	2.5
168.97914	1.6
168.99783	1.2
169.01491	0.4
172.99309	0.7
173.98438	3.6
174.03070	0.3
174.06099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0766
Annotation	D-Histidine
Peak:m/z	Relative Intensity
53.55987	0.2
53.77435	0.2
55.01861	0.8
55.93519	0.5
56.05025	0.8
57.03422	1.1
61.02916	1.2
68.05010	1.0
69.03421	0.4
70.06583	0.9
70.29123	1.1
70.95852	8.0
70.96239	0.5
71.02968	0.4
72.08128	0.5
72.93775	7.8
73.02921	0.6
73.93823	0.9
77.00873	0.3
78.52955	0.6
81.04538	0.5
82.01441	0.7
82.05305	1.8
83.06084	7.5
84.08128	0.5
85.02880	0.4
86.09696	0.7
88.96873	1.5
90.94816	2.2
91.02410	0.3
91.94887	0.3
92.52666	0.3
93.04515	6.2
95.01345	0.7
95.01901	0.3
95.06074	6.7
98.09675	0.5
100.02460	3.0
101.00867	3.6
101.02544	1.8
101.53192	0.4
102.00897	0.3
102.02238	1.2
103.02400	1.1
108.95842	0.4
109.03474	0.3
110.07145	100.0
111.05547	0.7
111.06818	0.5
111.07487	1.7
111.98441	3.8
113.96381	1.9
114.04095	0.5
114.52180	0.3
114.96626	0.6
115.01169	0.3
115.02432	0.5
115.08659	0.6
118.03489	1.6
118.18721	0.2
119.01899	18.5
119.03632	1.1
120.02001	1.3
120.03239	0.5
121.01627	0.5
121.03432	0.5
124.02367	0.6
124.79376	0.3
128.07047	0.3
129.99495	1.8
131.01904	0.7
131.97388	1.3
132.02005	0.6
132.05011	0.6
132.95811	9.0
132.97420	0.6
133.01611	0.4
133.03445	4.0
133.05115	0.4
137.02922	6.8
138.02985	0.4
138.05470	1.0
142.03471	11.1
143.03629	0.7
144.03195	0.3
150.96857	19.7
151.04509	1.6
151.97116	0.6
155.97363	1.3
156.04993	0.9
156.06578	0.6
156.07652	13.2
156.13808	0.4
157.08031	0.3
160.04539	4.1
161.04742	0.3
168.01363	0.5
168.97906	0.6
173.98471	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	157.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84375	0.7
53.03933	2.6
55.01860	2.9
55.05503	18.1
56.96551	3.1
57.03426	1.9
57.07076	1.2
57.93552	4.8
65.03918	1.1
67.05159	1.6
67.05498	28.2
69.03410	2.4
69.07060	12.7
70.02946	0.8
70.06584	11.7
70.16577	3.4
70.95860	3.1
71.04984	8.6
71.95877	1.1
72.08143	7.7
72.93777	3.6
73.93828	1.4
74.93820	54.3
75.94596	1.0
79.05483	36.0
79.05952	1.9
80.05820	1.0
81.03384	0.9
81.07056	8.9
83.04971	60.0
83.08617	2.8
84.04512	2.1
84.05289	1.9
84.08127	4.8
85.02893	1.9
85.06557	1.5
86.09696	21.0
87.04449	1.3
87.05582	1.5
88.96880	1.1
89.03931	0.8
90.94846	0.9
91.05480	9.4
92.94850	14.7
93.07035	86.9
93.18821	0.8
93.95630	1.2
94.07364	2.4
95.04958	6.4
95.08595	100.0
96.08917	3.0
97.02892	3.7
97.06524	9.0
97.10155	2.0
98.06040	3.5
98.97581	6.4
102.09144	1.3
105.07025	3.2
109.10156	2.2
110.07195	1.5
110.95883	2.5
111.04439	1.7
111.08083	4.8
111.11681	1.2
112.07601	8.1
112.55763	1.0
112.98609	1.0
113.05968	1.1
115.96426	61.2
116.07078	1.9
116.97250	16.2
116.98578	10.5
117.03363	1.6
119.08593	1.1
121.10124	16.3
128.06195	0.8
129.06992	2.4
129.10239	1.0
130.06465	4.8
130.08566	1.0
131.99557	1.2
132.95830	1.7
133.95914	2.2
133.97458	44.8
134.95848	0.8
134.99619	8.4
139.03912	2.5
139.05887	1.2
139.07590	4.0
139.11151	11.8
140.07051	3.3
142.07809	2.4
150.96855	6.2
151.97012	7.8
152.96915	6.1
153.00687	2.3
156.99086	2.9
157.01244	1.9
157.04984	1.6
157.06403	1.7
157.07593	2.7
157.08710	1.2
157.10023	1.1
157.12170	1.2
158.02515	1.0
158.05989	2.5
158.08153	2.0
158.09637	12.0
158.15381	2.2
170.97910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03933	1.5
55.01867	29.5
55.05503	14.9
57.03427	6.8
59.04995	33.5
60.29169	0.8
65.03931	12.0
66.93581	0.9
67.05167	1.5
67.05496	17.0
68.05025	1.2
68.99788	1.0
69.03427	16.7
69.07058	8.3
70.94244	3.6
70.95838	0.9
71.01340	0.9
71.04965	1.7
71.94076	1.5
77.03938	1.0
79.05483	45.4
80.05038	1.1
80.05807	1.1
81.03439	2.2
81.07042	10.6
83.04969	33.0
83.08590	2.3
85.02892	1.2
87.04441	2.1
88.95258	1.0
91.04891	1.7
91.05466	31.4
93.03378	5.2
93.07028	18.8
95.04955	13.0
95.08585	9.4
97.06517	7.7
97.10158	1.4
98.20712	2.4
105.07017	21.5
107.04943	10.9
107.08582	100.0
108.04403	1.0
108.05725	2.0
108.08900	3.9
109.05794	1.3
109.06508	19.0
109.10136	2.9
110.03632	0.9
111.04430	44.2
111.08070	21.4
111.96806	1.3
115.05452	4.2
117.06984	9.0
119.06059	2.7
121.06490	1.3
123.08054	43.5
124.08388	2.1
125.05999	7.5
125.09617	51.2
126.09935	2.5
129.97893	2.7
133.07574	3.7
135.08040	88.0
135.11674	2.6
136.03940	2.7
136.07495	6.4
136.08389	2.9
148.97429	1.3
149.96385	0.9
153.05470	3.2
153.06599	2.6
153.09090	55.8
153.12685	5.9
153.13773	1.0
154.04997	2.5
154.08620	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	153.0908
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03952	1.5
55.01863	2.4
55.05502	6.5
57.03416	0.7
57.07062	0.7
59.04992	6.5
63.36578	0.5
65.03922	3.5
67.05499	3.5
68.05024	0.7
69.03417	9.8
69.07054	2.0
69.53710	5.2
70.94228	2.6
70.95837	1.3
71.04977	2.7
71.94081	1.3
73.06542	1.4
79.05484	7.1
81.03438	0.5
81.07047	7.0
82.98063	0.5
83.04970	7.0
83.08610	1.4
85.02904	0.5
87.04469	0.8
90.21831	0.5
91.05463	7.4
92.05799	1.6
93.03380	1.6
93.07030	13.1
93.75544	0.6
94.06511	0.5
95.04963	9.0
95.08592	2.1
97.02888	1.0
97.06511	4.5
103.05435	0.6
105.06992	2.5
107.04948	1.8
107.07845	0.9
107.08579	18.3
108.08913	0.7
109.06514	4.6
109.10122	2.5
110.07269	1.3
111.04437	7.8
111.08064	100.0
111.96864	1.5
112.08387	4.1
112.96744	0.7
117.06976	0.6
123.08038	0.5
125.05975	3.6
125.09611	45.9
126.05450	0.6
126.09935	1.6
129.97876	1.3
130.97765	0.8
135.04399	1.3
135.08043	5.9
135.11676	2.7
136.03911	1.7
136.07555	4.1
148.97400	0.8
150.75761	0.5
153.01851	0.9
153.05460	2.3
153.06508	0.8
153.09082	23.7
153.12697	3.7
154.04970	2.0
154.08495	0.8
154.09547	0.8
154.23059	0.5
157.82907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03933	1.5
55.01863	1.5
55.05503	10.0
57.03427	4.1
57.07062	1.8
59.04995	1.5
65.03944	5.0
67.05496	22.4
67.05858	1.1
68.05021	3.5
69.03432	3.5
69.07056	40.5
70.54443	1.2
70.54823	1.1
70.94248	5.0
70.95866	3.6
71.04975	2.6
71.94098	4.0
71.95251	2.0
77.72836	0.7
79.05482	20.7
80.05006	2.0
81.06561	1.3
81.07043	26.8
83.04967	10.7
83.08617	5.6
85.06517	2.3
87.04456	6.5
88.95278	1.2
88.96882	1.2
91.05470	4.4
92.61829	0.6
93.07030	36.7
94.06551	1.6
94.07331	0.9
95.04959	3.4
95.08592	16.9
97.05889	1.2
97.06516	20.2
105.07007	1.2
106.97914	0.7
107.04932	2.6
107.08582	42.9
108.04462	1.1
108.08138	1.0
108.08910	1.7
109.06506	1.8
109.10139	28.9
110.03659	0.9
110.06033	0.9
111.03809	0.7
111.04449	10.1
111.08055	6.7
111.11716	0.9
111.96834	3.2
111.98435	1.2
112.04778	1.0
112.07543	0.8
112.96697	2.1
118.06519	1.2
123.30446	0.6
125.05967	4.7
125.06928	0.8
125.09608	1.0
126.05473	1.8
126.06318	1.5
126.09085	1.2
127.67358	0.6
129.97900	3.0
129.99452	0.8
130.97740	1.4
133.10085	0.6
135.04431	1.3
135.08061	1.8
135.11673	90.7
136.03915	6.6
136.07552	15.3
136.08435	0.6
136.11073	0.6
136.12018	3.5
138.04993	0.8
148.97365	1.2
152.99454	0.7
153.01717	0.6
153.05414	4.3
153.06544	3.9
153.07422	4.1
153.09251	4.2
153.10182	2.4
153.12723	100.0
154.04968	7.1
154.08595	4.3
154.13104	3.4
154.15907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	2-Amino-2-phenylacetic acid
Peak:m/z	Relative Intensity
55.01865	0.2
55.05514	0.2
58.06577	0.2
60.05646	0.3
65.03932	1.0
67.05492	0.4
69.03429	0.4
69.07059	0.5
70.06582	1.1
70.88487	0.6
70.94243	1.1
70.95865	1.1
77.00023	0.2
79.05485	11.3
80.05035	0.3
80.05832	0.2
81.07047	0.5
82.06583	0.3
83.04996	0.4
84.08138	1.0
84.15799	0.2
86.09682	0.3
88.96917	0.4
91.05458	0.7
93.03409	0.4
93.07027	0.4
94.06570	0.3
95.04931	0.5
95.08601	0.2
95.39559	0.2
96.04488	0.2
96.08111	0.5
97.06517	0.6
103.05521	0.2
106.06542	100.0
107.04935	3.8
107.06151	0.4
107.06853	2.9
107.08549	0.6
108.04472	0.2
109.06503	0.2
109.10159	0.3
109.55946	0.2
110.06044	0.3
110.07095	0.4
111.04434	1.6
111.08056	0.3
111.96859	0.4
118.06474	0.2
120.08128	0.4
124.03915	0.3
124.07581	1.0
125.05984	0.6
129.97899	0.5
130.08627	0.4
134.06000	27.7
135.02701	0.3
135.04388	1.3
135.06320	0.8
135.11655	0.4
152.01614	1.3
152.03377	1.6
152.05617	0.4
152.07005	3.0
152.08092	0.3
152.10674	0.2
153.05476	0.7
153.09106	0.4
153.12691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
56.05019	0.7
56.93911	0.5
57.02023	0.6
65.03918	0.7
67.19792	0.6
71.15523	0.6
71.15850	1.3
72.08136	1.4
82.06561	3.4
84.08118	0.6
86.09692	100.0
87.09440	0.6
87.10024	3.2
91.05470	7.4
100.07601	2.0
119.04925	11.5
128.07042	0.9
134.08592	0.6
146.08119	2.2
146.11803	1.8
147.04401	6.9
163.54305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0762
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
55.01865	0.7
56.05029	3.3
57.03418	0.8
58.06576	0.4
60.04509	1.4
60.05629	0.5
61.02921	0.7
67.05499	0.5
67.34469	0.4
69.03420	0.7
70.06586	0.5
71.15999	1.0
72.08143	2.1
73.02897	0.5
73.08490	2.3
74.02428	0.7
81.03426	0.5
84.04492	100.0
84.08131	36.6
85.02872	2.1
85.04832	2.2
85.08446	0.7
86.06061	1.0
87.04448	1.0
87.06403	1.3
88.03986	3.5
88.04776	1.9
90.05537	0.7
91.05485	1.2
95.01324	0.4
95.03425	0.5
97.03214	0.7
100.02472	0.8
100.62653	0.4
101.01703	1.9
101.07133	3.0
102.05528	7.8
103.02433	1.3
103.03186	1.3
109.03221	0.6
111.75839	0.5
113.11526	0.5
114.62518	0.4
116.04008	0.5
119.01929	1.0
119.04932	1.8
120.08086	1.5
121.03446	0.6
129.04094	0.5
130.04984	44.1
130.08609	7.3
131.01776	0.6
131.05315	1.1
133.03476	2.8
147.04431	1.3
147.07672	2.6
147.09618	2.0
147.11220	0.8
151.04478	2.1
157.03497	0.4
157.70827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
52.03144	0.7
53.03927	2.6
55.01863	1.3
56.05033	3.4
56.43925	0.6
58.06576	3.1
59.07358	3.1
59.98871	0.7
61.01139	2.4
65.03931	25.0
67.05495	0.9
69.03425	0.8
69.76509	2.5
69.76937	2.9
70.06564	0.8
79.05484	27.5
80.05803	1.5
84.08125	2.1
85.02895	1.6
85.04820	1.1
87.02653	0.8
91.05476	10.5
93.03379	7.9
93.07032	31.9
94.06561	1.3
95.04967	4.3
98.03639	1.7
103.05457	67.2
104.05214	1.2
104.05803	2.5
105.04455	0.9
105.06985	1.6
107.04946	19.8
107.08580	0.7
108.04516	1.0
109.05128	1.8
111.04438	6.8
120.08072	1.3
121.02853	38.8
121.03954	5.9
121.06478	17.3
121.10094	0.9
122.03186	1.7
122.06023	1.6
122.06820	1.3
123.06640	0.9
123.07110	0.9
123.07906	7.3
126.59480	4.5
127.07047	1.0
131.04921	8.4
133.03146	1.2
133.05066	3.0
149.02330	100.0
149.05962	12.3
149.07054	1.9
149.09592	2.1
150.02678	5.9
150.05525	3.9
150.07733	60.9
167.03391	1.8
167.05501	0.9
169.03514	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03934	3.8
55.01852	3.6
55.05505	6.1
57.03427	3.3
60.19302	1.0
62.14135	1.2
65.03934	26.7
67.05515	1.3
69.03401	4.4
73.92257	1.2
78.04692	1.4
78.60277	1.1
79.05481	21.0
81.07043	2.6
86.59965	1.1
89.03910	2.0
91.05471	92.6
92.05782	1.7
93.03392	8.2
93.07033	56.2
94.06528	1.6
94.07337	2.7
95.04964	6.7
95.07487	1.1
98.03691	1.8
103.05458	8.7
105.04505	1.6
105.07018	30.2
106.07816	1.8
107.04951	14.2
107.08573	8.6
108.04472	1.7
108.08097	1.6
109.06502	5.6
111.04423	5.4
115.05412	2.4
116.06239	8.8
119.08576	5.6
119.86751	1.0
121.02850	42.2
121.03958	7.5
121.05641	1.8
121.06490	26.6
121.09344	1.8
121.10130	38.0
122.03140	1.4
122.05991	2.5
122.06794	2.5
122.10450	2.5
123.08045	6.1
126.53791	1.1
129.06989	4.9
131.08560	32.3
132.08894	2.7
133.06522	1.6
133.07553	2.1
134.07243	2.4
149.02327	100.0
149.05978	5.8
149.09605	97.3
149.13330	2.7
150.02657	7.2
150.03741	2.1
150.05402	2.7
150.08989	2.4
150.09962	5.2
156.82594	1.1
163.41403	1.2
163.93462	1.0
167.03374	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	152.0565
Annotation	Guanine
Peak:m/z	Relative Intensity
53.32353	0.2
55.01846	0.2
55.02988	0.3
56.05014	0.3
57.03427	1.0
58.12019	0.2
58.99850	0.2
61.02919	0.3
69.03408	0.5
70.06574	0.8
70.61344	0.7
70.94247	1.7
70.95850	1.7
72.08147	0.5
73.02910	0.3
75.04720	0.2
79.05460	0.3
81.03378	0.3
82.01422	0.2
82.04048	0.3
84.08123	2.5
85.02885	1.0
88.02658	0.3
88.96886	0.5
91.02452	0.5
92.05001	0.2
92.52700	0.2
96.02366	0.3
96.08109	0.3
97.02888	0.9
100.02471	0.8
101.00871	0.6
101.02541	0.2
103.02422	1.0
106.06525	0.4
107.03500	0.3
107.04966	0.2
109.05117	1.6
110.02269	0.5
110.03506	8.4
110.06034	0.5
110.07142	0.7
110.54414	0.2
111.96833	1.2
111.98486	0.3
115.02437	1.1
116.02459	0.2
117.02144	0.2
117.03963	0.5
118.03526	0.5
119.01897	1.8
120.08113	0.4
121.03448	0.6
121.67750	0.2
123.07903	0.2
124.01817	0.2
128.04533	4.2
129.03940	0.5
129.10225	0.5
129.97890	1.1
130.08582	0.3
131.01874	0.4
133.03438	1.4
134.04611	1.0
134.05965	0.5
135.03003	11.7
135.05132	1.2
136.01399	0.5
137.02914	0.4
140.05005	1.0
145.03442	0.2
147.01376	1.3
147.05023	0.8
149.03683	0.6
149.04732	0.2
150.03583	0.2
152.05659	100.0
152.07013	9.9
153.04054	25.8
153.05957	1.8
153.07240	0.4
154.02460	0.6
154.04425	0.3
161.03004	0.2
167.66331	0.2
170.02972	0.7
174.62129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88204	3.3
58.03904	2.4
69.74649	18.3
101.00851	14.0
104.30513	2.8
118.03567	3.0
119.01901	100.0
120.01989	5.1
137.02934	36.4
142.03497	31.5
143.03491	4.4
160.04556	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	142.0862
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
52.06234	0.4
53.03939	1.0
55.01861	3.0
55.05487	1.7
56.05024	0.8
56.96550	0.4
57.03426	6.2
57.07051	0.5
58.06588	0.6
59.04991	0.8
59.93117	1.9
60.04513	0.7
65.03899	0.5
66.04700	0.4
67.05487	1.3
68.05003	1.4
68.99773	0.6
69.03419	7.9
69.07061	3.8
70.06585	1.0
71.01329	1.0
71.04967	1.3
71.08624	0.5
71.69108	0.5
72.04492	0.5
72.08147	0.9
73.02907	0.4
76.22385	0.4
79.05482	19.3
80.04993	0.5
80.05782	0.6
81.03365	0.4
81.04523	2.0
81.05775	0.7
81.07043	10.8
82.06559	1.0
82.07371	1.3
83.01312	1.1
83.04960	0.8
83.06112	0.4
83.08578	0.8
84.04476	0.4
84.08118	1.5
85.02861	0.4
86.06055	0.6
86.09682	1.2
94.06554	0.5
95.04942	0.8
95.06066	1.0
96.04482	2.4
96.08128	2.6
97.02879	11.4
97.06514	34.5
97.10155	0.6
98.06192	0.3
98.06856	1.6
100.07602	1.2
107.08550	0.4
110.07138	1.3
113.02318	0.5
113.04665	0.4
114.05518	0.7
114.09148	2.8
115.03922	0.5
115.05433	0.4
115.94158	0.4
118.96759	4.3
119.01881	0.5
124.03916	1.3
124.07562	3.9
124.08401	0.6
125.02338	18.0
125.05976	44.7
126.06330	2.2
128.06198	0.9
133.00943	0.4
141.07085	0.4
142.02165	0.8
142.03273	0.9
142.04971	3.5
142.08620	19.8
142.09569	0.8
142.12222	1.1
143.03374	100.0
150.95715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0654
Annotation	Methyl pyroglutamate
Peak:m/z	Relative Intensity
53.03935	0.6
55.01861	0.7
55.05517	0.3
56.05030	4.3
57.03428	0.6
60.04517	0.5
60.05646	2.7
60.95864	0.2
69.03423	0.8
69.07053	0.8
69.59766	0.5
69.60181	1.4
70.06583	6.7
71.04986	3.2
72.08138	1.5
74.07175	0.3
81.03407	1.1
83.04994	0.3
84.04490	100.0
84.08123	3.2
85.02896	3.4
85.04147	0.3
85.04322	0.3
85.04832	2.6
86.09173	0.3
86.09684	4.7
89.03890	1.3
97.02867	0.4
98.06036	3.8
98.09694	0.9
99.04438	9.5
112.08723	0.7
112.21650	0.3
116.07075	4.7
117.03359	0.8
121.00780	0.3
121.01691	0.5
121.96654	0.6
126.02656	0.3
126.05489	0.6
127.03891	1.8
130.09703	0.5
139.01788	0.9
144.03772	1.7
144.04773	0.5
144.06540	11.6
144.07823	0.6
144.08096	0.6
144.10191	0.7
145.04974	1.2
145.06686	0.5
158.09210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76223	4.4
61.79110	3.3
66.38859	3.8
70.37958	16.4
70.38307	5.2
77.69720	4.0
79.89152	4.1
93.65073	3.7
101.00860	19.2
119.01912	100.0
137.02936	45.5
137.49980	25.9
138.00041	8.3
140.00278	4.1
142.03482	36.4
143.03563	3.5
149.00821	12.1
160.04524	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	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
57.03430	8.2
58.99842	2.6
60.11824	1.3
61.02913	3.3
61.84483	1.0
67.29350	1.1
68.02625	2.0
69.03413	7.0
70.28054	2.6
73.02905	8.9
77.00894	3.1
78.52947	3.8
79.02167	2.2
79.03007	1.7
79.51900	2.7
79.52823	2.1
80.28240	0.9
80.52688	1.4
81.01873	2.0
81.03439	5.2
81.04527	53.8
82.01420	4.5
82.06563	1.3
83.06084	3.1
84.08138	1.2
84.52929	2.5
85.02901	7.3
85.53722	1.9
86.03657	1.6
86.52666	3.2
87.01883	1.3
87.53455	2.3
88.02664	6.6
88.03553	1.1
90.02389	1.6
90.52923	2.3
92.52703	1.7
93.01891	5.6
93.02789	2.2
93.52541	1.9
93.53466	7.0
95.01295	2.9
95.01901	1.3
95.06078	31.8
96.02414	1.3
96.06393	1.9
96.08100	1.2
97.02869	4.2
98.52650	2.7
99.05552	1.8
99.53455	7.7
100.02474	18.4
100.52437	2.1
101.00862	20.6
101.02537	2.3
101.53220	3.2
102.02355	11.3
103.82990	1.0
104.52641	2.9
107.01994	1.0
107.06046	1.2
107.53180	2.3
108.53960	1.6
109.02852	1.4
110.53716	2.2
111.02893	9.1
113.00845	2.1
113.53172	8.1
115.02368	1.9
115.52287	1.4
118.01138	2.8
118.03507	12.0
119.01904	100.0
119.03584	3.3
120.01985	3.9
120.03332	3.3
122.53685	8.9
124.02454	5.5
124.05895	2.7
124.07580	1.3
124.08700	4.6
125.07098	35.4
131.01900	6.3
131.54234	3.8
133.03445	2.7
137.02928	30.6
138.03014	1.5
140.54721	4.2
141.02705	3.8
142.03481	42.6
142.06941	2.4
142.08614	3.5
142.09677	1.8
142.12244	1.5
143.01889	4.2
143.03494	5.1
143.08136	28.8
145.03438	2.0
147.01360	1.7
154.03455	5.3
156.05034	1.6
157.03459	2.4
160.04535	13.8
161.02953	8.9
161.04306	1.4
163.59126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20451	1.3
53.03935	4.1
53.43698	1.2
55.01857	4.4
55.05507	24.3
56.05018	1.5
56.96558	15.2
57.03430	2.8
57.07064	3.9
57.11922	1.3
57.93570	9.3
65.03932	25.5
67.05496	26.1
69.03420	12.6
69.07059	20.1
70.06579	3.5
70.14991	7.0
71.04977	5.9
72.08141	2.4
79.05482	40.7
80.05006	4.8
80.05812	2.4
81.03400	1.6
81.04527	2.4
81.07047	10.2
83.04969	100.0
83.06063	4.1
84.05289	4.8
84.08154	2.0
85.06483	1.4
91.05468	18.9
93.03396	8.1
93.07032	96.2
94.06556	10.2
94.07371	5.4
95.04968	16.3
95.06091	1.5
95.08594	68.5
96.04469	2.0
96.08112	2.5
96.08926	2.3
97.02885	4.3
97.06515	15.0
98.97574	18.5
98.98445	9.3
105.07032	3.5
109.10110	2.5
111.04427	59.2
111.06413	1.6
111.08029	1.8
112.03963	5.6
112.04693	2.4
112.07603	8.5
116.96379	2.0
116.97222	26.5
116.98602	23.0
120.43720	1.3
121.02866	8.1
121.03988	5.1
121.06522	3.2
121.10114	16.8
122.02385	2.4
122.06018	5.6
122.10458	1.9
124.09992	1.6
124.67725	1.4
124.83247	1.5
125.02344	6.6
134.99638	19.7
138.05496	4.2
139.03993	10.7
139.04971	4.3
139.05867	9.9
139.07526	4.5
139.08698	3.9
139.11165	31.4
139.12280	10.0
140.03416	12.9
140.04608	3.5
140.07063	9.8
144.55484	1.5
145.16446	1.4
148.96123	2.2
153.00706	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	138.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79966	0.1
53.03929	0.4
63.59149	0.2
65.03918	0.4
67.05486	0.6
69.95839	0.2
71.09695	0.3
78.03438	0.3
79.04200	0.1
89.56197	0.2
92.04987	2.5
93.05780	0.3
94.06549	10.8
95.06868	0.3
96.04484	1.7
110.06020	8.4
111.06340	0.2
117.76316	0.2
138.05470	100.0
139.05806	3.9
154.04958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.23432	0.2
53.03942	0.3
53.25178	0.2
59.33451	0.2
62.73359	0.2
65.03927	0.5
67.05474	0.5
67.11406	0.2
71.05370	0.4
71.05702	0.2
73.35734	0.2
75.66870	0.2
92.04991	2.6
93.05769	0.5
94.06558	12.9
95.06873	0.2
96.04482	2.1
110.06029	9.8
136.03908	0.3
138.05481	100.0
139.05844	3.8
150.63396	0.2
154.04994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03930	4.5
55.01862	4.8
55.05503	26.6
56.96554	16.2
57.03426	1.7
57.07079	1.9
57.93563	10.4
65.03932	12.1
67.05162	2.0
67.05500	28.8
68.05029	2.8
69.03416	16.9
69.07060	24.8
70.06586	4.3
71.04977	6.4
71.51665	2.4
72.08140	2.9
75.89619	1.4
79.05484	42.1
80.04988	3.6
81.04528	1.7
81.07039	10.1
83.04971	100.0
83.54210	1.4
84.04495	2.2
84.05302	4.0
84.08133	3.1
91.05466	19.4
93.03377	4.6
93.07034	95.0
94.02925	1.6
94.06554	10.6
94.07347	3.8
95.04961	17.3
95.08598	65.8
96.04503	2.3
96.08131	2.3
96.08927	2.1
96.60214	1.5
97.03996	2.4
97.06520	12.6
97.10164	2.0
98.06049	1.6
98.07147	1.6
98.97569	24.2
98.98450	12.5
105.07030	6.0
109.10165	2.4
110.06100	1.7
111.04429	30.0
111.06341	2.6
111.08056	2.6
112.03943	6.7
112.04730	2.5
112.07598	5.5
116.97222	32.7
116.98583	29.4
121.02882	8.0
121.03973	4.1
121.06467	3.3
121.10123	15.6
122.06026	7.3
125.02363	2.9
134.99634	30.9
135.00630	2.0
138.05489	5.6
139.03885	9.9
139.05000	4.6
139.05908	12.2
139.07527	5.4
139.08679	4.3
139.11153	30.7
140.03397	11.8
140.04398	1.8
140.06065	1.4
140.07039	8.2
140.11511	1.6
148.96176	2.6
153.00716	6.1
156.02924	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05490	1.5
61.17824	0.6
65.03921	0.9
67.05493	19.5
69.03400	0.7
69.07050	0.9
69.33183	0.6
69.65994	1.4
69.66418	3.6
79.05466	2.0
81.07050	7.0
91.05466	10.1
92.05796	0.9
93.07030	3.5
94.04180	3.4
95.04954	3.7
95.08589	5.7
97.32938	0.6
104.06226	0.6
105.10551	0.5
107.04934	9.1
107.08556	1.2
109.06519	4.5
109.10144	28.5
109.10890	1.4
110.06037	1.0
110.10468	1.1
117.06984	1.4
119.04951	0.7
119.08562	11.8
121.06483	5.3
122.03651	5.2
122.07270	56.7
123.07590	1.6
135.08031	2.3
137.02477	1.8
137.05969	13.9
137.09596	100.0
138.05482	7.4
138.06467	0.9
138.09042	0.6
138.09959	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	137.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05496	1.0
60.59559	0.4
65.03918	0.8
67.05131	0.8
67.05494	15.9
69.03399	1.1
69.07049	0.6
71.47250	0.4
76.77699	0.5
79.05473	2.0
81.07040	7.2
84.08125	0.7
85.41315	0.5
91.05459	8.4
92.05788	0.6
93.07030	3.5
94.04186	2.5
94.06548	1.1
94.07805	0.9
95.04960	1.3
95.08588	6.0
96.01891	0.5
98.21522	1.1
103.05431	0.9
107.04935	8.9
107.08565	1.6
109.06493	1.7
109.10136	24.9
110.06016	1.7
110.10502	1.1
117.06989	1.4
119.04877	0.6
119.08560	11.3
120.04456	0.6
121.06495	4.2
121.44366	0.5
122.03664	3.3
122.07263	60.8
123.07597	1.8
135.08031	2.7
137.02415	1.9
137.05971	11.0
137.09589	100.0
138.01784	0.5
138.05478	6.7
138.06419	0.9
138.09200	0.7
138.09976	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02393	0.4
53.03943	0.5
55.01890	0.4
65.03934	0.5
66.04707	2.3
67.05495	0.5
70.15993	1.7
74.48801	0.3
77.03945	0.3
79.05487	2.6
81.07043	1.2
91.05464	3.2
94.04176	24.1
95.04491	0.9
95.04968	0.8
95.08575	0.5
107.04958	1.5
109.06520	0.5
110.05977	0.3
119.04900	0.4
122.03632	43.4
123.03971	2.1
135.04349	0.5
137.05957	100.0
138.01733	0.4
138.05431	1.3
138.06311	4.7
138.09160	0.4
157.07893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03921	1.9
55.01857	1.7
55.05500	3.2
57.03409	0.9
59.32835	0.6
65.03922	1.5
67.01840	0.5
67.05494	37.1
68.05820	0.8
69.03413	2.6
69.07047	1.2
70.80863	1.1
75.98867	0.5
79.05477	5.7
81.03413	3.3
81.07037	12.8
83.04967	2.0
87.12625	0.5
91.05473	14.9
92.05801	0.5
92.58039	0.5
93.07025	5.0
94.04173	0.9
94.07786	1.4
95.04954	10.4
95.08604	7.3
103.05466	0.8
107.04931	9.0
107.08578	4.1
108.05737	1.4
109.06503	37.4
109.10140	40.5
110.06847	1.3
110.10458	1.3
117.07018	2.6
119.06052	1.7
119.08559	13.6
121.06475	3.6
122.03654	0.7
122.07269	41.2
123.07607	0.9
134.53830	0.5
135.08031	2.5
137.06020	2.6
137.09596	100.0
138.09979	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	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03927	0.8
55.05491	1.1
59.46096	0.5
65.03930	0.7
67.05495	16.5
67.11315	0.5
68.05828	0.7
69.03385	0.9
69.07063	0.8
71.69548	0.7
79.05466	1.9
81.07042	6.1
86.97116	0.5
90.31647	0.5
91.05466	6.5
92.05814	0.6
93.07040	3.5
94.04176	4.1
94.06535	0.7
94.07809	0.5
95.04957	2.1
95.08594	5.1
95.10075	0.5
103.05494	0.7
107.04945	9.1
107.08591	1.0
108.82287	0.6
109.06480	2.0
109.10144	23.5
110.06048	1.1
110.10496	0.6
117.07010	0.9
119.08565	12.2
119.09365	0.9
120.08868	0.9
121.06472	5.0
122.03648	7.9
122.07270	56.5
123.07581	1.6
135.08057	2.7
137.02460	0.7
137.05971	22.0
137.09596	100.0
138.05449	5.8
138.06303	0.7
138.09023	0.8
138.09918	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	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
50.26039	0.4
55.39926	0.3
56.69789	0.4
62.39522	0.4
70.06597	0.6
71.13937	0.8
71.14285	0.5
81.07044	0.4
91.05479	1.5
92.81918	0.3
94.04036	2.0
100.88828	0.3
116.66785	0.3
119.03543	5.5
119.04884	0.4
126.52872	0.3
136.02177	2.8
136.06168	100.0
137.04591	4.3
137.06641	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03922	1.2
59.69882	0.6
63.03695	0.5
65.03925	1.8
66.04704	3.3
66.75766	0.5
67.05485	2.8
69.03423	0.8
69.92432	2.1
69.92844	1.4
75.09299	0.5
79.05491	3.1
79.98461	0.6
81.07047	6.3
89.22297	0.6
91.05467	9.2
92.04980	0.8
92.05798	1.3
93.05783	1.0
93.07026	3.3
94.04173	24.6
94.06546	2.2
95.04427	0.8
95.04955	2.9
95.07333	0.6
95.08568	3.0
97.02603	0.5
107.04936	1.8
107.87613	0.5
109.06489	3.4
110.06029	4.0
119.04923	2.7
120.04440	2.3
121.02910	0.8
122.03634	43.2
123.03946	1.7
137.02510	6.8
137.05954	100.0
137.09525	3.4
138.01762	3.1
138.05469	13.8
138.06348	3.9
138.09111	3.8
140.95123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0599
Annotation	o-Tolyl isocyanate
Peak:m/z	Relative Intensity
53.03931	0.3
65.73855	0.2
66.89469	0.2
70.69171	0.8
70.69508	0.3
72.77312	0.2
74.02434	0.7
79.05479	20.0
80.05813	0.6
88.03951	0.3
88.58963	0.2
89.03889	1.1
91.05476	0.4
95.04945	0.5
97.39904	0.2
106.06534	100.0
107.04954	1.8
107.06192	0.5
107.06859	3.7
117.03357	0.7
127.41836	0.3
134.05991	19.0
135.04405	2.5
135.06375	1.0
135.08095	0.3
135.09117	0.3
148.41757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02337	0.8
53.03941	4.2
55.01861	1.8
55.05489	1.5
63.02357	1.8
64.96983	0.7
65.03933	1.0
67.05511	1.3
69.03402	2.2
77.03925	1.0
77.65033	0.7
79.05486	29.5
79.05953	1.4
80.05003	1.5
80.05794	1.5
81.07051	1.1
87.51718	0.8
89.03911	69.4
90.04229	2.0
90.04706	0.7
91.05473	23.2
93.05753	0.9
93.07037	5.3
95.04963	10.9
105.04487	2.3
105.07009	3.0
107.04945	37.2
107.06874	1.0
107.08578	13.4
108.04459	1.5
108.05253	1.4
109.01120	1.8
109.06493	2.7
115.05411	1.2
117.03368	31.1
117.07005	1.8
118.03691	1.7
118.06559	2.2
119.03526	1.0
119.08590	1.7
130.06480	0.8
130.65276	0.8
135.04407	100.0
135.08031	16.4
135.09077	0.7
135.11679	4.9
136.02148	43.0
136.03874	2.4
136.04893	4.4
136.06178	20.0
136.07562	18.6
136.08383	0.6
137.04500	1.0
140.02037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03937	3.2
55.01858	2.0
55.05525	0.5
56.96550	0.6
57.03429	1.5
61.15295	0.6
63.02370	1.1
65.03930	1.5
67.05497	1.4
68.05037	1.0
69.03424	3.9
69.07052	1.3
69.72427	1.8
69.72859	1.9
70.06582	0.6
71.01332	0.6
72.08170	0.8
79.05482	19.2
80.05020	2.8
80.05807	1.0
81.03442	0.6
83.06096	1.7
84.08134	4.9
86.09689	5.9
86.54235	0.8
89.03907	36.3
90.04234	1.1
90.04705	5.9
90.54429	0.7
91.05466	28.3
91.17593	0.6
93.04523	1.3
93.05767	2.2
93.07037	3.7
94.02915	0.7
94.04050	1.9
94.06547	2.8
95.04958	8.8
95.06082	0.9
103.55125	0.7
104.04425	2.9
104.05509	0.5
105.04533	2.9
105.07023	1.3
106.06536	1.0
107.04940	34.1
107.06889	1.8
107.08575	7.7
108.04470	1.2
108.05276	1.6
108.08121	2.1
109.01096	2.7
109.06523	0.9
110.07154	17.9
111.07506	0.9
111.54950	5.5
112.05168	1.6
112.55730	60.0
113.05908	9.3
113.96261	0.7
115.05424	1.2
117.03366	17.9
117.05719	0.8
117.07017	1.2
117.54964	1.8
118.06531	10.4
119.03552	4.0
119.04920	5.7
126.06265	1.0
126.55525	2.8
128.06245	0.6
133.07021	4.3
134.06035	1.0
135.04407	62.8
135.05472	3.9
135.06613	2.7
135.08044	4.0
135.09155	1.8
135.11687	2.6
136.02147	62.3
136.03909	5.3
136.05043	4.2
136.06177	100.0
136.07552	24.3
136.11194	1.2
137.04565	4.7
145.03992	0.8
153.06851	0.8
154.07663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0447
Annotation	D-Aspartate
Peak:m/z	Relative Intensity
57.03418	17.2
66.27297	7.8
70.94855	9.2
71.04139	20.5
71.04974	23.5
73.35515	7.2
74.02426	100.0
74.67492	7.5
75.02753	23.0
87.05529	9.1
88.03986	52.2
88.05910	20.0
100.02499	9.4
108.50827	8.2
116.03349	9.3
117.03770	11.6
119.01877	10.6
128.34840	7.9
134.04485	12.2
142.03493	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	134.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	17.2
66.27297	7.8
70.94855	9.2
71.04139	20.5
71.04974	23.5
73.35515	7.2
74.02426	100.0
74.67492	7.5
75.02753	23.0
87.05529	9.1
88.03986	52.2
88.05910	20.0
100.02499	9.4
108.50827	8.2
116.03349	9.3
117.03770	11.6
119.01877	10.6
128.34840	7.9
134.04485	12.2
142.03493	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.90238	0.4
55.05494	1.7
64.59121	0.3
64.85097	0.3
64.97136	0.3
66.88177	0.4
69.48672	0.4
69.48972	3.9
74.02420	1.1
79.05477	3.1
87.05562	0.9
88.03979	0.5
91.05470	10.8
93.07030	3.4
95.04955	0.5
102.77670	0.4
103.05449	1.6
105.07016	34.0
106.07330	1.2
107.08556	0.8
115.05454	3.6
116.06252	0.9
117.07006	2.9
118.07802	5.5
129.06969	0.4
131.08556	6.2
132.08856	0.4
133.03026	0.4
133.10109	100.0
134.10448	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.05492	1.5
60.61401	0.3
64.24854	0.3
66.03825	0.3
70.81738	1.0
70.94437	0.3
74.02419	0.9
75.02485	0.4
75.02986	0.3
79.05485	3.5
91.05466	11.3
93.07042	2.8
95.04962	0.8
103.05450	1.5
105.07018	34.1
106.07350	0.9
107.08548	0.5
115.05445	3.9
117.07002	4.1
118.07797	5.1
131.08545	4.8
133.10110	100.0
134.10455	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05492	1.3
64.77370	0.3
66.04814	0.3
67.05470	0.3
67.49484	0.3
72.91962	0.3
74.02426	1.1
79.05476	3.7
87.05581	0.5
88.02191	0.3
91.05468	11.2
92.05772	0.3
93.07034	3.0
95.04948	0.6
97.02805	0.4
103.05462	1.7
105.07018	35.5
106.07350	1.3
107.08538	0.6
115.05431	4.2
116.06241	0.6
117.07001	3.5
118.07805	5.1
129.06949	0.5
131.08543	5.0
133.10114	100.0
134.06020	0.5
134.10446	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02364	0.3
53.03937	1.3
55.01863	0.5
55.05506	2.0
56.05013	0.6
61.10526	0.3
67.05483	0.5
69.03424	0.7
69.70530	0.3
70.02944	0.6
70.06573	1.4
71.04983	0.5
71.69560	0.5
73.02921	0.4
74.02431	10.2
74.06052	0.5
77.03880	0.3
79.05484	4.4
87.05588	4.0
87.10029	0.9
88.02201	1.7
88.03980	2.2
91.04890	0.7
91.05464	13.4
92.05761	0.5
93.07033	3.6
95.04962	1.3
97.02869	0.7
103.05450	2.1
105.03381	0.6
105.07014	48.9
106.06540	1.3
106.07355	1.9
107.08572	0.7
109.06404	0.3
112.02178	0.3
113.91792	0.3
115.05427	4.0
116.03455	0.9
116.06184	1.0
116.07050	0.8
117.07007	3.7
118.04176	0.4
118.07790	4.6
122.24977	0.3
123.07931	0.9
129.06958	0.4
131.08551	5.3
132.08864	0.4
133.02847	1.2
133.06573	5.4
133.10107	100.0
134.05974	2.6
134.06981	0.7
134.09636	0.6
134.10457	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03927	1.3
55.01849	0.4
55.05487	1.9
59.71779	0.4
67.79673	0.4
69.03429	0.8
69.67381	0.9
69.67788	2.5
70.02927	0.7
70.03837	0.4
70.06577	1.2
71.04992	0.9
73.02896	0.7
73.06539	0.7
74.02033	0.8
74.02429	10.6
74.06052	0.7
77.03918	0.6
79.05478	5.1
86.09692	0.6
87.05581	4.2
87.10027	1.0
88.02192	1.5
88.03958	2.4
91.05470	16.2
92.05792	0.6
93.07030	4.2
95.04963	1.1
97.02867	1.1
103.05465	3.0
104.06204	0.4
105.03366	1.2
105.07018	56.5
106.06614	0.8
106.07350	3.0
107.08601	0.9
115.05437	5.1
116.03445	1.0
116.06265	0.6
116.07080	0.6
117.07009	4.0
118.07806	5.6
129.07013	0.5
131.08563	8.5
132.08888	0.6
133.02861	2.1
133.06503	10.2
133.10112	100.0
134.05994	1.6
134.06961	0.7
134.09622	0.5
134.10466	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05496	1.4
67.05471	0.5
69.36745	0.5
69.37148	4.0
74.02422	1.3
78.97836	0.3
79.05487	3.1
87.05610	0.4
91.05470	10.4
92.05780	0.4
93.07028	3.1
95.04939	0.8
99.39631	0.4
103.05444	1.6
105.07021	32.3
106.07344	1.0
107.08572	0.9
115.05441	3.0
116.06238	0.8
117.07014	3.7
118.07800	4.6
131.08545	4.5
133.10117	100.0
134.10435	4.5
142.97548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01869	1.0
55.05503	5.3
56.05032	5.8
57.04532	0.7
57.07054	1.4
58.06586	2.1
59.06120	6.4
65.81245	0.6
67.02975	1.6
67.05505	1.1
68.05019	8.0
69.03421	1.2
69.04551	1.5
69.07058	25.4
70.06577	4.1
70.07394	0.7
71.06108	0.7
71.44180	1.4
75.44396	0.6
79.05490	1.0
80.05003	15.4
81.03409	0.8
81.04527	2.4
81.07047	1.2
82.06567	12.8
83.06091	52.4
83.08601	6.1
84.04496	7.9
84.05614	6.8
84.06427	5.8
84.06869	1.5
84.08123	5.0
85.04018	3.9
85.07658	5.9
86.08432	1.3
95.06084	0.7
96.04483	1.3
96.06857	0.8
96.08116	3.0
96.67914	0.7
97.02887	3.0
97.04162	1.0
97.04782	5.7
97.06551	1.0
97.07666	3.5
98.06033	5.8
98.07166	2.1
98.07958	0.7
98.09708	1.3
99.09193	1.3
101.36458	0.6
103.39793	0.6
107.06044	0.8
107.08598	0.7
108.04477	5.2
108.05580	0.7
108.06328	0.9
108.08137	1.0
109.07624	7.9
111.05544	0.8
112.06261	0.7
122.40672	0.6
125.01299	0.5
125.02332	2.1
125.03469	1.2
125.04289	7.4
125.05997	2.3
125.07103	12.8
125.08250	38.6
125.09040	100.0
125.10738	9.7
126.05499	24.8
126.06605	9.5
126.07701	1.1
126.09233	5.0
126.10234	21.6
126.12759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
54.49049	0.5
57.05092	0.5
69.07053	1.1
69.71160	2.6
69.71589	1.5
74.02441	1.3
75.00389	0.5
84.10397	0.5
86.09694	100.0
86.91137	0.5
87.05564	0.5
87.10033	1.7
100.02512	0.5
103.24763	0.5
132.10178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01849	0.4
55.05487	1.9
59.71779	0.4
67.79673	0.4
69.03429	0.8
69.67381	0.9
69.67788	2.5
70.02927	0.7
70.03837	0.4
70.06577	1.2
71.04992	0.9
73.02896	0.7
73.06539	0.7
74.02033	0.8
74.02429	10.6
74.06052	0.7
77.03918	0.6
79.05478	5.1
86.09692	0.6
87.05581	4.2
87.10027	1.0
88.02192	1.5
88.03958	2.4
91.05470	16.2
92.05792	0.6
93.07030	4.2
95.04963	1.1
97.02867	1.1
103.05465	3.0
104.06204	0.4
105.03366	1.2
105.07018	56.5
106.06614	0.8
106.07350	3.0
107.08601	0.9
115.05437	5.1
116.03445	1.0
116.06265	0.6
116.07080	0.6
117.07009	4.0
118.07806	5.6
129.07013	0.5
131.08563	8.5
132.08888	0.6
133.02861	2.1
133.06503	10.2
133.10112	100.0
134.05994	1.6
134.06961	0.7
134.09622	0.5
134.10466	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28949	0.6
55.05487	0.9
58.99851	0.8
63.96708	0.6
67.49478	0.6
70.06561	0.9
71.02980	1.2
72.08131	1.9
78.06298	1.3
80.04990	1.9
82.01429	20.8
83.01508	1.4
84.08138	2.7
86.60402	0.6
87.05790	0.7
95.04943	1.2
96.04468	2.5
100.02464	100.0
100.98438	0.5
101.00864	10.8
101.02544	5.3
117.10291	0.9
118.03500	66.9
119.01903	71.9
119.03603	4.3
123.04061	1.2
123.05520	9.3
124.03926	2.3
137.02934	29.2
141.05052	1.8
142.03468	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	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66326	0.8
53.90202	0.7
58.99834	1.8
67.02981	0.7
71.04631	2.0
77.00835	0.8
82.01428	14.6
100.02462	100.0
101.00865	5.4
101.02534	7.0
105.81026	0.8
118.03497	66.6
118.89314	0.8
119.01899	37.7
119.03586	6.2
123.04020	1.5
137.02931	18.3
141.05017	1.7
142.03456	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99847	2.1
61.02911	1.5
61.22162	0.8
63.96613	0.9
66.87906	0.8
69.03402	1.1
69.60195	6.5
69.60616	2.4
72.08134	1.9
73.02902	1.6
75.69121	0.9
77.00892	2.1
77.95633	1.0
80.05000	2.3
82.01434	13.7
84.08140	1.9
86.52682	1.0
94.54257	1.2
95.04988	1.8
96.04471	2.5
97.02866	1.2
97.55231	0.8
100.02469	100.0
101.00861	5.0
101.02562	4.2
102.02350	0.9
118.03506	72.1
119.01900	32.5
119.03590	4.4
123.04077	3.0
123.05523	6.6
124.03942	4.0
131.01874	2.0
133.03444	1.8
134.95329	0.9
137.02942	12.9
141.05080	1.6
142.03459	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	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01585	0.5
51.02368	1.5
53.03938	3.3
55.01852	0.8
55.05484	0.8
56.94988	0.2
58.06581	0.6
58.80205	0.2
59.07359	0.8
60.05618	0.2
60.08149	0.3
65.03938	1.1
65.04200	0.2
67.05492	6.3
68.04993	0.3
69.79623	0.8
69.80053	0.7
70.06579	1.7
72.08142	1.7
73.54078	0.2
77.03917	5.5
78.03429	0.9
78.04691	0.2
78.06315	2.4
79.05458	1.0
80.05002	11.0
81.03387	0.5
81.07046	1.2
82.01433	1.2
84.08130	3.7
92.07820	0.4
95.04949	16.0
95.08572	0.6
96.04475	19.1
97.05276	0.6
98.52848	0.4
99.09175	0.3
100.02463	7.4
100.07583	0.3
101.00829	0.6
101.02534	0.5
102.42466	0.2
105.03375	9.8
105.04429	1.6
106.02882	0.7
106.03662	0.3
112.03956	1.1
114.64280	0.2
117.10226	1.8
118.03498	5.5
119.01907	3.6
123.04399	100.0
123.05499	42.4
123.11595	0.3
124.03933	23.6
124.04752	3.2
124.05853	1.3
124.07562	0.9
124.08594	0.3
130.08615	0.5
137.02911	2.2
140.03404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03922	1.1
56.05024	1.9
60.04519	1.1
65.03934	3.3
65.26833	0.4
67.05492	0.4
69.38601	1.4
69.39021	3.1
74.06062	3.6
77.04367	0.4
77.93481	0.4
78.04675	0.5
79.05112	0.5
79.05486	4.1
91.05467	76.6
92.04952	0.6
92.05809	2.5
93.07034	4.8
95.04937	2.3
96.04486	1.8
98.21457	0.7
102.05533	1.6
103.05451	13.9
104.06235	6.2
105.04496	0.6
109.06482	1.3
115.05442	2.5
117.07005	15.8
118.07349	0.8
119.04931	6.3
119.06194	2.2
119.08563	100.0
120.04536	0.9
120.05567	2.1
120.08082	19.1
120.08907	4.9
121.06461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
53.64388	0.4
56.05017	1.8
59.55422	0.4
59.55756	0.4
59.94822	0.4
60.04507	0.7
65.03922	0.7
69.38407	1.1
69.38818	4.7
74.06077	2.5
79.05479	1.1
83.53052	0.4
91.05461	6.0
92.05823	0.8
93.07030	11.5
95.04957	2.2
102.04662	0.7
102.05509	1.0
103.05449	45.5
104.05799	2.5
105.04510	0.6
105.07018	0.6
118.06491	0.8
119.07283	0.6
120.05569	2.5
120.08083	100.0
121.06464	1.4
121.08446	5.7
121.10146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.2
56.05028	6.3
60.04519	2.5
63.48476	0.5
63.95793	0.4
65.03923	1.9
71.72285	0.7
74.06072	9.6
79.05485	1.7
91.05458	9.9
92.04993	0.8
92.05805	3.6
93.07035	13.4
95.04955	3.4
100.10958	0.5
102.05538	3.1
103.05455	47.7
104.05801	2.7
105.04514	1.0
105.07024	0.9
110.06058	1.0
119.07305	1.0
120.04461	2.6
120.05593	6.4
120.08092	100.0
121.02860	1.1
121.03974	1.7
121.06524	6.0
121.07577	1.4
121.08388	4.6
121.10123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.5
53.03931	1.0
56.05033	0.5
63.51267	0.4
68.39615	0.4
71.36562	0.8
74.06042	0.6
79.05448	0.4
91.05460	4.7
93.06474	0.8
93.07029	9.5
95.04940	1.5
103.05453	43.8
104.05777	1.2
109.14671	0.4
118.06526	1.0
120.08086	100.0
121.08434	4.6
138.09581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47903	0.5
51.10096	0.4
53.77385	0.5
57.29528	0.5
58.99853	1.6
70.87879	1.0
75.13239	0.5
75.32526	0.5
77.00906	0.9
80.05001	1.6
82.01427	15.1
82.99815	0.9
83.01499	1.2
95.04939	2.4
96.04480	3.2
100.02467	100.0
101.00861	9.0
101.02551	6.0
118.03505	73.2
119.01904	69.3
119.02814	0.9
119.03596	6.4
120.03987	0.7
123.04052	2.4
123.04652	0.7
123.05501	4.7
124.03951	5.0
130.98047	0.5
137.02933	35.9
141.05035	2.3
142.03476	5.1
142.05127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
56.05030	3.7
60.04510	1.3
65.03931	4.0
67.05488	0.7
71.02030	1.0
71.02376	0.6
72.08144	0.7
72.73093	0.4
73.08488	0.9
74.06066	5.5
77.55108	0.4
78.04682	0.6
78.93095	0.6
79.05480	5.7
87.74258	0.5
91.05470	100.0
92.04988	1.6
92.05789	2.8
93.07037	6.2
95.04955	2.5
96.04497	1.4
102.05533	2.1
103.05455	19.0
104.06247	6.7
105.04518	0.4
109.06477	1.5
115.05447	2.8
117.07007	17.5
117.07849	0.9
118.06541	0.5
118.07349	0.7
119.04932	10.1
119.06058	2.9
119.08567	97.8
120.04452	1.4
120.05560	3.9
120.08090	25.1
120.08908	4.9
121.06477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0863
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03928	0.4
55.05502	14.6
56.05823	0.3
57.05799	0.6
58.06596	0.2
59.04983	0.4
59.07351	0.3
60.04506	0.2
69.03394	0.4
70.06596	0.2
70.85690	0.6
72.08141	100.0
73.08473	2.2
73.11031	0.2
84.08115	0.4
91.05466	0.5
94.54266	0.3
100.02497	0.5
100.07629	0.2
101.05983	0.3
106.05023	0.4
112.07613	0.8
118.03517	0.7
118.08622	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
56.04999	1.8
65.52140	1.8
67.02135	1.6
67.05486	3.8
69.03422	39.2
70.86844	4.5
70.87186	2.4
71.02960	5.4
73.06533	5.6
77.00874	1.9
78.52939	3.6
80.03463	3.2
82.01434	10.0
83.01537	2.5
84.01196	3.1
86.10883	1.9
86.52692	3.1
87.53468	7.3
91.05464	5.5
93.53473	9.7
94.03555	1.9
100.02475	49.8
100.03139	3.2
101.00880	12.2
101.02538	14.4
102.02245	8.6
103.02445	3.6
103.53658	1.6
104.52740	1.6
106.02660	5.2
107.53159	6.8
112.07552	2.9
116.05767	7.3
116.53728	3.4
116.55895	2.2
118.03502	36.2
119.01906	100.0
119.03599	10.5
120.02010	7.1
120.03250	7.3
121.03459	3.8
123.04024	2.3
133.03426	3.6
137.02940	56.2
138.03047	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07193	0.9
56.05013	1.5
58.99855	1.4
59.52200	0.8
60.04507	2.9
68.05025	0.8
68.67299	0.9
69.03422	6.4
69.07056	6.5
70.45653	2.7
71.02942	1.1
72.52923	1.0
73.02911	1.2
74.06067	1.2
77.00896	2.3
77.49500	0.9
80.03465	1.0
82.01426	3.8
83.01514	1.1
86.52687	1.2
87.53471	2.2
91.05466	9.5
94.05037	6.1
95.01904	1.1
95.54091	1.4
96.02435	1.6
96.54030	0.9
100.01844	1.7
100.02467	18.8
101.00864	12.4
101.02570	2.1
102.02216	3.7
102.53977	1.2
103.02473	1.1
103.05497	4.0
107.04917	1.6
107.53142	1.3
108.04771	1.6
112.07566	1.4
115.02454	1.1
118.03500	13.6
119.01904	100.0
119.04925	3.6
120.01978	6.6
120.03248	2.2
120.08089	4.7
121.03545	1.1
131.01880	2.2
132.05222	1.0
133.03398	1.1
137.02936	49.5
138.03035	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.94296	0.7
53.03936	1.7
53.46185	0.6
55.05505	15.0
55.05766	1.4
56.05021	1.3
57.03414	0.9
57.05814	0.9
58.02952	1.6
58.06602	1.8
59.06118	2.5
59.93103	1.1
60.04525	1.1
61.01139	2.9
61.15232	0.7
65.03931	3.8
70.06581	2.0
70.33080	1.2
70.33498	2.1
71.04985	2.7
72.04505	1.9
72.08144	100.0
73.02905	1.8
73.08486	1.9
74.06072	0.9
76.03986	0.9
76.48396	0.8
76.93367	9.8
79.05486	1.4
83.08620	0.8
83.52336	0.7
87.43308	0.7
89.03889	0.8
90.03751	1.0
90.04241	1.5
91.05467	93.7
92.52812	0.9
94.94383	4.9
95.04964	4.6
96.04502	0.8
100.07600	3.6
103.05460	0.7
105.49271	0.7
117.05748	2.8
117.95968	1.5
118.06523	99.0
118.08607	6.0
118.96783	0.8
119.04981	10.6
119.06044	3.8
119.06876	3.6
119.08563	12.3
135.97023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39520	0.9
55.01851	2.0
55.05502	1.1
56.05009	1.7
56.13811	1.2
58.99841	6.2
59.52184	1.1
60.04510	10.9
67.05484	6.4
68.52683	1.2
69.03040	1.5
69.03415	29.2
69.07044	1.3
70.02871	2.1
70.03270	3.7
71.02959	3.8
72.04504	2.9
72.08129	3.4
73.06522	1.0
74.52692	1.9
77.00900	4.1
78.52938	3.4
79.43586	1.0
80.03449	1.1
82.01424	18.1
82.06534	1.1
83.01521	1.6
84.07629	2.3
84.08122	26.2
85.08458	1.9
85.53716	2.6
86.52671	1.7
87.02435	5.0
87.53442	5.9
88.02295	1.5
91.05449	2.7
92.54517	1.2
93.53448	5.1
94.06539	2.4
94.54237	4.0
94.54794	1.3
95.04929	2.8
100.02461	100.0
101.00861	4.8
101.02507	6.7
102.02215	3.4
102.02848	1.3
102.04034	1.8
103.02419	3.1
103.54745	5.4
104.04897	1.8
106.04396	1.8
106.05029	16.9
106.55104	2.4
106.56097	1.3
107.04888	3.4
107.53181	3.4
111.06833	1.1
112.07574	18.9
115.05554	9.8
115.55588	1.6
116.05830	2.4
116.55840	1.4
118.03494	73.1
119.01893	40.2
119.03611	4.5
120.03242	2.1
121.03464	2.1
123.04052	2.3
130.08623	2.9
131.01801	1.3
133.03453	3.8
135.04996	1.4
137.02936	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	6.2
53.03940	33.1
55.05511	17.3
58.06583	4.1
65.03917	2.5
69.87833	16.0
72.08146	90.4
73.08475	3.6
75.84360	2.0
77.03905	4.2
77.82552	2.5
79.05487	3.8
81.03406	3.6
81.89130	2.1
83.52376	2.6
83.64546	2.0
91.05472	82.3
95.04957	78.6
96.04505	20.7
96.05132	3.3
98.21514	2.6
100.07606	2.5
102.69925	2.4
105.04509	11.5
108.97443	2.0
110.04864	2.2
112.25674	2.3
117.07013	5.8
118.03243	2.3
118.06531	100.0
118.07291	5.7
118.08598	12.7
119.04948	3.3
119.06050	12.9
119.06874	5.8
119.08569	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	1152.6431
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07047	17.4
83.08614	3.1
91.05473	7.9
93.07031	18.4
94.07803	1.2
95.04949	1.3
95.08600	19.0
97.06512	1.4
97.10153	1.4
98.98448	7.3
105.07011	6.1
107.08582	9.1
108.32185	1.5
109.10124	8.7
117.06970	2.1
119.08549	6.3
121.10143	7.4
121.98703	1.2
123.11688	1.2
124.50580	1.2
131.08591	3.4
133.10138	3.8
135.11693	3.1
142.02689	2.0
145.10136	2.5
147.11740	2.0
149.13179	2.0
155.01028	2.2
159.11574	1.1
161.13240	1.8
198.05287	2.4
216.06267	3.9
243.21031	2.3
245.72461	1.2
261.22171	7.3
303.49542	1.3
304.26361	13.9
335.25760	100.0
336.26215	3.7
406.61203	1.4
415.22324	7.0
458.26666	54.8
476.27701	94.7
477.28134	2.1
511.63855	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	114.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10618	0.6
55.01858	1.5
55.05499	1.3
55.93518	1.2
57.03420	2.5
58.99860	2.4
59.05000	1.3
66.02229	0.6
68.05022	2.5
68.98297	0.6
69.03413	3.0
69.07060	1.1
69.59077	4.7
70.06583	2.4
70.99854	0.8
72.04517	0.7
72.08152	1.9
72.93779	100.0
73.02901	0.7
73.93820	2.0
77.00881	4.1
79.05470	1.0
80.52686	0.9
80.63821	0.6
81.03402	0.7
82.01435	4.7
82.02667	0.7
85.02926	1.0
86.06036	1.5
87.04463	1.2
87.24420	0.6
90.94817	24.3
91.02473	0.8
91.53708	0.9
92.03471	0.9
94.02652	0.9
95.01940	1.6
96.04480	2.3
96.08108	1.7
97.02880	1.7
98.02422	1.2
98.20840	1.0
100.02468	36.4
100.52425	3.2
101.00871	1.7
101.01617	0.9
101.02591	2.4
102.02339	1.5
108.05264	0.6
108.95855	5.5
109.03500	0.6
110.07140	0.9
111.02930	2.6
111.53027	1.1
112.03165	1.2
113.96385	8.1
114.04045	0.7
114.05513	4.7
114.06672	0.7
114.09149	10.4
114.10316	0.9
115.03947	1.8
118.02662	1.4
118.03504	29.2
119.01904	9.5
119.03648	2.0
119.17711	0.7
120.02047	0.8
120.03318	0.8
121.01660	0.7
123.04044	0.9
131.01917	2.1
131.97424	7.8
132.05034	1.3
133.03502	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	114.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
55.05503	6.8
55.93534	1.2
56.05023	1.4
57.03419	2.4
58.99861	1.1
60.05627	2.5
63.32770	0.8
68.05011	2.5
68.20248	0.9
69.03421	2.0
70.06574	5.2
70.07008	2.6
71.04987	0.8
72.04504	0.9
72.05625	5.9
72.08139	6.1
72.10077	0.7
72.93779	100.0
73.02898	0.9
73.93816	2.1
77.00885	2.6
77.02034	0.8
80.52689	2.6
81.03385	0.8
82.01427	4.5
82.60612	0.8
86.06082	1.1
89.00874	1.1
89.01849	0.9
90.94814	25.9
92.03492	1.7
93.53450	2.2
94.54279	0.9
96.04461	2.4
97.02842	0.9
97.07636	3.7
98.02383	0.8
100.02470	29.4
100.52431	2.5
101.00902	1.5
101.01575	1.4
101.02550	2.6
102.02242	1.3
108.95873	4.6
109.03484	1.0
110.07165	0.9
111.02859	1.0
112.03234	2.2
113.96381	11.3
114.05499	3.2
114.09153	6.2
114.10278	17.4
118.03500	21.9
119.01915	5.8
119.03670	1.0
120.02015	1.5
120.03262	0.9
121.01677	2.3
123.04057	1.0
127.14252	0.9
127.83297	0.8
131.01862	3.2
131.97420	9.1
133.01665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.6665
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03871	0.6
79.05479	30.2
81.03418	3.3
81.07042	46.3
82.38979	0.5
83.04956	1.6
83.08606	5.8
83.28401	0.5
85.02888	54.3
85.06522	1.2
87.04449	0.6
91.03938	40.2
91.05460	22.3
93.07026	39.2
95.04945	6.0
95.08588	42.3
97.02873	31.4
97.06496	1.8
97.10162	2.9
99.04431	2.9
99.08037	1.0
101.02353	1.1
101.97836	0.5
103.03909	0.9
103.05434	1.1
105.04491	1.0
105.07010	16.9
107.08578	21.3
109.02856	1.6
109.06480	1.4
109.10133	20.1
111.08075	1.5
115.03915	3.3
115.05406	0.7
117.06990	6.9
119.08559	16.1
121.10123	18.5
121.11002	1.0
123.08041	0.9
123.11685	8.2
125.09578	1.0
127.03896	20.4
129.06970	2.3
130.07790	0.6
131.08546	11.6
133.10107	14.4
135.11661	13.7
137.09573	0.8
137.13200	2.5
143.08525	2.7
145.04932	32.0
145.10097	11.5
147.11656	11.9
149.09595	1.4
149.13231	11.0
151.03908	0.5
151.14790	1.3
153.12717	0.8
155.08624	0.5
157.10092	2.8
159.11674	10.0
161.13223	9.3
163.05988	65.9
163.14760	5.0
164.06369	0.6
165.16289	0.6
169.10068	0.8
171.11629	2.8
173.13234	8.7
175.14795	3.7
175.79977	0.5
177.12675	0.5
177.16374	1.3
181.07074	1.0
183.11661	1.2
185.13248	2.7
187.14778	4.3
189.12743	0.7
189.16403	1.2
191.14182	0.8
199.14828	1.8
201.16327	2.3
204.08638	2.0
213.14587	0.5
213.16396	1.1
215.17876	1.0
217.19449	0.6
219.17490	0.7
231.20940	1.2
233.22787	0.6
241.19592	5.0
243.21017	5.8
245.22470	0.5
257.18896	1.0
259.20581	11.1
261.22092	20.7
263.23672	2.6
273.22046	0.9
279.23169	0.8
285.22089	0.5
287.23636	0.9
289.09103	0.8
299.23660	1.1
309.23935	0.5
315.23145	1.2
317.24652	3.1
321.24408	0.6
325.11194	3.7
325.25082	0.7
327.26941	0.8
331.22787	0.6
333.24188	13.6
334.24316	0.6
335.25745	100.0
336.26050	3.5
337.27313	17.9
338.27658	0.8
355.30167	1.0
358.29266	0.5
427.67383	0.6
451.35614	0.8
451.74933	0.5
473.35617	0.6
485.36096	0.8
489.35562	0.8
497.30460	1.1
503.36761	1.0
503.43073	0.8
505.38644	0.6
517.38727	1.2
521.43433	3.5
529.38293	1.1
531.40369	1.0
539.44214	1.8
543.40204	1.3
595.47150	23.8
596.47418	1.4
613.48157	49.8
614.48932	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	1125.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20763	0.3
99.55002	0.2
219.69482	0.2
311.25735	0.2
396.12042	0.3
397.12860	0.8
398.13394	0.3
399.14633	0.2
409.13232	0.3
410.13586	1.2
411.14532	2.5
412.15210	1.8
413.16046	1.3
423.14603	0.7
424.10733	0.5
424.16049	1.4
425.16257	5.6
426.16837	4.1
427.17529	1.2
428.18460	1.1
437.12039	0.5
437.16595	0.5
438.12097	1.6
438.17633	0.5
439.13474	8.5
440.13690	0.8
440.19147	3.1
441.19241	22.2
442.19614	2.0
444.17584	0.2
451.13400	0.4
451.18262	0.3
452.14105	2.2
453.15216	9.8
454.15750	2.8
455.16425	0.5
456.14536	0.2
457.15100	0.5
463.13763	0.6
465.15591	0.4
466.16528	0.7
467.17120	15.7
468.17776	9.4
469.18738	8.5
470.19623	1.0
471.16644	0.5
472.17889	0.4
477.15479	0.4
478.16141	0.5
479.16989	0.3
480.14862	0.7
481.14703	10.0
482.15042	2.5
483.15906	0.3
484.16589	0.3
485.18076	0.7
486.18765	0.6
487.19498	0.4
494.17422	0.5
495.16385	9.8
496.16953	16.2
497.17642	3.3
498.19269	0.4
499.14932	0.2
499.19589	0.6
500.15680	0.2
508.18744	0.5
509.18335	1.8
510.19025	0.7
511.19226	0.2
512.21069	0.9
513.16992	0.3
513.21918	0.2
514.23169	1.4
522.17664	0.7
523.19720	1.2
524.20618	0.3
525.16931	0.4
526.18378	0.2
527.23560	1.9
528.19751	0.6
536.19080	0.5
537.19513	1.4
538.19336	0.3
539.19287	0.3
540.20026	0.4
542.21564	0.7
545.23682	0.5
555.22357	20.5
556.22577	1.7
557.22119	0.2
568.19910	0.5
573.23358	0.3
582.21027	0.3
583.21820	60.8
584.22119	6.7
585.21509	0.4
586.21021	0.8
587.24902	1.3
599.20862	0.2
600.21906	0.3
601.22113	0.2
611.21069	2.1
614.23236	0.6
615.24341	4.3
616.24487	0.3
628.21289	0.4
642.23108	12.7
643.23785	100.0
644.24017	6.8
781.27661	0.2
837.23242	0.2
894.73535	0.2
1070.81458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.9
53.03939	1.8
53.99826	1.1
54.03458	1.6
55.01855	1.6
55.05500	26.0
56.05031	4.0
56.05826	1.0
56.30226	0.6
57.07076	0.8
58.06590	13.0
59.72935	0.6
67.05500	3.7
68.05018	18.7
69.03414	1.6
69.04529	4.2
69.05347	1.4
69.07055	81.4
70.02939	2.1
70.06580	65.6
70.07387	2.5
71.02462	1.0
71.06101	5.0
71.06918	1.0
71.07347	1.4
71.59824	1.2
82.05297	1.8
82.06564	1.3
83.04973	2.5
83.06087	7.8
83.08584	0.9
84.04491	1.3
84.05627	1.0
84.08125	4.6
85.07652	3.1
88.00470	0.8
93.04507	1.2
93.07024	0.8
94.02901	2.0
94.06561	3.4
95.04964	0.9
95.06081	3.7
96.05605	2.0
96.06854	1.9
97.00982	1.8
97.06358	0.8
99.51255	1.0
101.31847	0.6
101.42120	0.7
110.07159	5.0
111.04438	4.4
111.05542	16.8
111.06357	4.1
111.07368	5.9
111.09181	100.0
112.03963	4.0
112.05100	5.1
112.05796	1.0
112.06292	1.3
112.07581	15.2
112.08704	39.8
112.09513	3.1
112.11195	4.1
115.96408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.6663
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03889	0.9
79.05483	35.5
81.03405	3.5
81.07044	53.9
82.07371	1.0
82.76949	0.8
83.04970	1.2
83.08607	6.2
85.02892	44.0
85.06526	1.4
85.69473	0.9
91.03946	34.9
91.04890	1.3
91.05464	26.0
93.07031	43.4
94.70183	0.9
95.04954	6.6
95.08594	42.2
96.08884	1.0
97.02881	23.2
97.06513	2.6
97.10145	3.2
99.04435	2.4
99.08045	1.3
103.03896	0.7
103.05433	1.3
105.04520	1.0
105.07018	22.3
105.45020	0.8
107.07874	1.5
107.08574	27.1
108.03070	0.7
109.02835	2.0
109.06490	2.0
109.10143	21.4
111.08067	1.5
111.11707	1.3
115.03910	2.3
115.05424	0.8
117.05485	1.1
117.06987	8.4
119.08562	16.8
121.10126	21.5
123.08088	1.1
123.11700	7.5
125.09588	1.7
127.03905	16.8
129.06981	1.5
131.08546	14.4
133.10114	15.3
135.11671	17.0
137.09541	1.1
137.13200	2.4
139.11145	0.8
143.08571	2.6
145.04935	24.3
145.10100	12.4
147.11674	12.3
149.13248	9.3
151.11136	0.8
151.14851	1.2
157.10091	1.6
159.11662	9.0
161.13226	8.9
163.05995	54.5
163.14761	5.3
167.21989	0.7
171.11623	3.5
173.13237	10.5
175.14790	4.5
177.16383	1.5
179.14220	0.8
185.13232	3.9
187.14792	4.3
189.16335	1.7
197.13052	0.9
199.14828	2.8
201.16394	2.6
203.17836	1.1
204.08577	2.1
213.16389	1.0
217.19489	1.5
219.35124	0.7
231.21030	1.1
233.22719	1.1
241.19623	3.9
243.21045	5.7
259.20532	10.9
261.22095	22.6
263.23709	2.7
277.21674	1.0
279.23190	1.2
287.23465	1.0
301.25085	0.8
307.10095	0.8
315.23248	0.9
317.24701	3.0
325.11243	4.2
333.24155	12.3
333.27798	1.3
335.25757	100.0
336.26144	3.3
337.27313	17.1
351.25455	0.9
353.27011	1.0
489.35638	1.8
503.36719	1.2
503.43283	1.0
505.38965	1.1
517.38940	1.7
521.43494	4.4
539.44354	2.0
543.40356	1.2
595.47186	21.4
596.47784	1.1
613.48163	54.7
614.48553	3.6
1070.90491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05474	3.0
80.04995	1.1
81.03404	7.5
82.06565	1.8
84.90301	0.5
85.02891	18.0
86.09691	0.7
87.00804	4.7
87.04391	0.6
91.05457	3.4
93.05773	1.5
93.07040	3.4
94.06548	9.4
95.04948	1.6
95.07350	5.8
95.08582	0.9
96.04495	0.7
96.08118	12.4
97.02877	7.1
97.06532	0.7
99.04430	3.6
103.05415	1.0
104.33024	0.5
105.01842	3.3
106.06541	6.3
107.07329	2.4
108.04484	0.8
108.08102	16.8
109.02866	8.6
109.08865	0.9
110.06039	1.4
110.09663	20.3
116.04935	1.3
117.01844	0.8
117.65401	0.5
118.06546	0.9
120.04412	2.6
120.08089	16.4
121.06484	0.5
122.06001	3.5
122.09637	3.5
124.07568	6.3
126.67090	0.5
127.03894	10.8
129.01784	1.3
130.06506	0.7
132.08061	1.6
134.05975	3.0
136.07558	19.3
138.05576	3.2
138.09114	100.0
139.09473	1.6
140.07036	1.3
144.04413	1.9
144.08028	0.6
145.04930	2.1
146.05975	9.5
146.08643	0.5
146.09587	2.9
147.02847	1.2
148.07550	11.1
150.05508	1.5
150.09146	2.5
151.06213	0.5
152.07039	20.9
154.04953	0.7
158.05989	1.9
159.02867	2.8
160.03951	1.0
160.07553	0.7
162.05519	1.9
162.09132	2.4
164.07040	39.4
165.07559	0.5
166.08611	34.7
167.07385	0.5
167.08920	0.6
172.03906	14.0
172.07498	0.9
174.05508	2.1
174.09125	1.2
176.07095	4.6
178.08603	1.1
180.06537	1.8
180.07956	0.7
180.10155	1.8
182.08098	22.4
182.09726	1.1
184.09879	0.6
188.06975	0.7
190.04964	10.0
192.06560	1.2
192.10168	1.0
194.08217	0.6
197.10674	2.7
198.11472	1.5
199.12332	1.1
200.07045	0.5
201.10260	0.7
204.06526	19.7
206.08069	1.6
208.09662	1.0
208.77034	0.5
209.10701	2.7
210.11472	9.9
211.08571	0.7
211.12253	5.2
212.13087	0.7
213.03992	0.7
213.10341	1.0
213.13890	0.5
215.11740	0.8
216.06544	0.7
218.08049	3.6
220.09778	1.8
221.10733	1.7
222.07655	0.8
222.11470	1.8
223.08734	0.9
223.12267	4.9
224.11032	0.8
224.13089	1.9
225.10175	5.1
225.13837	2.1
226.10901	2.2
227.11765	3.4
231.04933	1.6
234.11545	0.9
235.08609	2.0
235.12265	3.0
236.09239	2.8
236.12985	1.4
237.10173	11.4
237.13675	3.7
238.10953	9.3
239.08101	0.8
239.11740	14.1
240.12422	2.1
240.19542	1.2
241.09697	1.3
241.13272	1.6
243.11281	1.2
245.12859	2.4
246.07411	0.7
247.12106	0.8
248.09386	4.5
249.10194	10.1
250.10931	8.4
251.08015	1.0
251.11768	19.5
252.09006	1.4
252.12451	5.8
253.09731	2.4
253.13303	8.7
254.10541	0.7
254.13907	0.6
255.11311	2.2
256.12036	1.0
257.12747	3.5
258.13553	0.8
259.14291	1.2
261.10358	1.0
262.10995	2.2
263.11758	37.3
264.09268	3.7
264.12424	7.0
265.09766	6.0
265.13324	13.6
266.10474	4.9
266.14001	1.5
267.11261	9.1
267.14502	0.9
268.11835	1.0
269.12790	11.4
270.13544	1.7
271.10764	2.8
271.14377	5.0
275.11798	1.9
276.08829	1.0
277.09705	5.4
277.13290	1.6
278.10425	6.4
279.11240	57.9
280.11957	5.0
281.09668	0.8
281.12808	20.5
282.09955	4.0
282.13464	3.1
283.10742	4.7
283.14365	2.8
284.11450	4.5
285.12308	10.8
287.13812	3.1
289.12003	0.7
291.11221	19.0
292.11929	4.8
293.09619	0.9
293.12787	18.8
293.16071	0.9
294.10049	1.2
294.13348	1.5
295.10733	6.6
295.14352	2.3
296.11502	12.4
297.12289	81.0
298.12869	7.4
299.13843	34.3
300.14496	2.0
301.15555	0.6
305.15201	0.6
307.10797	4.0
307.13959	0.8
308.11438	0.8
309.12283	83.6
310.12836	5.9
311.10306	3.5
311.13812	37.0
312.14398	1.9
313.11816	2.9
313.15448	4.3
314.12906	1.1
315.13388	4.4
316.14423	1.7
319.10684	15.0
321.12241	10.2
323.10406	8.9
323.13635	2.0
323.16727	3.3
324.10602	1.2
325.11792	25.2
326.12366	3.6
327.13318	5.9
328.14270	2.6
329.14920	4.5
330.15833	1.2
332.17444	0.9
337.11765	85.7
338.12210	5.5
339.09976	1.1
339.13342	27.2
340.14053	3.5
341.11285	7.2
341.15051	2.5
342.12085	1.1
342.15829	2.2
343.13077	4.0
343.16663	0.9
344.13754	0.8
344.17514	0.8
346.15466	1.1
349.11920	0.8
351.13300	1.7
354.15927	1.1
355.12830	7.6
355.16644	1.2
356.13739	2.2
357.14435	16.3
358.15311	1.5
359.12210	1.1
359.16156	1.5
360.16977	2.1
368.13626	0.9
369.14398	85.8
370.15027	8.0
370.19412	0.7
371.15982	54.9
372.16632	3.5
373.13910	3.3
373.17944	0.6
374.14679	2.0
376.16333	0.6
383.16586	0.7
384.17026	1.4
386.14432	2.8
386.18832	1.2
387.15350	3.0
388.16263	3.3
389.17032	0.9
390.17972	1.3
398.14410	2.4
398.19302	0.7
399.15860	2.2
400.16275	1.2
401.13400	1.9
401.17844	0.9
402.17981	3.2
406.17566	0.8
408.19321	1.0
414.18094	2.3
415.14911	1.5
416.15665	2.1
416.20651	2.8
418.16751	0.6
418.21469	1.4
420.19055	1.7
421.19821	2.1
422.20758	2.8
426.18115	1.2
428.15649	2.7
430.17514	2.6
432.19119	2.4
434.21426	4.3
436.22351	9.4
437.22629	0.7
438.20325	1.5
440.15964	1.9
442.17755	2.4
444.19083	8.4
446.16867	2.5
446.21591	1.2
447.17572	1.4
448.18704	4.7
449.18683	0.7
450.20325	4.5
458.16901	4.6
460.18567	10.5
461.19064	0.9
462.20251	18.0
463.20837	1.9
464.17703	3.6
465.18536	1.1
466.19531	2.1
470.17130	5.1
472.18436	2.7
474.16547	2.0
476.17963	7.1
477.18817	0.6
478.19595	8.2
479.38641	1.1
480.21271	16.9
481.21332	0.9
482.19070	12.5
483.19287	0.7
488.18137	8.0
490.19699	3.6
494.19012	17.1
494.22656	9.6
495.23410	1.6
499.16635	0.7
504.21146	0.7
506.19147	27.6
507.19244	2.3
508.20621	2.8
514.21777	38.2
515.21747	1.3
520.20642	2.2
524.20154	6.4
525.20380	0.7
526.21765	58.6
527.22198	3.6
538.21771	36.7
538.30157	1.0
539.22131	2.1
548.19690	1.6
575.28699	1.5
583.25525	3.3
601.26611	8.7
609.22198	0.8
617.18805	0.7
619.27557	28.2
620.27551	1.9
624.25171	1.1
627.24463	4.9
633.28827	1.8
644.24011	0.7
645.25464	52.3
646.25684	3.9
650.23132	1.9
651.30194	31.3
652.30298	2.7
663.26514	24.0
664.26575	1.6
677.28088	40.7
678.28613	2.5
692.24200	0.7
695.29120	13.2
710.25275	1.6
728.26111	1.3
736.23230	0.9
742.25372	3.5
747.21906	0.9
754.24451	3.7
762.26385	1.9
774.27240	6.2
786.27515	2.6
807.31744	1.2
823.34674	0.6
836.29041	0.7
839.32318	0.7
849.31195	0.7
854.27765	0.6
867.33191	3.0
868.30646	0.7
872.30682	3.9
881.34821	0.7
890.31036	2.3
893.30267	1.8
898.28632	3.5
899.35651	3.3
904.30164	1.0
911.31036	2.1
916.29407	6.2
930.30225	1.8
936.32617	0.8
943.34180	1.0
948.32196	5.4
949.31934	0.8
1011.36639	0.8
1029.37231	1.3
1055.35669	2.6
1061.40186	2.0
1073.36511	2.0
1105.38379	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	1105.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05475	2.7
80.05005	1.7
81.03404	3.7
81.07016	0.8
82.06555	1.0
84.04488	0.7
84.08145	1.3
85.02895	10.1
87.00819	2.9
89.23435	0.5
91.05482	3.1
91.06002	0.6
93.05782	1.2
93.07030	2.8
94.06560	4.5
95.04970	1.6
95.07316	2.8
96.08102	6.7
97.02875	3.9
99.04432	1.5
103.05450	1.6
105.01875	3.0
105.07025	1.7
106.06534	5.6
107.07327	5.3
108.08104	16.4
109.02884	4.5
110.06016	0.6
110.09657	7.8
110.90727	0.6
117.01941	0.6
117.05778	0.8
117.23080	0.7
118.06516	1.4
119.07298	0.6
119.08584	0.7
120.08086	14.6
121.08878	1.4
122.02377	1.2
122.06008	1.2
122.09649	30.2
123.06783	0.8
124.07607	0.7
127.03909	5.4
130.06516	1.5
131.07275	3.1
132.08044	2.7
133.08830	0.6
134.06023	1.5
134.09659	1.8
136.07555	22.7
136.11163	0.8
137.06006	1.4
137.08029	0.5
138.09117	40.0
140.10684	13.0
144.08089	1.9
145.04970	1.1
145.06459	0.7
146.05972	1.4
146.09619	4.6
147.06786	1.3
148.07542	13.2
148.11194	1.1
150.05524	0.7
150.09119	4.7
152.07048	4.8
152.10713	0.7
156.08043	0.8
158.06009	1.1
158.09633	0.9
159.02893	0.9
159.06749	1.2
159.09201	0.7
160.07533	5.1
161.08409	2.5
162.05507	1.3
162.09123	4.4
164.07047	14.8
164.10698	2.0
166.08614	33.3
167.09117	0.7
170.08417	0.6
171.09160	1.2
172.07570	1.7
173.08391	0.7
173.10745	1.7
174.09117	30.5
175.09552	1.1
176.07118	0.7
176.10593	1.4
178.08664	2.1
180.06557	1.2
180.10202	2.1
182.08141	2.6
182.09569	0.8
183.09192	1.0
184.07614	0.9
185.10686	0.6
186.09090	1.1
189.10278	0.6
190.08644	2.4
192.10158	56.2
193.10826	2.4
195.09209	0.9
197.10771	1.5
198.09172	1.8
199.08572	3.8
200.07033	1.1
201.10236	1.5
202.08640	4.4
204.06548	1.5
204.10176	0.9
206.04440	1.2
206.08171	0.7
208.09688	0.7
209.10751	1.7
210.04024	0.7
210.09290	0.8
210.11336	1.6
211.08508	3.6
211.12291	0.8
212.09216	1.0
213.10187	6.5
214.08754	1.3
214.10744	0.6
215.08220	2.0
215.11765	1.5
216.10324	1.3
217.09755	1.3
218.08101	12.5
218.10197	1.1
219.08861	2.3
220.09688	5.4
221.10594	1.0
222.09386	0.6
223.08670	2.5
223.12256	0.8
224.07425	0.8
224.09328	0.7
225.10252	2.6
226.08612	2.4
226.10649	0.9
227.08110	10.4
227.11763	2.3
228.06693	0.8
229.09709	1.9
229.13391	2.0
231.11220	0.7
233.12778	0.9
236.09114	3.9
237.10175	4.7
238.08739	0.6
238.10921	1.0
238.17963	1.4
239.08107	2.0
239.11783	3.2
240.19539	0.8
241.09665	15.7
241.12267	0.8
241.13345	1.1
242.10371	0.7
243.07587	0.6
243.11267	7.4
245.09235	2.1
246.07573	8.3
249.10234	1.9
250.10892	1.7
251.08127	3.4
251.11815	1.7
252.09132	1.6
252.12341	0.7
253.09698	5.5
253.13445	0.9
254.10368	1.1
255.07841	0.8
255.11288	3.7
257.09222	1.2
257.12558	0.8
259.10776	14.1
262.82556	0.6
263.08282	1.3
263.11691	1.1
264.08621	5.4
265.09695	10.1
266.10419	2.7
267.07715	1.6
267.11282	6.4
268.12225	0.7
269.09265	13.3
269.12799	2.5
271.07742	0.7
271.10843	2.9
271.14420	7.3
273.08929	1.0
273.12192	1.2
277.09680	2.3
278.10303	0.8
279.07654	1.7
279.11292	4.4
280.08450	0.8
281.09241	3.6
281.12534	1.1
283.10745	6.3
285.08795	3.5
285.12421	4.0
286.09460	1.1
287.10233	36.6
287.13391	1.8
288.10779	1.1
289.12830	0.8
289.15536	5.1
291.11438	1.4
293.09180	9.4
294.09982	1.6
295.10721	8.8
296.11569	1.8
297.08731	7.2
297.12384	4.6
298.09708	1.2
299.10260	3.6
299.13562	0.9
300.14694	0.9
301.11874	2.2
303.13388	0.6
305.11490	1.1
307.10703	6.2
309.09000	1.0
309.12234	4.5
311.10214	14.0
311.13586	1.2
312.11078	0.7
313.11752	22.2
314.12381	0.7
314.16348	0.9
315.09760	0.8
315.13409	0.9
319.13028	5.8
321.08804	2.7
323.10205	2.2
325.11761	10.1
326.12485	1.0
327.09952	0.7
327.13492	2.3
328.14435	2.5
329.11377	4.5
329.15298	1.5
330.16025	1.0
331.12912	1.2
335.10144	4.5
337.11758	0.9
339.09723	21.9
340.10129	1.4
340.14325	1.1
341.11295	9.9
341.15399	1.8
342.16010	2.0
343.12924	2.7
344.13965	0.8
344.17627	1.3
345.14636	2.3
352.14410	0.8
353.11282	24.4
354.11819	1.4
354.15921	1.2
355.13153	1.9
356.13968	1.1
356.17767	1.2
357.10742	32.2
358.11267	1.9
358.15405	1.3
359.12332	0.9
360.17032	1.3
363.12158	1.0
367.13098	0.7
368.13675	1.0
368.17706	0.7
369.14731	1.8
370.15277	2.5
371.12305	4.0
372.17255	1.8
373.13788	4.5
374.18817	1.5
375.15747	1.4
381.15002	0.7
382.15387	1.0
383.12357	1.1
384.13391	0.8
385.13882	8.0
386.14618	2.1
386.18964	1.4
387.15881	2.0
388.16098	3.9
388.20529	0.7
389.13165	4.0
389.17767	0.6
390.18317	1.2
398.14746	0.9
399.16360	1.1
400.16940	4.4
401.16068	0.8
402.18393	1.5
410.17065	8.5
412.16611	1.5
413.14783	1.0
414.18234	3.8
415.16168	2.5
416.20477	3.0
417.17230	0.8
418.17599	4.6
424.16678	1.6
426.14188	1.0
427.15417	0.8
428.16132	0.8
428.73096	0.8
430.17822	4.9
432.19165	5.6
433.19565	0.7
436.18631	2.5
440.15991	1.7
442.19501	10.0
443.16190	2.0
444.15610	1.3
445.16599	0.8
448.18710	1.0
450.20349	1.3
451.52209	0.7
452.18289	1.6
458.17084	2.6
459.15668	0.9
460.18646	20.1
461.19290	3.1
462.16180	2.9
464.18112	3.3
468.15448	1.1
474.20007	1.6
476.18161	3.9
477.18887	0.8
477.36993	1.0
478.19708	8.5
480.17578	39.7
481.18091	1.3
482.19049	0.8
486.16501	4.8
492.21313	9.4
493.21255	1.2
496.20819	5.7
498.22430	2.8
504.17511	8.7
506.18942	0.8
508.20789	3.3
510.22339	28.2
510.29999	1.3
511.22589	1.4
512.20282	23.6
513.20538	1.2
514.21814	1.0
518.19379	1.7
522.18994	1.2
536.20166	8.0
550.21179	2.9
553.24164	1.3
554.21289	6.4
565.24127	2.2
567.22406	1.1
583.25415	17.4
584.25067	2.3
585.26477	1.1
591.28772	1.0
597.27063	2.1
599.25092	1.2
600.24591	0.7
601.26453	25.9
602.27087	2.0
609.23108	2.6
615.28052	57.0
616.27869	3.2
627.24451	11.7
631.27625	2.0
633.29095	100.0
634.29395	6.1
641.25873	8.9
645.24829	4.1
651.30017	2.5
657.29327	1.5
659.27020	48.3
660.27185	2.2
666.22406	1.4
677.28113	19.5
678.28296	1.6
680.24976	0.9
698.25372	1.0
723.30066	1.2
726.24817	0.8
758.27399	2.3
784.25464	0.9
785.30774	1.0
802.26355	1.6
803.30933	2.0
813.30066	1.1
821.32098	1.2
831.31262	0.7
845.32446	0.8
849.31866	1.7
863.32959	3.0
881.34485	3.9
907.31995	1.3
914.28259	2.7
946.30011	3.0
1051.35840	1.7
1069.37671	1.3
1105.48083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05449	0.7
80.04952	0.7
81.03414	2.8
81.05735	0.3
81.10217	0.3
82.06490	0.3
83.04924	0.3
84.04449	0.3
84.08067	0.4
85.02888	6.2
86.09655	0.7
87.00812	2.2
89.03867	0.7
91.05454	1.4
93.05701	0.9
93.06946	1.0
94.06552	3.9
95.04922	0.6
95.07268	1.3
96.08115	4.1
97.02878	3.3
97.06457	0.4
98.20715	0.4
99.04375	0.9
103.03900	0.3
103.05370	0.3
105.01855	2.0
105.06991	0.3
106.06535	1.4
107.07253	0.9
108.04388	1.0
108.08099	7.3
109.02861	2.9
110.07074	0.3
110.09669	4.4
116.04883	1.2
117.05669	0.3
118.06447	0.9
120.04364	1.2
120.05088	0.3
120.08081	5.4
122.06014	3.9
122.09564	0.6
124.07578	4.5
127.03909	3.8
129.01787	0.5
129.10115	0.3
132.04385	0.4
132.08026	0.4
133.04993	0.3
134.06020	1.9
136.07578	2.2
138.09119	31.8
144.04442	2.1
145.04837	0.8
146.05988	3.9
148.07574	2.2
150.05397	0.5
152.06058	0.3
152.07045	3.1
158.09616	0.4
159.02815	1.1
160.03946	1.6
160.07498	0.7
162.05495	2.2
164.07031	3.0
166.04898	0.4
166.08517	1.0
172.03911	12.3
172.07632	0.4
174.05467	2.7
176.07039	5.6
178.04854	0.4
180.06477	0.7
182.08058	1.7
183.09103	0.4
185.10657	0.5
187.12305	0.7
188.06981	0.6
190.04965	7.2
192.06485	0.8
197.06972	0.3
197.10677	0.8
198.07657	0.5
198.09273	0.4
199.08577	1.0
199.12238	0.4
200.09346	0.5
201.10132	0.9
204.06526	24.2
205.06789	0.5
208.09618	0.3
209.10664	0.6
210.11394	0.6
211.08627	1.3
211.12257	0.6
212.09290	0.9
213.03938	0.4
213.10175	1.9
214.10909	0.3
215.11787	1.5
219.09061	0.4
220.16963	0.3
221.10596	0.6
222.07538	0.4
222.18434	0.6
223.08595	0.7
223.12196	0.5
224.09247	0.6
225.10161	2.3
226.08589	0.6
226.10760	0.6
227.08003	0.6
227.11752	2.1
228.12375	0.4
229.09608	0.6
229.13377	0.4
231.05014	0.6
231.10974	0.3
234.11420	0.3
235.08644	0.7
236.09451	0.8
237.10139	2.1
238.10889	1.7
238.18051	0.5
239.08214	0.4
239.11681	1.6
240.08705	0.3
240.12308	0.3
240.19547	0.9
241.09656	1.5
241.13380	0.5
243.11275	6.2
245.12791	0.6
248.09407	0.4
249.10187	1.9
250.10997	0.6
251.08040	0.8
251.11832	2.1
252.08858	0.9
252.12474	0.4
253.09718	2.1
253.13307	0.5
254.10420	0.9
255.11250	1.4
256.12085	0.7
257.09140	0.8
257.12796	0.6
259.10672	0.6
260.11154	0.3
261.10114	0.4
263.08148	0.8
263.11646	1.0
264.08875	1.9
264.12012	0.4
265.09625	3.1
265.12872	0.6
266.10400	1.2
267.11246	2.5
269.09186	1.5
269.12643	1.4
270.09955	0.7
271.10699	2.8
271.14059	0.4
273.12332	1.6
274.13068	1.2
277.09653	2.1
278.10410	1.0
279.08325	0.5
279.11246	6.4
280.12109	0.7
281.09070	1.3
281.12698	1.0
283.10742	4.1
284.11508	0.7
285.09058	0.5
285.12241	8.6
286.09219	0.4
287.10141	1.7
287.14114	0.3
288.11295	0.4
288.14801	0.3
291.11191	0.5
293.09070	0.8
293.12653	0.6
295.10703	1.6
296.11517	0.7
297.12274	18.2
298.13013	0.6
299.10416	1.6
299.13812	1.4
300.11655	0.4
300.14780	0.8
301.11975	2.0
301.15244	0.4
302.12589	1.7
303.10040	0.5
303.13361	10.1
304.14178	0.6
305.08963	1.4
309.08640	0.7
309.12250	1.6
311.10217	1.6
311.13846	1.1
312.14911	0.6
313.12006	0.9
313.15503	0.6
314.13290	0.5
314.16449	2.3
315.10297	0.7
315.13477	1.9
315.17209	0.7
316.10803	1.2
316.14322	1.6
317.15314	0.8
318.15906	0.8
321.11972	0.4
323.10254	6.5
323.13965	0.6
324.10629	0.5
325.11707	1.2
325.15448	0.6
326.12741	0.5
327.09802	0.4
327.13477	1.0
328.11023	0.7
328.14410	1.2
329.11502	1.1
329.14981	6.2
330.12253	2.6
330.15912	1.6
331.13287	0.9
331.16684	0.5
332.13715	0.7
332.17432	0.6
335.10120	1.0
337.08035	1.6
337.11774	1.3
338.12256	0.4
339.09833	0.4
339.13461	2.6
340.14435	0.7
341.11325	4.3
341.15115	0.6
342.12320	1.9
342.16296	0.4
343.13071	1.5
343.16998	0.6
344.13882	4.8
345.14740	2.3
346.11801	0.5
346.15533	3.7
347.16238	0.7
353.11118	0.6
354.12256	0.8
354.15906	1.0
355.13095	1.5
356.10107	0.6
356.13855	2.0
356.17639	0.5
357.15106	1.7
358.11768	1.2
358.15439	5.0
359.12106	1.5
359.16577	1.4
360.13196	0.7
360.16989	1.8
362.14764	0.4
367.13190	0.5
368.14151	1.6
369.14642	1.0
370.11618	2.9
370.15576	0.8
371.12079	4.1
371.16193	1.8
372.13156	6.5
372.17145	1.8
373.13947	9.5
373.18420	0.6
374.14832	5.6
374.18744	1.0
375.15735	0.5
376.16568	0.7
378.18219	0.6
382.15344	1.3
383.12668	0.5
384.13000	1.4
384.17499	0.6
385.14157	4.1
386.14951	16.0
387.11703	0.5
387.15833	7.2
388.12088	0.5
388.17004	2.2
389.13089	0.4
389.17447	0.6
390.18298	1.6
392.15836	0.9
396.13312	0.7
398.14941	0.8
399.15561	1.0
400.12573	1.3
400.17139	2.4
401.12991	1.6
401.18051	0.5
402.13385	2.5
402.19006	3.1
403.15326	1.3
404.15994	2.4
405.16830	0.8
406.17651	1.2
410.14880	1.3
412.16812	1.7
413.14587	1.1
414.08795	0.4
414.14432	15.8
415.15207	43.0
416.15851	3.3
417.16855	0.5
418.17697	3.1
420.15356	3.1
426.14566	0.4
427.15366	0.6
428.15952	4.4
429.16272	0.4
430.17798	5.7
431.15305	1.6
432.15421	6.5
433.16241	3.5
434.16998	0.4
438.14368	1.6
444.15201	1.8
445.16336	1.0
446.17075	10.5
447.17599	1.1
456.15546	9.7
457.15897	0.5
458.17191	0.5
460.18756	0.4
461.15338	0.4
462.16360	5.6
464.18240	0.5
474.16547	63.7
475.16739	2.6
475.35876	0.4
476.18268	0.7
477.36844	0.4
478.19611	0.9
480.17719	0.5
488.18185	4.3
492.17487	5.3
493.17905	0.4
494.19171	12.5
506.19168	100.0
507.19412	4.2
512.20056	1.2
524.20264	5.2
539.22339	0.5
557.24243	0.4
563.22760	0.4
578.21240	0.7
581.23932	4.9
583.21655	0.5
589.15961	0.3
599.24927	47.5
600.25720	2.0
607.21539	0.5
610.23810	1.2
613.26508	3.0
617.25897	3.4
625.22852	6.4
626.23376	0.4
631.27539	31.5
632.27649	1.9
639.24432	0.4
643.23895	2.1
647.24756	0.6
649.28735	1.8
657.25403	6.6
661.24750	0.6
675.26428	1.5
693.27618	1.0
703.29889	1.5
710.21912	0.4
722.21912	1.1
733.21161	0.4
735.31915	0.8
742.24603	0.6
747.28674	1.1
754.24078	2.1
760.25879	0.3
772.25421	0.8
793.25775	0.3
803.30493	0.5
811.28088	0.4
829.28564	0.5
843.30914	0.4
847.30310	2.2
865.30646	0.5
879.33173	0.7
884.27118	1.1
891.28955	0.4
916.28375	0.5
1009.34296	1.2
1035.33167	0.6
1061.89856	0.3
1103.52917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0714
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
54.52147	1.0
55.05495	2.0
56.05029	1.8
68.05020	11.7
69.04179	1.5
69.04541	28.0
70.06580	8.4
71.29118	1.4
82.06575	5.4
83.06101	6.2
87.00439	3.5
93.04503	4.4
94.02911	0.9
94.06516	1.5
110.06015	43.1
110.07140	100.0
110.09586	2.0
111.04458	2.2
111.05611	5.2
111.06768	1.2
111.07481	2.6
111.09180	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	1103.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05464	1.5
80.04981	0.6
81.03403	4.6
81.07073	0.5
83.06052	0.5
84.04461	0.5
84.08121	1.6
85.02432	0.5
85.02892	11.3
86.09690	2.2
87.00818	3.4
91.05465	1.8
93.05803	0.5
93.07016	1.7
94.06529	1.6
95.04954	0.9
95.07317	0.7
96.08121	1.7
97.02878	5.3
98.21451	0.5
99.04446	1.7
102.05543	0.6
103.05437	0.5
105.01850	3.1
106.06534	0.9
107.04924	0.6
108.04453	0.7
108.08102	7.4
109.02865	4.4
110.07162	0.6
110.09668	3.7
111.04440	0.6
118.06495	1.1
119.59418	0.5
120.08076	10.2
122.06018	1.5
122.09634	2.4
124.07560	1.3
127.03905	7.2
129.01787	0.7
129.10182	0.7
130.06534	0.9
132.07986	0.6
133.10110	0.6
134.05986	1.6
136.07567	6.6
138.05515	1.0
138.09119	9.2
144.08018	0.6
145.04955	1.5
146.05972	1.2
148.07564	0.9
150.09100	0.6
152.07054	5.8
159.02864	1.6
160.03862	0.9
160.07556	0.9
162.05441	1.1
162.09137	0.8
163.40294	0.5
164.07082	5.4
166.08569	4.5
172.03906	1.5
180.06512	3.6
181.08754	0.9
182.08147	2.7
183.09171	0.6
184.07541	0.6
188.47765	0.5
190.05011	0.7
196.07655	0.8
196.11218	1.1
197.07112	2.6
197.10675	1.1
198.09239	0.7
198.11536	0.6
199.08737	1.0
199.12329	0.5
201.10258	1.1
202.08511	1.1
204.06493	2.6
209.10609	0.7
211.08621	4.7
211.12172	0.9
212.09218	0.8
213.06642	0.9
213.10213	1.1
213.13687	0.5
215.11769	1.2
220.16982	0.8
221.10773	1.1
223.08630	1.5
223.12227	0.6
224.07301	0.6
224.09193	0.9
225.06567	4.0
225.10167	3.6
225.13892	0.7
226.11020	1.7
227.08080	0.7
227.11711	2.4
228.08780	0.5
229.09746	1.1
231.04976	1.1
235.08746	1.1
237.06642	0.8
237.10176	8.8
238.10884	1.5
238.17986	1.8
239.08124	6.9
239.11737	4.1
240.19510	1.1
241.09712	2.9
241.13303	1.1
242.11752	0.6
243.07571	1.2
243.11296	1.8
245.12952	0.7
247.08611	1.1
249.10150	3.3
250.10904	1.1
251.08051	3.0
251.11804	2.8
252.09010	1.4
253.05974	0.8
253.06824	0.8
253.09679	10.9
253.13394	2.4
255.07622	1.7
255.11238	3.0
256.11911	0.8
257.05560	0.7
257.09195	3.3
257.12848	1.9
259.10757	1.5
259.14404	5.9
260.15134	0.7
261.10172	0.6
261.15869	2.7
263.07941	0.6
263.11829	1.4
265.09714	22.2
265.12747	0.8
266.10370	1.7
267.07645	7.2
267.11249	14.9
267.14035	1.0
268.08337	0.7
269.09341	2.5
269.12790	1.9
271.07904	0.6
271.10760	2.3
271.14404	8.1
273.08496	0.5
273.12396	1.0
277.09753	1.0
278.06705	1.2
278.10156	0.7
279.07690	1.5
279.11282	4.1
280.08316	2.6
281.05893	0.9
281.09171	11.8
281.12466	0.7
282.09799	0.8
283.10825	3.6
284.11484	1.4
285.08655	1.4
285.12259	4.6
287.10245	0.7
287.13940	0.7
289.15530	1.4
291.11121	1.0
293.09171	38.9
294.09552	2.0
295.07211	1.5
295.10693	10.0
297.08719	1.3
297.12323	4.3
299.10150	2.6
301.11743	2.6
302.12650	1.5
303.13455	4.3
304.13672	0.6
305.09241	0.8
305.15076	0.5
307.10629	0.8
309.08737	11.0
309.12244	1.9
310.09128	0.7
310.12900	0.6
311.10220	7.5
311.13660	0.8
313.08408	0.9
313.11682	2.7
315.13379	3.3
316.14346	0.7
319.13037	1.1
321.08643	21.5
322.08969	1.1
323.10297	1.7
324.10962	0.5
325.08279	0.6
325.11819	0.8
327.09711	17.6
328.10553	0.7
328.14374	0.7
329.11322	1.9
329.15030	0.7
330.12238	1.2
337.08075	2.3
337.11566	0.7
338.12448	0.6
339.09708	52.7
340.10223	4.3
340.13980	0.8
341.11249	5.0
342.12271	1.0
342.16135	0.6
344.13849	1.3
345.10864	1.0
345.14664	0.6
346.15421	0.6
353.11279	0.6
355.09222	5.4
355.13116	0.9
356.13974	0.8
357.10736	7.2
358.15756	0.9
359.12393	1.4
359.16412	0.6
361.14014	1.7
368.14175	0.6
369.10638	5.9
369.14441	0.8
370.11108	0.6
371.12268	15.3
372.13007	1.2
373.10150	2.0
373.14215	2.9
374.14722	0.7
376.12701	0.8
386.14667	1.5
387.11795	27.9
388.12192	0.8
389.13379	100.0
390.13712	3.2
397.14139	0.6
400.16592	2.2
403.15912	1.2
410.14926	0.8
412.16882	1.1
416.15753	2.0
418.17133	0.7
419.14893	0.6
426.14206	0.6
428.15982	1.6
429.14484	0.7
430.17593	1.2
433.16345	0.6
434.16721	2.3
438.14725	0.6
444.15329	1.3
446.17004	3.6
447.16046	0.9
448.18878	2.4
452.18222	1.1
456.15219	2.5
458.16760	1.6
462.16479	1.6
464.17975	3.8
474.16733	2.8
475.35638	0.7
476.18103	3.6
477.36966	0.7
480.17581	1.5
490.19934	1.5
492.17511	5.6
496.20529	1.9
506.19055	1.7
508.20685	10.1
512.20410	5.3
524.20215	29.4
525.20129	0.8
579.22296	0.6
581.23517	1.6
588.82172	0.6
599.24933	7.3
607.21796	1.1
613.26263	2.0
615.21643	0.5
617.26001	3.8
625.22974	3.5
631.27759	9.2
637.18494	1.7
643.23846	12.4
644.22589	0.6
649.28577	7.7
657.25317	6.3
658.25061	0.7
661.14172	0.9
661.24927	15.3
662.25238	0.7
675.26471	33.0
676.26581	1.6
693.27472	16.8
694.27283	0.9
712.24365	0.6
799.23376	1.8
805.29065	0.9
865.29333	0.6
909.30695	2.4
941.32098	0.9
1053.33728	0.9
1071.35059	3.5
1085.35413	0.7
1103.34521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03910	1.1
55.05503	8.9
56.05019	0.6
65.03929	3.8
67.05494	100.0
68.05017	7.4
68.05826	2.7
69.04541	10.7
69.07056	5.7
70.91013	1.1
70.91376	0.8
79.05477	4.8
80.05026	1.1
80.06261	1.1
81.03410	1.3
81.07045	29.5
82.06565	3.9
83.06088	1.9
86.00668	0.8
87.00443	6.9
91.05489	0.9
92.04987	0.9
92.05789	1.2
93.04517	1.7
93.05756	0.7
94.06095	1.1
94.07785	1.1
96.00960	0.7
98.51241	3.1
107.08591	4.0
109.06508	1.8
109.07646	19.4
109.10139	80.1
110.02071	0.6
110.06018	21.5
110.07142	36.6
110.09785	0.9
110.10445	3.5
110.74305	0.5
111.96857	0.5
113.96360	2.9
121.59180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03909	0.6
79.05463	1.9
80.05001	1.4
81.03410	6.5
81.07069	0.6
82.06581	0.8
84.08127	0.9
85.02891	14.9
86.09665	1.5
87.00818	4.4
89.03881	0.6
91.05486	2.8
93.07018	2.4
94.06536	2.5
95.04944	1.1
96.08129	0.8
97.02869	6.2
99.04424	2.6
105.01847	3.4
105.06999	1.0
106.06532	6.8
107.07323	8.2
108.08103	13.1
109.02844	6.4
110.06024	2.0
110.09657	1.2
117.01878	0.8
118.06566	1.1
120.04414	1.4
120.08088	10.5
121.08844	1.1
122.06061	3.6
122.09648	64.1
123.10001	0.9
124.07572	0.5
127.03894	9.5
129.01839	1.3
132.08076	0.8
134.05989	1.5
134.09625	0.7
136.07562	15.8
136.32501	0.6
137.07906	0.7
138.09100	2.4
140.07039	1.9
144.04416	1.5
144.08018	0.7
145.04919	1.7
146.05983	9.1
146.09650	2.5
148.07545	9.9
150.05455	0.6
150.09077	3.5
152.07047	5.9
154.04994	1.1
158.05966	0.9
159.02867	2.4
160.07584	0.9
162.05449	1.9
162.09106	1.8
163.03806	0.6
164.07042	25.3
166.08612	56.5
167.09012	1.1
172.03894	8.0
174.05469	2.2
174.09102	0.6
176.07039	4.9
178.08516	0.6
182.08043	0.7
182.09581	0.5
186.09201	0.6
188.06934	0.5
190.04959	6.6
190.08618	0.9
191.94342	0.6
192.06462	1.7
197.10695	2.2
198.09261	0.9
198.11456	1.9
199.08554	0.7
204.06497	9.4
204.08205	0.8
206.08112	0.8
208.09679	1.0
209.10747	2.2
210.11482	8.6
211.08737	0.9
211.12244	4.3
212.12883	0.8
213.10231	0.6
213.13828	0.8
217.04372	0.5
218.08058	3.8
220.09737	1.6
221.10747	1.4
222.11479	2.3
223.08685	1.2
223.12244	2.8
224.09271	0.7
224.13069	1.7
225.10249	3.2
225.13805	2.1
226.10960	1.8
227.11777	3.6
229.13332	1.8
231.04913	1.2
234.11424	0.9
235.08640	2.7
235.12128	3.1
236.09383	2.2
236.12982	1.3
237.10162	8.6
237.13815	2.3
238.10941	7.6
238.17918	1.1
239.11746	10.2
239.15359	0.7
240.12477	2.3
241.13350	1.3
243.11267	1.2
245.12854	0.8
246.07533	0.9
247.12361	1.2
248.09349	6.1
248.13071	0.6
249.10193	10.6
250.10956	7.9
251.07993	1.2
251.11765	17.1
252.08867	1.5
252.12526	5.2
253.09676	2.4
253.13329	10.3
255.11209	3.2
255.14914	1.1
256.11966	1.3
257.12881	2.3
262.11044	2.2
263.11749	30.9
264.08875	4.2
264.12463	6.5
265.09720	4.7
265.13306	11.4
266.10471	3.2
266.13919	1.9
267.11267	6.7
267.14557	1.2
269.12790	8.5
270.13599	2.7
271.10815	2.3
271.14188	2.9
272.15079	0.7
273.12442	0.9
275.11847	1.6
276.08826	1.0
276.15649	0.6
277.09695	5.6
277.13263	2.1
278.10425	6.6
279.11234	60.9
280.11896	6.0
281.12772	18.5
282.10059	1.3
282.13492	2.9
283.10733	2.7
283.14377	6.7
284.11563	3.2
284.14343	0.6
285.12225	6.4
287.14017	3.6
291.11237	15.8
291.14447	1.3
292.11877	4.8
293.09354	1.4
293.12756	18.1
294.09964	0.8
294.13257	2.0
295.10715	3.8
295.14395	3.7
296.08719	0.4
296.11487	13.0
297.12286	47.9
298.12930	5.5
299.13840	15.9
300.14371	1.0
301.12015	0.6
304.08331	0.6
305.09149	1.0
305.14853	0.8
307.10745	5.3
308.11505	0.6
309.12286	88.9
310.12808	6.7
311.10507	1.9
311.13834	38.1
312.14398	2.1
313.11749	1.4
313.15314	6.0
315.13693	0.9
316.14444	1.2
318.19629	0.6
319.10709	13.0
320.11243	1.0
321.12292	9.9
323.10120	3.3
323.13849	3.3
325.11765	10.5
325.15326	1.2
326.12570	0.9
326.16101	0.8
327.13376	3.1
328.14319	1.2
328.17862	0.8
330.15878	1.6
337.11758	69.8
338.12283	4.9
339.13351	36.0
340.14221	2.8
340.17810	0.6
341.15027	1.9
342.12146	1.3
342.15982	1.4
343.12741	2.3
343.16705	1.1
344.17560	1.8
346.18967	0.7
351.13287	1.4
355.12799	4.9
355.16443	0.8
356.13672	2.2
356.17566	1.2
357.14389	8.2
357.18253	1.1
358.15036	0.7
358.19043	1.2
369.14392	100.0
370.14990	8.9
370.19339	0.9
371.15970	64.7
372.16721	3.9
373.13983	1.1
374.14716	1.6
378.21762	0.7
380.14130	0.7
384.17130	2.1
386.18610	4.6
387.15454	2.9
388.16211	1.1
388.20551	0.7
390.17844	0.8
398.14713	1.9
398.18765	1.6
399.15662	1.8
400.16351	1.8
400.20331	1.7
401.13470	1.9
402.17657	1.0
402.22061	0.8
404.19751	2.8
405.20334	1.6
406.21155	1.5
408.19110	0.9
410.18433	0.9
412.16553	3.2
414.18121	2.1
416.15924	2.2
418.21371	7.5
420.22794	7.5
426.18008	2.4
428.19650	6.4
430.16827	2.9
431.18555	1.4
432.19101	6.3
434.16888	3.3
438.19995	0.6
440.15863	2.0
444.19186	8.4
446.20825	15.3
447.21313	1.2
450.20206	6.9
454.17426	2.5
456.18945	2.0
458.16956	6.8
459.17249	0.8
462.20233	3.9
464.22006	13.7
466.19678	1.1
472.18671	5.8
473.19028	0.7
474.20499	0.8
475.35214	1.4
476.17969	9.4
477.37247	0.9
478.23758	7.9
479.23297	1.0
482.19321	5.0
490.19644	16.8
492.21021	0.8
494.19183	30.4
495.19452	1.7
496.20853	0.9
498.22049	1.4
504.21365	2.7
508.20578	7.3
510.22379	8.3
514.21808	18.8
515.21991	1.2
522.22284	21.5
523.22247	1.0
526.21790	62.4
527.22198	3.3
558.18091	1.5
559.28851	2.0
567.25513	2.7
569.23694	0.9
585.18182	1.1
585.26837	6.5
593.23444	1.6
603.28033	18.7
604.27966	1.9
608.25671	0.7
611.24847	6.0
612.25012	0.6
617.18927	0.7
617.28583	0.8
629.25940	60.7
630.26312	4.3
634.23627	0.9
635.30579	18.1
636.31250	0.9
643.27728	0.7
647.16449	1.0
647.27039	17.7
648.27356	1.4
661.28577	36.4
662.29004	3.2
666.26508	1.0
679.29480	7.9
720.23102	0.8
738.25153	1.4
742.24298	4.4
747.21521	1.5
762.26306	1.0
774.27130	5.1
779.23657	1.0
791.30804	2.1
800.20557	0.7
833.31598	0.7
851.32568	1.3
856.31012	3.4
874.31616	1.6
877.30402	1.0
882.29724	3.6
883.36169	1.1
895.32349	1.2
900.29620	2.1
904.28870	1.5
914.30695	1.7
927.33667	0.8
932.31482	2.0
936.31824	0.8
1021.33203	0.9
1039.37170	2.6
1071.38892	0.9
1089.39014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	4.7
80.04990	2.4
81.03409	5.9
81.05830	0.6
81.07016	1.1
84.08137	1.1
85.02884	12.2
86.09688	1.5
87.00809	5.0
89.06025	0.7
91.05457	6.7
93.07029	4.5
94.06552	3.7
95.04943	2.9
95.07327	1.2
95.08602	1.1
96.08103	4.5
97.02871	5.9
99.04444	1.9
103.05441	4.4
105.01859	3.8
105.05728	2.7
105.06973	0.6
106.06535	0.8
107.07299	2.2
107.08549	1.6
108.08088	6.8
109.02847	4.6
109.06516	0.9
109.08846	0.6
110.07153	0.6
110.09667	1.6
116.04948	1.1
117.05733	1.6
117.06988	1.3
118.06494	4.5
119.07298	0.9
120.08080	100.0
121.08961	3.2
122.08753	1.1
122.09646	22.3
124.11207	24.1
127.03899	6.8
128.32466	0.5
129.01817	1.2
130.06548	0.6
131.07246	0.7
132.08066	1.6
133.08591	0.5
134.05980	0.6
134.09627	3.6
135.10434	1.0
136.07587	3.6
136.11191	51.2
137.11554	0.5
138.09129	5.0
143.07204	0.9
144.08049	7.5
145.04900	2.4
145.07607	0.7
145.08775	1.0
146.05975	3.9
146.09589	1.5
147.09131	1.1
148.07550	2.7
148.11159	2.5
150.09106	1.1
158.09596	1.7
159.02878	1.8
159.09143	2.0
159.10402	0.9
160.07570	1.0
160.09940	0.9
160.11111	3.5
161.10658	0.6
162.09105	2.0
164.07028	24.0
164.10680	5.9
166.08630	0.9
166.12239	10.1
168.06538	0.7
172.07446	0.5
172.11189	1.8
173.07143	0.6
173.10698	1.1
177.13899	0.5
178.08656	0.9
178.12238	6.0
183.09079	0.7
183.14903	0.7
184.09822	0.7
185.10651	0.6
186.09190	0.8
187.04929	0.9
187.08647	2.1
187.12277	1.0
188.10703	0.8
189.06557	1.5
189.10211	0.7
190.12279	1.9
193.13382	0.7
197.07158	0.7
197.10716	1.8
198.09738	0.5
198.11348	3.6
199.08708	1.2
199.12303	3.8
200.12915	0.6
201.06525	0.9
201.10239	1.0
202.08710	0.6
203.08134	1.7
203.11763	1.8
204.06569	1.4
205.13353	0.7
208.09819	0.9
209.10622	1.0
210.11496	1.3
211.08710	2.4
211.12228	2.8
212.12897	2.7
213.06628	0.7
213.10219	1.2
213.13788	1.8
215.04523	1.9
215.08107	5.3
215.11813	0.5
216.06625	0.6
216.13826	2.7
217.06142	2.9
217.09721	0.6
217.13327	1.7
222.11253	0.6
223.08623	0.6
223.12213	3.2
224.12918	1.2
225.06563	0.8
225.10173	1.5
225.13853	3.8
226.10861	0.7
226.14507	2.8
227.08073	0.9
227.11833	0.9
227.15413	4.9
228.06601	0.6
228.08765	0.6
228.12321	0.7
228.16196	1.4
229.06027	2.0
229.09698	2.3
229.16948	23.4
230.06821	1.9
230.17250	0.7
231.05020	1.5
231.07631	3.1
231.11305	1.0
231.14890	1.0
233.09102	0.7
233.16490	1.1
234.07556	0.8
235.12305	0.9
236.09343	0.5
237.10173	2.2
237.13794	11.0
238.14545	1.3
238.17964	1.1
239.08072	1.1
239.11818	2.6
239.15341	1.4
240.12473	0.8
240.19516	0.8
241.09689	1.8
241.13333	5.9
241.16936	11.2
242.13762	0.5
242.17355	0.5
243.03941	0.8
243.07623	7.5
243.11224	0.6
243.14851	1.9
243.18507	13.2
243.20845	1.0
244.08360	0.8
245.09135	2.2
245.16420	1.7
248.13040	1.1
249.11349	1.5
249.13931	2.2
251.08145	0.8
251.11716	0.9
251.15340	1.1
252.16234	3.5
253.09677	2.0
253.13289	2.2
253.17012	1.8
255.07631	0.7
255.11272	1.2
255.14891	10.8
256.12247	0.7
256.15338	0.7
257.05524	1.0
257.09146	7.7
257.12021	0.6
257.12985	0.6
257.16418	3.5
259.07147	4.4
259.10831	0.7
259.14401	2.1
261.08752	2.0
262.07166	0.5
263.15533	0.8
265.09760	3.1
265.13336	1.5
266.14041	0.8
267.07645	1.1
267.11285	5.8
267.14767	4.3
269.09238	2.0
269.12756	1.3
269.16510	1.3
270.13440	0.6
271.07129	5.8
271.10706	1.6
271.14429	1.4
272.07999	1.0
273.08615	9.7
273.16022	1.4
275.06653	1.4
275.10211	1.3
277.16919	0.9
279.11346	0.8
280.15677	0.8
281.09180	1.8
281.12967	1.1
281.16422	2.3
283.10822	1.6
283.14410	4.1
284.11407	1.3
285.05450	1.1
285.08694	10.0
285.12317	1.8
285.15958	0.8
285.19623	2.2
286.09366	0.9
287.10263	6.4
287.13446	0.8
289.08179	7.2
291.09854	0.7
293.09198	4.8
293.12555	0.9
293.16501	1.5
295.10779	4.5
295.17990	25.2
296.15414	0.9
296.18692	3.5
297.08771	1.7
297.12433	1.8
297.15857	0.5
297.19583	1.7
299.06558	1.8
299.10217	1.4
301.12109	0.9
301.15329	5.9
303.06177	1.4
303.09686	24.4
304.09830	0.6
305.16644	0.5
309.12347	1.0
311.10175	1.6
311.17453	1.1
313.08145	6.6
313.11816	6.9
314.08615	0.7
315.09702	14.9
315.13367	1.0
317.07697	2.4
317.11258	1.2
321.08591	2.9
321.15802	2.5
322.15594	0.7
323.09854	1.2
325.11899	1.0
327.09641	0.8
331.09149	4.2
335.08783	0.9
337.10873	0.7
339.09671	8.9
339.16748	3.6
341.07602	6.6
341.11377	3.1
343.09128	0.9
343.13083	0.7
345.10818	6.6
345.14471	0.8
346.15173	0.8
349.10291	5.9
355.12961	0.7
357.10730	0.6
359.08615	9.3
359.12274	0.7
363.11777	12.1
369.10355	0.8
369.14560	0.9
371.12241	2.7
373.10089	1.9
373.14001	5.9
374.14389	0.7
377.09714	16.3
378.18448	0.7
386.13495	0.9
389.13361	10.8
391.11261	17.7
392.11490	0.8
393.13138	1.5
395.15744	0.8
405.12881	1.9
418.16562	0.7
420.19260	0.8
423.15683	1.0
424.18442	1.0
434.16891	1.1
440.17999	0.6
448.18533	1.1
450.20087	0.9
464.18292	1.9
466.19751	1.1
476.18448	2.9
477.36673	1.0
482.18823	3.1
483.19492	3.8
492.22079	0.9
494.19128	14.0
495.19580	1.0
496.20447	3.0
506.19412	0.7
508.20569	4.7
512.20343	1.1
514.21777	57.8
515.21844	3.3
524.20038	2.7
526.21753	63.9
527.22382	3.0
545.23669	0.7
555.25928	1.5
557.27277	1.0
565.24213	1.7
583.25378	9.2
584.25964	0.9
597.27051	1.7
601.26453	36.1
602.26660	1.8
609.23273	1.1
615.27979	26.0
616.28186	1.8
619.28009	0.9
627.24213	2.6
633.29053	71.7
634.29254	4.4
641.26141	1.4
645.25293	3.6
659.26984	17.3
660.26782	0.6
677.28015	14.7
678.28198	1.2
762.26855	1.4
774.26727	2.5
881.34137	1.3
925.32581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05460	0.3
80.04972	0.2
81.03406	0.7
81.06980	0.1
84.04489	0.3
84.08120	0.2
85.02435	0.1
85.02890	1.3
86.09663	0.3
87.00816	0.5
91.05482	0.3
93.06995	0.1
94.06551	0.4
95.04897	0.3
96.04399	0.1
96.08100	0.1
97.02865	0.5
97.06467	0.1
98.06017	0.2
99.04412	0.2
101.07087	0.2
103.05419	0.3
104.05250	0.1
105.01852	0.4
105.05720	0.1
105.06969	0.1
106.06555	0.1
107.07288	0.1
108.04462	2.4
108.08057	0.2
109.02872	0.6
110.06028	0.1
112.07536	0.1
115.08669	0.1
117.01772	0.1
118.06509	0.2
120.04387	0.2
120.08086	5.3
121.08899	0.1
122.06006	0.7
122.09660	0.6
123.04378	0.1
124.07571	0.6
126.05486	0.1
127.03878	0.8
129.01807	0.1
129.10185	0.1
134.06017	0.1
136.07568	0.5
137.05934	0.1
138.05502	0.7
138.09087	0.3
140.07047	1.0
142.08560	0.2
145.04875	0.2
146.05986	1.5
147.06702	0.1
148.03853	0.2
148.07542	0.9
149.29315	0.1
150.05463	0.4
152.07068	0.1
154.08563	0.1
156.78577	0.1
158.09550	0.1
159.02875	0.1
160.07506	0.1
160.09933	0.1
162.05467	0.1
162.09117	0.3
164.07062	1.2
166.04970	0.6
166.06198	0.1
166.08531	0.1
167.07016	0.1
168.06540	3.5
170.09651	0.1
172.03853	0.2
172.11171	0.1
173.07008	0.1
173.10715	0.1
174.05482	0.8
174.11501	0.1
176.06976	0.2
180.08096	0.1
181.04936	0.1
181.08777	0.2
182.09618	0.1
183.09187	0.1
186.09065	0.1
188.10555	0.1
190.04858	0.1
192.06470	0.2
193.07484	0.1
194.09636	0.2
195.09094	0.1
196.07559	0.2
196.09683	0.2
196.11224	0.3
197.08528	0.1
197.10675	0.3
197.93472	0.1
198.07640	0.1
198.09163	0.2
198.11275	0.1
199.08627	1.3
199.12323	0.2
200.07137	0.1
200.09021	0.1
201.10144	0.2
204.06512	0.7
206.08107	1.8
206.09622	0.1
207.08987	0.1
208.07527	0.1
209.08167	0.1
209.10603	0.1
210.07733	0.2
210.11440	0.1
211.08617	4.4
211.12138	0.8
212.09277	1.0
212.12576	0.1
213.06670	0.1
213.10216	1.5
213.13799	0.1
214.10927	0.4
215.11717	0.2
216.12408	0.1
221.10684	0.7
222.09152	1.2
222.11296	0.1
222.18680	0.1
223.08556	0.7
223.12169	0.4
224.10631	1.3
225.06653	0.1
225.10179	3.9
226.07314	0.4
226.08862	0.2
226.10684	1.0
227.08115	1.7
227.11647	0.6
228.08711	0.2
229.09650	0.2
229.13300	0.2
231.04982	0.2
234.09251	0.1
236.09352	0.1
237.10129	0.3
238.08772	0.1
238.10950	0.3
238.18004	0.1
239.08167	0.8
239.11745	6.7
240.08629	0.8
240.12411	0.6
240.19568	0.2
241.07268	0.1
241.09680	2.2
241.13344	1.2
242.08005	0.2
242.10344	1.3
243.07582	0.1
243.11232	0.3
243.15038	0.2
245.12845	0.3
249.10185	0.8
250.08606	1.1
250.10913	0.2
251.08037	1.0
251.11751	0.5
252.08521	1.2
253.09679	4.8
254.07996	0.1
254.10429	0.8
255.11212	1.1
256.11966	0.3
257.08997	0.1
257.12872	0.8
259.10403	0.1
259.14389	3.0
260.15063	0.5
261.15939	4.3
265.09628	0.1
266.10464	0.3
267.07813	0.5
267.11237	10.9
268.09067	0.4
268.11942	0.8
269.09247	0.4
269.12790	1.7
270.10022	0.1
271.10666	0.2
271.14236	0.1
273.12302	0.2
277.09509	0.3
278.08026	0.4
279.11218	0.3
280.08258	0.4
281.09140	1.1
281.12329	0.1
282.10214	0.1
283.10712	0.8
284.11374	0.5
285.08759	0.3
285.12241	2.0
287.10260	0.2
287.13815	0.4
289.11823	0.1
295.10724	5.7
296.09012	0.3
296.11752	0.1
297.12283	1.3
297.15308	0.1
298.10571	0.3
299.10416	0.4
299.13467	0.1
300.11066	0.1
301.11887	0.4
301.15179	0.1
303.13312	0.5
304.09546	0.1
305.09155	0.1
305.14890	0.8
306.07434	0.1
307.10693	0.1
309.12396	0.2
313.11758	34.5
314.12292	1.1
315.13293	0.9
323.10220	1.7
324.11124	0.2
325.11850	0.2
327.13187	0.4
331.12817	0.1
337.11880	0.1
340.13010	0.1
341.11270	12.4
342.12061	2.7
342.16208	0.1
343.12833	0.6
345.14655	0.1
355.12830	2.5
356.10980	0.1
358.14023	0.3
359.12308	4.4
360.12558	0.2
368.12997	0.1
373.13876	100.0
374.14258	2.6
375.15460	0.5
385.13818	0.1
386.13126	0.3
387.15558	0.2
387.73590	0.1
418.15906	1.2
432.19324	0.1
448.18942	0.1
474.16760	0.1
475.35406	0.1
476.17929	0.2
477.36520	0.1
480.21213	0.2
482.19354	0.2
490.20282	0.1
496.20828	0.1
506.18884	0.2
508.20688	0.6
512.20062	0.2
514.21741	0.8
557.27570	0.2
571.26178	0.1
583.25415	0.9
589.26361	0.1
601.26465	3.8
602.26825	0.1
609.22986	0.3
615.28198	0.8
621.19434	0.6
627.24286	1.2
633.29120	6.3
634.29108	0.3
641.25684	0.2
645.25568	1.1
659.27045	1.3
677.28119	2.7
677.37201	0.1
758.34467	0.1
783.24475	0.7
871.42889	0.2
924.32202	0.1
931.83234	0.1
970.49658	0.2
1087.48706	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	1087.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	2.0
80.05013	1.1
81.03397	5.9
84.04507	1.1
84.08124	1.3
85.02886	12.4
86.09691	1.2
87.00807	5.5
91.05495	3.7
92.04990	2.2
93.05762	1.4
93.07015	2.2
94.06538	8.8
95.04942	1.8
95.07324	2.5
96.04474	1.0
96.08109	6.5
97.02859	7.0
97.06501	1.4
99.04454	1.8
100.19019	0.9
104.04945	0.9
105.01849	3.3
105.06993	1.1
106.06531	21.1
106.07218	1.3
107.07317	4.0
108.04489	2.3
108.08091	26.4
109.02847	4.9
110.09660	9.3
114.43684	0.9
118.02882	2.2
118.06538	1.7
120.04456	8.6
120.08076	16.0
122.06010	3.3
122.09655	4.3
124.07583	3.9
126.09151	2.1
127.03870	8.2
131.26140	0.9
132.08073	2.2
134.05983	3.7
136.07553	9.7
136.11137	1.2
138.05522	5.9
138.09113	54.3
144.08070	3.6
145.04915	2.0
145.08755	1.3
146.05994	2.7
148.07542	97.1
149.08244	2.7
150.05495	3.6
150.09120	2.4
152.03447	1.3
152.07033	14.8
159.02872	1.4
159.10306	1.1
160.07578	1.1
160.11188	7.0
162.05479	17.4
162.09149	1.3
164.03461	1.2
164.07045	12.7
166.04955	2.6
166.08604	100.0
168.06548	1.1
174.09109	11.1
176.03448	1.3
177.13832	1.6
178.04953	38.0
180.06519	1.2
180.10162	1.4
182.08098	14.6
182.09637	0.9
183.10472	1.0
188.03383	40.4
188.10814	0.8
192.06560	2.6
194.08089	10.2
195.09044	0.9
196.06010	17.4
196.07741	1.2
197.10715	1.8
198.11435	1.8
198.32327	0.9
199.08681	1.0
199.12282	1.6
201.10292	1.1
203.11778	4.8
206.04472	6.1
208.09648	1.3
209.10698	1.1
211.08601	3.4
211.12177	1.1
213.10204	3.3
215.15355	1.5
216.13831	2.6
217.13367	1.5
220.06029	1.4
223.08699	1.3
225.10121	9.4
226.10812	1.8
227.08189	1.6
227.11771	6.6
228.12424	1.1
229.09781	1.6
229.13336	7.8
231.04922	1.1
231.47992	1.2
233.16492	2.2
236.09293	1.2
237.10162	3.3
238.11000	2.5
238.17984	1.3
239.08138	8.9
239.11673	5.2
240.08812	1.2
241.09663	9.3
241.13336	10.5
242.10474	5.3
243.11264	3.9
243.14946	2.7
245.12885	3.8
247.07030	1.7
249.10182	2.0
250.10934	1.2
251.08102	3.2
251.11784	2.6
252.08945	2.7
253.09657	20.6
254.10387	2.2
255.11250	7.9
255.14870	2.7
257.09006	1.3
257.12875	1.6
259.14407	2.8
263.11765	2.1
265.09689	12.0
265.12360	1.8
266.10397	8.1
267.07916	1.8
267.11221	16.4
268.11853	3.1
269.09235	3.0
269.12799	8.7
271.10785	13.7
271.14380	36.6
272.14780	1.2
273.12216	1.6
277.09650	1.5
278.10495	4.0
279.11230	2.7
281.09137	6.9
281.12161	1.2
282.10062	2.4
283.10690	9.3
284.11472	1.5
285.09003	2.3
285.12277	35.0
285.15601	2.1
287.13794	13.2
289.12119	2.6
289.15390	22.2
291.11353	1.7
292.11670	1.0
293.09155	14.8
294.09839	3.5
295.10724	21.6
296.11160	1.4
297.08676	4.8
297.12277	7.4
299.10269	5.6
299.13666	1.9
301.12015	2.0
301.15494	4.3
303.09964	1.9
303.13309	22.6
304.10175	2.2
307.10632	2.3
308.11514	1.2
309.12292	1.8
311.10181	32.1
312.10922	7.0
313.11795	28.4
313.15298	1.7
315.09720	5.5
315.13367	2.3
319.16415	6.0
320.11514	3.3
321.11301	1.6
323.10318	3.8
325.11743	1.6
326.12436	1.4
327.13361	3.6
329.11273	15.3
329.14957	1.8
330.12158	2.5
331.12906	6.3
332.17496	1.3
337.11862	1.2
339.09729	8.2
340.10172	1.0
341.11258	6.6
343.13104	3.3
344.13776	2.1
345.14343	10.6
346.15265	4.3
347.12265	12.7
348.17084	1.7
353.11172	5.1
355.12729	2.2
356.13617	1.8
357.10663	2.0
357.14609	1.9
358.15344	4.8
360.16873	2.9
363.15427	9.6
367.12964	1.3
369.10654	1.2
370.15338	1.7
371.12427	3.8
372.16837	1.8
373.13800	11.6
374.14722	5.8
375.11459	1.1
376.16455	3.0
378.18277	2.0
384.13269	2.2
385.13821	1.5
386.14487	3.9
388.16626	4.8
389.13235	8.6
390.14145	1.5
390.18198	9.0
398.14975	1.1
400.16510	1.4
401.17072	1.1
402.14474	3.4
404.15964	5.3
408.19122	9.8
414.17957	1.1
416.15875	9.0
417.16742	3.3
418.17514	8.7
419.18448	5.1
420.19144	8.0
422.16730	4.7
428.15863	1.8
432.19229	18.0
434.16635	7.7
436.18552	6.4
444.15320	2.5
445.16174	3.9
446.17053	9.9
452.21906	5.1
458.17175	5.5
460.18796	1.5
462.16330	6.5
463.17371	4.7
464.17673	26.8
465.18579	1.5
476.17917	17.6
478.19620	8.8
480.17264	3.7
490.19476	1.5
496.20691	38.4
497.20889	1.4
507.19843	1.3
508.20691	33.4
509.20905	1.1
510.22107	2.8
522.18695	1.1
523.23364	1.0
526.21490	1.3
539.25751	1.1
541.24432	5.9
545.23834	2.0
554.20911	1.9
557.27594	6.3
559.25189	3.6
561.17090	1.6
565.23920	1.6
567.21674	3.0
575.17487	1.0
577.26660	4.5
583.25391	25.9
584.24524	1.1
585.23157	6.8
597.26947	2.1
601.26422	83.0
602.26947	4.2
603.24060	1.1
609.23047	2.9
615.27979	20.8
616.27942	1.3
627.24353	35.9
628.24664	1.4
633.29041	50.4
634.28741	1.7
641.25769	6.8
645.25378	24.3
659.27148	13.9
677.28094	14.3
789.28625	1.4
849.31635	1.5
1063.69348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.081
Annotation	benzylazanium
Peak:m/z	Relative Intensity
53.38335	0.1
56.51543	0.1
64.80287	0.1
65.03925	1.1
70.15354	0.3
70.15763	0.2
73.69138	0.1
81.03411	0.3
91.05465	100.0
92.05797	3.1
108.02089	0.1
108.08108	0.4
113.84153	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	1087.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	1.9
81.03415	4.5
81.07042	1.0
83.04969	0.8
84.04457	1.3
84.08128	1.3
85.02881	11.8
85.41509	0.7
86.09688	2.4
87.00806	4.3
91.05457	3.1
93.07038	2.0
94.06548	2.9
95.04961	1.6
95.08585	1.1
96.08086	2.2
97.02861	5.6
98.63096	0.9
99.04447	2.3
103.05450	1.5
105.01855	2.5
105.06982	1.2
106.06535	1.2
107.07354	1.2
108.04449	3.8
108.08080	2.6
109.02858	4.0
110.09665	0.9
112.08719	0.8
115.05410	1.8
117.05715	1.0
117.06991	3.5
118.06530	0.8
120.04451	1.0
120.08084	14.8
122.05995	0.9
122.09641	6.1
127.03901	4.6
129.10226	1.6
130.06482	1.0
131.07263	3.5
132.08064	3.5
133.07603	4.5
133.08490	1.0
134.09662	0.9
136.07553	2.3
136.11188	2.9
138.05493	1.4
138.09109	2.1
140.07027	2.3
143.07277	3.3
143.08507	1.9
144.08057	25.7
145.04941	1.5
145.08846	12.0
146.05992	2.7
146.09500	0.9
147.06644	1.1
147.09151	5.9
148.07495	2.8
157.08838	1.4
157.10066	0.9
158.09636	7.0
159.09131	4.8
159.10364	2.4
160.09944	3.2
160.11177	53.1
161.10706	4.1
162.09113	7.7
164.07045	2.4
166.04956	1.9
166.08615	1.0
168.06558	3.2
168.07968	2.1
169.08870	1.0
172.11176	1.5
173.07112	1.0
173.10675	1.3
174.05417	1.8
174.09122	1.9
174.11446	1.1
174.12781	1.3
175.08710	1.7
175.12296	3.8
176.13081	2.2
177.13834	12.1
178.04999	1.1
178.12244	2.1
182.09641	1.1
183.10420	3.1
184.09895	1.4
185.10661	2.9
186.09174	4.8
186.11365	2.0
187.08540	1.8
187.12276	4.1
188.14249	2.1
197.10652	4.1
198.11281	10.5
198.12856	4.0
199.08656	1.7
199.12215	12.7
200.13042	3.7
201.10153	2.5
201.13866	1.3
203.11754	34.5
204.06558	2.3
204.10097	1.2
204.12140	1.0
206.08127	1.9
210.07846	0.9
211.08609	15.5
211.12245	2.0
212.09306	5.3
212.12933	1.4
213.06648	0.8
213.10168	5.7
213.13863	2.4
214.14519	1.7
215.11780	1.2
215.15385	12.1
216.13818	16.3
217.13330	10.9
221.10736	1.6
222.09232	1.5
223.08681	3.1
223.12247	2.9
224.09047	1.7
224.10953	1.5
225.06551	1.2
225.10175	14.3
225.13669	1.0
226.07210	0.9
226.10896	9.5
227.08197	2.1
227.11787	4.5
227.15367	2.2
228.12314	1.5
229.09668	6.4
229.13351	2.0
230.10442	1.6
231.11287	1.1
231.14836	5.0
233.16452	26.1
234.16814	1.5
237.10175	2.1
237.13777	1.7
238.17844	1.4
239.08139	6.4
239.11751	16.7
239.15390	1.5
240.08934	3.3
240.12480	4.4
241.09810	5.0
241.13307	76.8
242.13704	3.0
243.11095	1.1
243.14908	13.5
244.15462	1.0
249.10139	2.7
250.08505	1.5
251.08089	3.1
251.11798	2.1
252.09019	2.9
253.06133	3.3
253.09663	17.5
253.12474	1.6
253.13351	1.4
254.10422	3.1
255.11185	5.8
255.14867	29.5
256.11658	1.0
256.15646	2.4
257.09262	1.0
257.12738	3.2
257.16507	3.0
259.14365	21.9
265.09662	3.1
267.07706	4.5
267.11203	28.2
268.08151	1.1
268.11874	2.3
269.09122	3.3
269.12729	5.2
271.10626	1.2
277.09680	2.1
277.15457	2.4
279.07294	0.9
279.11234	3.1
281.09210	11.8
281.12411	1.7
282.09982	1.6
283.10764	6.1
283.13821	1.3
284.11322	1.7
285.09024	1.5
285.12253	19.8
286.12708	1.0
287.13980	1.7
293.09097	1.8
293.16458	2.5
295.07315	2.3
295.10660	21.6
295.17859	1.1
296.11362	2.1
297.12299	8.1
299.10272	4.8
301.11630	2.4
305.09372	1.6
307.10733	4.2
309.08652	4.3
311.10202	3.6
313.11749	50.6
314.12180	2.4
315.13397	1.6
315.16843	2.2
319.12903	4.4
323.10178	18.8
323.13663	0.7
325.11670	2.9
327.09665	2.0
329.11194	2.1
333.08719	1.5
339.09793	4.0
341.11230	31.2
345.14493	5.1
351.09659	5.9
355.12811	10.2
357.10742	0.9
358.14157	1.5
359.12115	4.5
368.12332	2.0
369.10773	10.1
371.12289	5.7
372.13113	3.2
373.13864	53.6
374.14279	3.0
383.12299	1.6
386.13449	6.2
389.13480	4.9
400.14835	1.9
401.13425	3.2
414.18137	1.8
418.16058	4.8
425.19666	1.2
434.19034	0.9
462.16736	1.0
485.21893	1.1
492.17657	1.2
493.18814	0.9
501.24921	1.6
508.20950	1.6
509.21451	1.2
524.19940	2.2
526.21808	3.7
527.22870	6.5
529.20355	1.5
537.24683	2.5
539.26422	2.5
541.24164	1.3
543.21942	0.9
545.23889	17.4
547.22906	1.2
553.20148	1.1
555.25635	6.7
557.27142	2.9
559.25348	6.5
563.22968	1.4
565.24280	9.0
571.21643	1.9
577.26526	24.8
583.25397	51.8
584.25885	4.3
591.21912	1.5
597.27039	10.4
599.24792	1.1
601.26422	88.3
602.26654	4.1
603.24377	2.1
609.23352	11.1
615.28021	100.0
616.28522	6.1
619.27075	1.3
621.25079	1.3
622.42847	1.0
623.24316	1.0
627.24377	13.6
628.23651	1.3
631.26660	1.0
633.29077	91.1
634.29022	5.4
641.25995	12.0
643.27319	2.1
645.25232	5.4
659.27026	16.1
660.27264	1.8
675.29364	1.6
677.28070	29.4
678.28119	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	1071.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05379	1.3
80.04893	0.8
80.63840	0.5
81.03256	7.6
81.03780	1.5
81.06947	0.8
83.04855	0.8
84.04376	1.2
84.07980	1.9
85.02741	16.4
85.03314	3.0
86.09562	1.3
86.10041	0.7
87.00665	4.3
87.04314	0.7
91.05314	2.5
91.05821	1.0
93.06865	2.4
94.06400	3.1
95.04819	1.6
95.07189	1.6
96.07956	4.4
97.02715	6.3
97.06392	1.0
98.87324	0.6
99.04283	2.8
101.07006	0.5
103.03767	0.6
105.01691	3.0
106.06422	1.2
108.07923	7.3
109.02690	7.9
109.03487	0.8
110.09497	10.2
110.10303	1.3
118.06373	1.2
119.04751	1.0
120.07907	8.4
122.05822	4.0
122.06767	0.9
122.09468	2.4
122.10307	1.1
124.07455	0.8
127.03710	10.5
127.08567	0.8
129.01714	1.3
129.06512	0.6
129.10098	1.4
131.07115	0.7
133.08466	0.8
136.07368	7.5
137.05823	0.8
138.08925	31.6
138.10066	2.4
145.04735	2.2
146.05821	1.7
146.09480	0.7
147.02689	0.6
148.07329	1.5
152.06827	2.0
159.02663	2.4
164.07028	6.9
166.08435	1.6
174.05600	0.5
174.08932	1.7
182.08107	11.4
187.08487	1.0
199.08440	1.8
201.09950	0.6
204.06381	1.3
211.08406	1.6
211.12122	0.6
213.10236	3.2
221.10472	0.6
222.11275	0.9
223.12128	1.2
224.12889	0.7
225.10182	4.1
226.10860	1.3
227.07874	0.8
227.11516	2.4
229.13142	0.9
231.04764	2.0
235.08444	2.5
236.09183	1.9
237.10135	4.4
238.10800	1.9
239.07909	1.3
239.11859	3.7
240.19556	0.9
241.09523	0.8
249.10201	6.4
250.10812	2.8
251.07820	0.8
251.11757	10.0
252.12386	1.1
253.09525	0.9
253.13100	2.4
255.11160	1.4
261.09998	0.7
263.11826	4.8
264.08646	0.9
264.12457	1.6
265.09491	3.0
265.13269	4.1
266.10223	0.7
266.41223	0.7
267.08347	0.6
267.11047	3.2
267.14426	1.0
269.09259	0.8
269.12625	2.9
271.10602	1.2
271.14255	1.4
272.14645	0.9
275.11871	0.7
277.09445	2.3
278.10226	0.8
279.11218	5.3
280.09256	0.9
280.11975	1.2
281.09024	1.1
281.12616	2.6
283.10608	1.2
285.12109	2.2
287.13937	1.4
291.10886	1.8
292.11682	0.8
293.09198	1.0
293.12628	2.0
295.10757	4.5
295.13858	1.0
296.11340	0.9
297.12271	9.6
298.12985	1.3
299.13660	2.1
301.11929	0.6
302.13278	0.6
304.14172	0.7
305.08932	1.2
305.12170	0.6
307.10544	2.7
309.12225	3.8
310.13049	1.6
311.13675	1.9
313.11765	1.1
314.12885	0.8
315.14307	0.7
316.14304	1.4
319.10431	1.2
321.12103	1.8
323.09946	2.2
324.10803	1.4
325.11569	1.2
327.13657	1.4
328.14590	1.2
329.15210	1.2
330.15854	2.1
332.13660	0.8
332.17465	0.7
337.11517	1.4
338.12445	0.9
339.13120	1.1
340.18082	0.8
341.15256	0.8
342.12146	1.2
342.15866	1.6
343.16904	1.6
344.13678	5.5
344.17484	1.6
345.14426	0.9
345.18332	1.1
348.17035	1.3
353.15027	0.9
355.13812	1.0
356.13745	1.3
357.14639	1.9
358.15271	2.9
358.19135	0.8
359.16061	2.5
360.16922	1.8
361.17828	0.6
368.17450	1.7
369.14850	2.0
370.15338	1.0
371.16217	1.3
372.12976	0.6
372.17068	3.9
373.13596	0.9
373.17731	1.6
374.18475	2.1
384.17151	1.1
385.14032	0.7
386.14401	1.3
386.18723	8.7
387.15619	2.3
388.15796	0.9
388.20242	1.6
396.16977	2.2
399.16046	2.5
400.16330	1.8
402.18121	12.4
403.18173	1.5
404.19693	1.4
410.50714	0.6
412.16180	1.7
414.18085	12.1
415.16592	0.6
416.19397	1.8
420.19196	8.5
424.16309	1.0
425.14490	0.7
428.18643	0.7
430.17618	5.9
432.19147	50.7
433.19473	3.7
442.17603	8.9
444.19278	0.9
448.18622	10.2
449.18491	0.8
454.17517	0.7
458.17236	1.3
460.18631	14.2
461.19223	0.8
462.20496	1.0
472.18375	1.5
474.20398	1.0
478.19409	0.8
480.21252	20.1
481.22391	0.9
490.19827	1.6
492.21201	13.4
508.20856	7.8
539.26141	1.1
557.27869	3.0
565.24475	1.7
567.26044	1.0
583.25256	1.3
585.26984	13.1
592.23138	0.9
593.23749	2.7
599.28345	1.7
601.26111	1.2
603.28241	4.3
610.23920	0.7
611.24896	8.6
617.29614	15.9
629.25964	100.0
630.26117	4.8
643.27557	9.2
647.27191	1.0
661.28601	81.4
662.28778	3.5
696.24084	1.3
755.29333	0.9
773.30975	3.1
791.31207	2.7
833.31909	3.0
859.30084	1.0
877.31110	10.0
909.33722	3.4
995.36572	1.1
996.96387	0.6
1021.36664	1.3
1039.36597	7.4
1071.39258	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	1071.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03898	0.5
79.05471	3.8
80.04976	1.7
81.02951	0.6
81.03399	8.0
81.05760	0.5
81.07041	0.5
82.06538	1.4
83.04932	0.4
85.02883	14.4
86.09686	0.7
87.00799	5.8
87.04435	0.7
89.03910	0.8
91.05441	3.6
93.05752	0.9
93.07018	3.4
94.05981	0.7
94.06544	8.1
95.04967	1.9
95.07333	4.0
95.08549	0.4
96.04459	1.0
96.07525	0.7
96.08110	10.3
97.02868	8.6
97.06486	0.7
99.04434	2.6
103.03907	0.5
103.05414	0.6
105.01846	3.3
106.06516	5.0
107.04918	0.6
107.07310	2.9
108.04438	0.7
108.08089	17.7
109.02850	6.7
109.08877	0.7
110.06031	0.5
110.09656	16.0
116.04971	2.2
117.01816	0.4
117.05733	0.8
118.06506	2.5
120.04428	1.3
120.08072	13.3
121.06454	0.5
121.08888	0.4
122.06002	7.9
122.09628	4.0
124.07565	7.7
127.03885	9.7
129.01799	1.1
130.06531	0.5
132.08055	3.4
134.05994	7.0
134.09619	0.8
136.07544	21.1
137.07901	0.6
138.09103	85.5
139.09454	0.9
141.17567	0.5
144.04424	3.6
144.08043	0.8
145.04932	2.6
146.05974	14.5
146.09604	1.7
147.02887	0.5
148.07536	14.8
149.08350	0.4
150.05499	3.2
150.09105	6.1
151.06319	0.4
152.07027	37.2
153.07333	0.4
156.08011	0.6
158.05939	1.3
159.02876	2.4
159.09059	0.4
160.03964	1.9
160.07596	1.9
162.05461	4.0
163.06200	0.4
164.07025	34.0
165.07765	0.9
166.08604	14.6
168.08153	0.5
168.10022	0.4
169.04976	0.5
170.09642	0.6
172.03897	19.7
172.07547	1.1
173.04387	0.4
173.08244	0.6
174.05458	3.4
174.09087	3.9
175.06210	0.4
176.07019	6.4
178.04939	0.7
178.08586	1.2
180.06511	1.3
180.08032	0.6
180.10173	1.5
181.04799	0.5
181.08521	0.4
182.08099	12.9
182.09557	1.0
183.09148	0.5
184.07607	0.4
184.09846	0.6
187.06044	0.6
188.06998	0.7
190.04951	13.5
190.08571	1.3
192.06535	2.1
192.10164	1.0
194.08125	2.2
194.09723	0.7
195.09030	0.4
195.10542	0.4
196.07613	0.5
196.09825	0.8
197.10712	2.2
198.11476	1.5
199.12265	1.4
200.07056	0.6
204.06509	28.7
206.08127	0.9
207.09036	0.5
208.09668	0.9
209.10724	2.7
210.11465	19.3
211.08563	1.5
211.12212	5.0
212.07561	0.4
212.09370	1.6
212.12907	0.8
213.10167	2.6
213.13776	0.6
215.61203	0.4
218.08043	4.5
220.09750	0.6
221.10608	2.9
222.07594	0.9
222.11424	1.4
223.08577	1.2
223.12213	5.2
224.09085	2.1
224.13051	1.9
225.10185	10.2
225.13579	2.2
226.10855	3.7
227.11732	7.2
229.13316	2.5
231.04872	1.1
233.10757	0.8
234.11371	0.5
235.08588	2.0
235.12207	3.8
236.09279	1.9
236.13023	1.3
237.10143	13.3
237.13741	3.2
238.08696	0.5
238.10907	11.1
239.08031	1.5
239.11714	13.3
240.12471	1.6
241.09763	1.8
241.13284	2.7
242.10394	0.7
242.13924	0.5
243.11226	0.9
245.12866	1.3
246.07571	0.8
246.11273	0.5
247.08427	0.5
247.12260	1.5
248.09305	3.5
248.12990	0.7
249.10155	8.2
249.13889	0.8
250.10881	8.7
251.08051	1.2
251.11743	19.2
252.08789	2.6
252.12489	4.9
253.09659	4.0
253.13341	6.9
254.10532	0.7
255.11272	4.0
257.12723	2.1
258.13577	0.6
259.14291	0.7
261.10071	0.9
262.10922	3.3
263.11737	23.0
264.08868	3.7
264.12262	4.3
265.09680	11.5
265.13290	13.2
266.10431	4.5
266.13971	1.3
267.11234	19.7
268.11948	4.9
269.12787	22.4
270.13269	1.1
271.08008	0.7
271.10742	8.8
271.14346	8.8
275.11710	1.7
275.14685	0.5
276.12604	1.0
277.09692	5.2
277.13290	3.1
278.10431	6.0
279.11212	58.2
280.11877	5.4
281.09592	0.7
281.12732	9.1
282.10016	1.4
282.13577	6.4
283.10745	6.4
283.14288	2.2
283.17343	0.5
284.11469	12.5
285.12271	22.5
286.13007	0.7
287.13867	1.2
289.12619	0.6
289.15457	2.9
290.10504	0.6
291.08054	0.6
291.11191	10.9
292.09039	0.4
292.11987	3.1
293.09146	6.6
293.12781	10.9
294.09756	1.1
294.13458	2.5
295.10715	6.4
295.14359	1.7
296.11517	10.1
296.14862	0.6
297.12262	100.0
298.12903	4.6
299.13870	5.1
300.14685	0.9
302.13293	0.7
303.11127	1.3
303.14270	0.5
304.11810	0.9
305.09204	1.1
305.12747	0.9
307.10742	4.1
307.14203	0.7
308.11087	1.9
309.12256	49.1
310.12991	14.5
311.10175	7.4
311.13821	5.6
312.10873	0.8
312.14514	0.8
313.11777	3.6
313.15482	1.2
314.12634	0.7
315.13425	5.0
316.14304	1.4
319.10715	9.4
319.14178	0.6
320.11276	1.2
321.12274	19.8
322.13052	1.7
323.10202	13.8
323.13690	1.2
324.10806	2.3
325.07831	0.8
325.11737	15.9
326.12430	4.6
327.13330	7.0
328.14584	2.6
329.14960	5.2
330.12399	0.6
330.15872	2.1
330.19394	0.4
331.16867	0.9
332.17453	1.1
333.12262	0.5
335.13843	0.7
337.11740	37.6
338.12473	12.4
339.13312	24.8
340.14099	1.8
341.11255	7.9
341.15033	1.8
342.12247	1.0
342.15964	2.4
343.13019	1.2
344.13754	1.7
344.17538	1.5
346.15591	0.8
346.19431	0.5
349.11609	0.4
351.13361	1.8
352.14285	0.7
353.15326	0.6
354.16058	1.0
355.12814	3.9
355.16586	0.9
356.13721	1.6
356.17523	1.2
357.14331	6.3
357.18103	0.6
358.15414	3.7
359.12369	1.3
359.16187	1.2
360.16959	3.4
360.20566	0.5
362.18683	1.7
363.13345	1.3
364.13980	0.8
368.13550	1.5
368.17679	0.5
369.14365	54.0
370.15216	6.5
370.19427	0.7
371.15955	25.3
372.17105	2.5
372.20700	2.5
373.13773	6.6
373.17639	0.5
374.14639	1.1
374.18616	3.5
375.15726	0.8
376.16391	1.1
376.20511	0.7
380.13928	0.5
381.14758	0.7
382.15366	1.0
383.16367	0.5
384.12860	0.9
384.17310	1.9
385.13910	1.3
386.14230	2.4
386.18698	1.3
387.15878	1.7
388.16382	5.2
389.17188	1.1
390.18170	2.3
391.18832	0.5
392.19797	2.8
396.16995	0.9
398.14395	0.8
398.18735	1.1
399.15280	1.8
400.16403	6.8
401.16983	1.7
402.18158	4.7
403.18951	0.9
404.19821	3.6
406.17523	1.3
408.19049	2.2
412.16840	3.3
413.17371	2.1
414.18271	3.4
415.14819	0.6
416.14655	0.5
416.20038	6.0
418.17374	7.0
418.22031	0.5
419.18234	0.9
420.18802	1.9
421.19836	7.3
422.15204	0.7
422.20679	8.9
424.16501	2.1
426.18173	0.9
428.16010	1.5
429.16641	1.1
430.17557	11.5
431.18417	1.0
432.19217	4.3
434.16925	1.8
442.17563	9.3
443.18195	0.6
444.19202	8.5
445.19635	0.5
446.21170	8.1
447.17603	8.5
448.18567	49.0
449.19150	4.3
450.20132	4.0
452.17310	0.6
454.17215	0.6
458.16672	0.9
460.18579	56.5
461.18906	3.3
462.20245	7.1
463.20752	2.8
464.21674	1.2
465.18759	2.1
466.19528	3.5
470.17020	5.9
471.17480	0.9
472.18567	10.8
474.16318	4.3
475.17719	0.5
476.17856	1.4
478.19550	3.6
480.21201	27.2
481.21625	1.0
486.16748	0.5
488.18073	8.0
489.18863	1.0
490.19745	3.7
492.21194	92.5
493.21658	3.3
494.23267	5.7
495.23505	4.4
499.17007	0.8
506.19107	4.1
507.19580	0.5
508.20734	1.2
520.20770	5.1
521.21826	0.6
538.21783	3.7
539.22272	1.1
548.19873	0.8
549.25262	1.0
567.25934	12.0
571.15314	0.6
574.17419	0.5
575.22961	0.6
585.26941	55.5
586.27759	1.8
593.23920	6.7
599.28412	1.7
604.22961	1.2
610.23981	0.9
611.24860	41.7
612.25055	1.5
617.29572	29.4
618.29871	1.0
622.23956	1.3
625.26361	0.9
629.25940	29.2
630.25830	1.1
643.27539	20.0
644.28192	0.7
650.22919	1.6
652.24243	0.6
661.28540	5.9
671.27216	0.5
682.25305	0.7
708.23590	1.2
710.25665	0.6
714.24133	0.5
715.18982	0.8
733.20154	1.8
736.22864	0.6
737.27625	1.4
740.25720	0.8
747.21814	1.5
754.24304	1.1
755.29083	2.2
765.23163	0.8
773.16577	0.8
773.29950	8.0
783.20612	0.5
786.27643	0.8
789.32489	0.8
805.31635	1.2
815.30530	1.4
833.32056	0.9
841.28381	0.6
854.28259	0.7
858.29340	1.1
859.29468	1.9
865.35504	0.7
870.29230	3.0
872.30060	1.7
873.31104	1.1
875.29187	0.9
876.29407	1.2
877.31342	2.6
880.26587	0.8
898.28815	4.4
899.28571	1.3
909.33899	0.7
916.29352	3.6
917.30225	2.2
918.30615	0.5
930.30408	1.8
930.61951	0.5
948.32050	1.5
949.32581	1.1
977.36328	1.1
985.30981	0.6
995.37103	3.1
1003.33575	1.1
1021.35254	8.0
1027.40564	0.6
1039.36023	7.8
1053.38281	1.9
1071.38977	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	1071.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05379	1.3
80.04893	0.8
80.63840	0.5
81.03256	7.6
81.03780	1.5
81.06947	0.8
83.04855	0.8
84.04376	1.2
84.07980	1.9
85.02741	16.4
85.03314	3.0
86.09562	1.3
86.10041	0.7
87.00665	4.3
87.04314	0.7
91.05314	2.5
91.05821	1.0
93.06865	2.4
94.06400	3.1
95.04819	1.6
95.07189	1.6
96.07956	4.4
97.02715	6.3
97.06392	1.0
98.87324	0.6
99.04283	2.8
101.07006	0.5
103.03767	0.6
105.01691	3.0
106.06422	1.2
108.07923	7.3
109.02690	7.9
109.03487	0.8
110.09497	10.2
110.10303	1.3
118.06373	1.2
119.04751	1.0
120.07907	8.4
122.05822	4.0
122.06767	0.9
122.09468	2.4
122.10307	1.1
124.07455	0.8
127.03710	10.5
127.08567	0.8
129.01714	1.3
129.06512	0.6
129.10098	1.4
131.07115	0.7
133.08466	0.8
136.07368	7.5
137.05823	0.8
138.08925	31.6
138.10066	2.4
145.04735	2.2
146.05821	1.7
146.09480	0.7
147.02689	0.6
148.07329	1.5
152.06827	2.0
159.02663	2.4
164.07028	6.9
166.08435	1.6
174.05600	0.5
174.08932	1.7
182.08107	11.4
187.08487	1.0
199.08440	1.8
201.09950	0.6
204.06381	1.3
211.08406	1.6
211.12122	0.6
213.10236	3.2
221.10472	0.6
222.11275	0.9
223.12128	1.2
224.12889	0.7
225.10182	4.1
226.10860	1.3
227.07874	0.8
227.11516	2.4
229.13142	0.9
231.04764	2.0
235.08444	2.5
236.09183	1.9
237.10135	4.4
238.10800	1.9
239.07909	1.3
239.11859	3.7
240.19556	0.9
241.09523	0.8
249.10201	6.4
250.10812	2.8
251.07820	0.8
251.11757	10.0
252.12386	1.1
253.09525	0.9
253.13100	2.4
255.11160	1.4
261.09998	0.7
263.11826	4.8
264.08646	0.9
264.12457	1.6
265.09491	3.0
265.13269	4.1
266.10223	0.7
266.41223	0.7
267.08347	0.6
267.11047	3.2
267.14426	1.0
269.09259	0.8
269.12625	2.9
271.10602	1.2
271.14255	1.4
272.14645	0.9
275.11871	0.7
277.09445	2.3
278.10226	0.8
279.11218	5.3
280.09256	0.9
280.11975	1.2
281.09024	1.1
281.12616	2.6
283.10608	1.2
285.12109	2.2
287.13937	1.4
291.10886	1.8
292.11682	0.8
293.09198	1.0
293.12628	2.0
295.10757	4.5
295.13858	1.0
296.11340	0.9
297.12271	9.6
298.12985	1.3
299.13660	2.1
301.11929	0.6
302.13278	0.6
304.14172	0.7
305.08932	1.2
305.12170	0.6
307.10544	2.7
309.12225	3.8
310.13049	1.6
311.13675	1.9
313.11765	1.1
314.12885	0.8
315.14307	0.7
316.14304	1.4
319.10431	1.2
321.12103	1.8
323.09946	2.2
324.10803	1.4
325.11569	1.2
327.13657	1.4
328.14590	1.2
329.15210	1.2
330.15854	2.1
332.13660	0.8
332.17465	0.7
337.11517	1.4
338.12445	0.9
339.13120	1.1
340.18082	0.8
341.15256	0.8
342.12146	1.2
342.15866	1.6
343.16904	1.6
344.13678	5.5
344.17484	1.6
345.14426	0.9
345.18332	1.1
348.17035	1.3
353.15027	0.9
355.13812	1.0
356.13745	1.3
357.14639	1.9
358.15271	2.9
358.19135	0.8
359.16061	2.5
360.16922	1.8
361.17828	0.6
368.17450	1.7
369.14850	2.0
370.15338	1.0
371.16217	1.3
372.12976	0.6
372.17068	3.9
373.13596	0.9
373.17731	1.6
374.18475	2.1
384.17151	1.1
385.14032	0.7
386.14401	1.3
386.18723	8.7
387.15619	2.3
388.15796	0.9
388.20242	1.6
396.16977	2.2
399.16046	2.5
400.16330	1.8
402.18121	12.4
403.18173	1.5
404.19693	1.4
410.50714	0.6
412.16180	1.7
414.18085	12.1
415.16592	0.6
416.19397	1.8
420.19196	8.5
424.16309	1.0
425.14490	0.7
428.18643	0.7
430.17618	5.9
432.19147	50.7
433.19473	3.7
442.17603	8.9
444.19278	0.9
448.18622	10.2
449.18491	0.8
454.17517	0.7
458.17236	1.3
460.18631	14.2
461.19223	0.8
462.20496	1.0
472.18375	1.5
474.20398	1.0
478.19409	0.8
480.21252	20.1
481.22391	0.9
490.19827	1.6
492.21201	13.4
508.20856	7.8
539.26141	1.1
557.27869	3.0
565.24475	1.7
567.26044	1.0
583.25256	1.3
585.26984	13.1
592.23138	0.9
593.23749	2.7
599.28345	1.7
601.26111	1.2
603.28241	4.3
610.23920	0.7
611.24896	8.6
617.29614	15.9
629.25964	100.0
630.26117	4.8
643.27557	9.2
647.27191	1.0
661.28601	81.4
662.28778	3.5
696.24084	1.3
755.29333	0.9
773.30975	3.1
791.31207	2.7
833.31909	3.0
859.30084	1.0
877.31110	10.0
909.33722	3.4
995.36572	1.1
996.96387	0.6
1021.36664	1.3
1039.36597	7.4
1071.39258	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02367	0.6
53.03704	0.4
53.03938	4.2
55.01867	1.3
56.05022	0.4
56.96556	2.3
58.99853	0.3
60.04504	0.7
61.04182	0.2
61.04852	1.1
61.08454	0.2
67.05489	0.4
69.03421	0.3
69.07049	0.9
70.42646	0.7
72.52955	0.8
73.02710	0.3
74.02935	0.2
75.01035	0.5
77.00893	0.3
77.03902	0.4
77.74200	0.2
79.05481	8.1
80.05005	0.4
80.05838	0.2
81.03401	0.9
81.53473	0.5
82.01422	0.6
83.03474	0.3
83.52362	1.1
84.01557	2.1
84.08128	3.8
85.51895	0.3
86.09679	0.4
86.52693	1.2
87.53484	0.2
91.05471	3.3
91.53712	0.3
92.52882	0.5
93.02069	1.6
93.05785	0.2
95.04954	8.6
95.05566	0.4
95.53226	0.3
95.54106	0.3
96.05261	0.3
99.53484	0.2
100.02468	2.0
101.02565	0.5
101.79959	0.2
102.02226	0.6
103.02423	0.4
104.04819	0.3
105.04498	1.8
105.07012	0.2
107.04939	100.0
107.11503	0.8
108.04488	0.3
108.05249	2.8
108.08082	0.9
112.07578	0.6
115.02415	0.2
118.03504	1.9
119.01902	1.1
119.03631	0.3
120.03285	0.5
121.03524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02362	0.4
53.03932	0.5
55.01865	0.6
61.04835	0.2
64.77701	0.2
65.03933	10.6
67.05496	2.5
70.75120	0.8
75.07645	0.2
76.49192	0.3
79.05482	12.3
80.05816	0.6
91.05469	100.0
92.05769	1.6
92.06282	2.3
95.04965	1.9
98.20753	0.3
103.05453	0.4
105.07018	35.1
105.20031	0.2
106.04185	0.7
106.07362	0.9
107.04948	3.9
107.08581	61.2
108.05790	0.2
108.08096	1.5
108.08907	2.1
109.06505	23.9
110.06847	0.6
119.06056	7.4
120.06356	0.3
124.05203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	3.0
80.05001	1.2
81.03401	5.1
81.07013	2.2
82.06550	1.7
84.04490	1.6
84.08124	3.3
85.02888	10.8
86.09685	3.7
87.00818	2.6
91.05457	2.8
93.07039	2.9
94.06551	5.9
95.07319	4.5
96.08124	9.3
97.02863	7.0
103.05460	2.0
105.01839	2.5
106.06522	3.9
107.04964	1.4
107.07314	2.8
108.08089	11.9
109.02849	5.5
110.07124	3.1
110.09672	14.4
116.04963	1.7
119.08608	1.4
120.08092	12.5
122.05982	3.0
122.09619	4.9
124.07534	3.1
127.03881	4.6
129.10202	1.6
132.08095	2.6
134.05975	5.3
135.08965	1.2
136.07535	13.6
138.09111	83.7
144.04337	2.9
144.07904	1.5
146.05994	8.3
146.09663	1.6
148.07530	9.3
150.05450	1.9
150.09157	3.3
152.07036	18.4
155.08235	2.0
160.03975	1.3
162.05528	3.1
162.48880	1.2
164.07039	15.5
165.09084	3.7
166.08565	9.1
172.03920	11.0
174.05519	2.4
174.09178	2.7
176.07004	3.7
178.08525	1.6
180.10207	1.8
182.08070	5.4
190.04915	5.9
203.11531	1.2
204.06506	19.5
204.65533	1.2
210.11467	11.7
211.12135	2.7
213.10210	2.8
214.95938	1.2
218.08057	3.9
221.10732	1.3
222.11443	1.7
223.08716	1.5
223.12289	2.8
224.09215	1.8
225.10179	4.8
226.10818	1.9
227.11702	4.4
229.13371	1.9
235.12341	1.6
237.10216	9.2
237.13858	1.7
238.10872	7.3
238.17943	4.3
239.08199	2.0
239.11786	6.0
240.19547	3.3
241.13261	2.1
243.11206	1.7
243.85837	1.3
245.12811	2.0
248.09444	2.7
249.10146	5.1
250.10808	7.3
251.11769	13.1
252.08762	1.4
252.12537	3.8
253.09525	2.1
253.13275	5.4
253.15625	1.4
257.12845	1.5
263.11810	17.8
264.08829	1.8
264.12451	3.6
265.09665	6.7
265.13272	14.7
266.10385	2.3
267.11298	10.5
268.11969	1.9
269.12833	14.5
271.10641	3.4
271.14331	5.9
273.28622	1.5
278.10342	3.8
279.11249	33.2
280.11841	3.2
281.12683	5.3
282.09964	1.7
282.13470	3.1
283.10742	3.8
283.14163	1.5
284.11642	6.9
285.12289	13.8
289.15494	1.6
291.11218	6.0
293.09140	5.3
293.12747	6.8
294.13297	2.1
295.10681	4.2
296.11539	6.1
297.12280	61.4
298.12943	3.6
299.13855	4.1
307.10754	1.7
309.12274	31.0
310.12994	12.2
311.10165	3.6
311.13855	6.8
313.11752	3.7
315.13330	3.4
319.10687	4.2
321.12143	8.2
323.10187	3.9
324.10672	1.5
325.11716	9.8
326.12308	2.0
327.13367	4.9
329.14981	3.0
337.11758	24.5
338.12509	12.4
339.13226	12.9
341.11197	3.0
342.15573	2.1
355.12497	1.4
357.14426	6.7
369.14392	34.9
370.15054	5.0
371.15961	15.0
372.16992	1.8
373.13931	5.6
377.28146	1.4
386.14444	1.9
388.16428	2.5
400.16473	3.9
402.17984	1.8
412.16098	1.4
416.19611	3.8
418.17371	3.5
421.19766	5.0
422.20435	4.6
430.17557	5.3
432.19110	5.8
442.17542	4.6
444.19302	1.7
446.20871	4.3
447.17532	2.3
448.18628	25.7
449.19131	2.7
460.18674	42.0
461.18912	2.4
462.20132	3.0
463.20801	2.6
465.18488	1.6
466.19357	1.8
472.18481	3.4
477.36609	5.0
478.19620	2.9
480.21201	28.6
488.18152	2.9
489.18704	1.7
490.19412	3.0
492.21255	100.0
493.21597	4.1
494.22427	5.2
495.23355	3.4
506.19012	2.2
520.20233	2.3
538.21356	4.6
548.19611	1.8
567.25775	8.0
585.27002	37.6
586.27130	2.4
593.23547	2.3
611.16010	2.1
611.24927	27.5
612.24469	2.0
617.29529	21.4
625.26160	1.6
629.25989	16.6
643.27417	13.0
661.27692	5.6
719.95776	1.8
773.29852	1.8
786.25616	1.7
833.31512	1.5
870.27765	2.3
902.31519	1.5
995.35822	2.4
1021.34058	1.8
1098.05383	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	1069.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05453	1.4
80.04964	0.7
81.03413	2.9
81.07009	0.7
82.06534	0.5
84.04459	0.4
84.08102	0.8
85.02892	6.8
86.09653	1.6
87.00784	1.5
89.03868	0.5
91.05427	1.4
92.04932	0.5
93.06992	1.3
94.06549	3.9
95.04929	0.6
95.07289	1.0
96.08108	3.0
97.02869	3.1
99.04411	1.0
103.05444	0.6
105.01808	1.3
105.07014	0.6
106.06528	1.3
107.07288	1.3
108.04427	1.0
108.07417	0.6
108.08100	7.8
109.02864	2.3
110.07152	0.6
110.09657	5.4
116.04963	1.8
116.63289	0.3
118.06507	0.8
119.04922	0.4
119.08515	0.5
120.04409	1.0
120.08085	5.2
121.06461	0.6
122.06031	3.7
122.08929	0.4
122.09631	3.4
123.04392	0.4
124.07555	3.9
127.03890	3.5
129.10182	0.4
130.06505	0.3
130.28101	0.3
134.06038	2.3
136.07550	3.0
137.05907	0.4
138.09111	29.4
144.04420	2.8
144.08064	0.4
145.04874	0.8
146.05997	3.7
148.07552	1.6
150.05463	0.9
150.09100	0.4
152.07037	3.6
159.02855	0.9
160.03944	1.9
160.07632	0.4
162.05501	2.2
164.07011	3.3
166.08580	1.3
167.07132	0.4
172.03902	16.5
172.07523	1.0
173.04146	0.4
174.05473	1.8
174.09102	0.5
176.07066	3.4
178.05003	0.6
180.06543	0.6
182.08092	2.3
186.05534	0.4
186.09001	0.6
187.08702	0.7
188.07066	0.5
190.04965	6.5
192.06509	0.8
195.09122	0.6
196.09834	0.5
197.10719	0.8
199.08572	1.0
199.12259	0.8
201.10117	0.6
204.06528	29.5
205.06873	0.4
207.09120	0.7
209.10751	0.7
210.09271	0.6
210.11420	0.8
211.08557	2.2
211.12207	0.7
212.09404	1.0
213.10219	1.8
216.09956	0.3
218.08162	0.5
220.16908	1.0
221.10725	0.8
222.07793	1.3
222.18475	1.4
223.08629	1.1
223.12140	0.7
224.09370	1.5
225.10168	5.4
226.10818	0.4
227.11737	5.2
229.09906	0.5
229.13408	0.4
234.11388	0.4
235.08696	0.9
236.09370	1.1
237.10184	3.4
238.10852	2.4
238.17905	1.1
239.11768	4.7
240.12347	0.5
240.19591	0.7
241.09641	1.8
241.13321	0.8
243.11162	1.1
248.09218	0.5
249.10185	2.7
250.10976	0.9
251.08144	1.2
251.11751	3.8
252.08913	1.3
252.12456	0.7
253.09673	3.2
253.13278	0.8
254.10411	0.6
255.11201	1.3
257.12997	0.5
261.10107	0.4
263.08017	1.7
263.11713	1.4
264.08862	2.3
265.09708	3.6
265.13251	1.1
266.10422	0.7
267.11243	3.9
269.09674	0.8
269.12750	6.7
271.10706	3.9
271.13684	0.6
271.14392	0.6
273.12387	0.4
277.09702	2.8
278.10425	0.9
279.11218	6.7
280.11658	0.5
281.09268	1.0
281.12833	1.5
282.09958	0.5
283.10724	7.8
284.11511	5.7
285.12292	4.6
286.13071	1.2
287.10779	0.7
287.13855	5.1
289.13184	0.5
291.11200	1.1
293.09195	0.6
293.12579	0.9
295.10739	3.7
296.11603	0.6
297.12283	17.9
298.13095	1.0
299.14041	1.9
300.11389	0.5
300.14807	0.7
301.12057	0.8
302.13080	0.4
303.13336	1.4
305.09064	0.9
309.12106	2.3
310.13074	0.6
311.10217	1.4
311.14011	1.7
312.14951	2.5
313.12097	1.2
313.15671	0.8
314.12817	2.2
315.13568	2.7
315.17154	0.8
316.11136	0.6
316.14560	1.5
317.15140	0.4
318.15833	0.6
319.10718	1.1
321.08600	3.0
321.12204	0.9
323.10223	6.0
323.13928	0.7
324.14523	0.6
325.11920	1.8
325.15631	0.5
326.13083	0.7
326.16507	2.5
327.13715	1.1
327.17273	3.0
328.10797	1.2
328.14478	2.8
329.11682	0.5
329.15039	6.4
330.12558	0.7
330.15921	2.6
331.13168	0.4
331.16724	1.1
332.17401	0.5
337.08127	0.4
337.11606	1.7
338.12762	0.7
338.16641	0.5
339.13403	1.3
340.14374	1.2
341.11282	3.7
341.15170	0.5
342.12381	6.5
342.16025	1.4
343.13113	3.2
343.16876	0.8
344.13824	1.8
344.17572	1.5
345.14673	0.4
346.15274	0.6
351.13452	0.7
352.14484	1.4
353.15579	0.6
354.12335	1.3
354.16019	1.2
355.12936	4.2
356.13852	7.7
356.17828	0.7
357.11368	0.3
357.14691	3.6
358.11389	0.6
358.15460	8.8
359.12457	1.0
360.16928	0.5
366.15942	1.3
367.13370	0.6
368.09796	0.4
368.13867	1.1
368.17813	0.4
369.10526	0.7
369.11420	0.6
369.14835	1.9
370.11646	1.3
370.15607	6.7
371.13193	0.5
371.16400	3.3
372.13263	0.8
372.17081	2.7
373.13834	5.6
373.17999	0.3
374.14703	1.0
374.18921	1.6
376.16687	0.6
380.13779	1.3
381.14038	0.4
382.11682	5.8
383.12570	4.2
384.13168	9.3
385.14020	4.7
386.14746	3.8
386.18646	7.3
387.15604	1.2
388.16455	1.1
389.17816	0.5
390.18060	1.4
394.15503	1.2
395.13687	0.5
396.12802	0.7
396.17404	0.7
397.14865	1.7
398.14932	26.4
399.15701	54.2
400.16568	3.4
401.13544	0.8
402.13724	0.9
402.18680	2.2
404.15952	3.6
412.16577	3.8
414.13535	0.7
414.18488	5.7
415.15152	5.2
416.15927	7.4
417.16678	1.9
418.17551	1.4
422.15247	1.3
428.15982	1.8
430.17593	8.0
431.18433	2.3
432.14600	0.6
432.19833	0.6
440.16019	6.5
441.16367	0.5
443.14642	0.5
446.17026	8.2
447.17542	1.1
448.18646	1.0
456.15607	1.3
458.17044	69.1
459.17477	2.8
460.18646	2.6
464.18237	0.5
472.18811	2.6
473.17130	0.4
474.16476	6.7
476.17667	0.5
477.37106	0.8
478.19666	9.8
479.20883	0.4
488.18149	1.2
489.18500	0.5
490.19656	100.0
491.19684	3.0
492.21173	1.6
506.19159	14.4
507.19733	0.7
523.23047	0.5
536.19281	0.4
547.23517	0.5
549.21124	0.6
565.24310	4.0
567.22339	1.6
583.25427	44.8
584.25934	2.5
589.16412	0.6
591.22089	0.7
597.26398	0.8
599.25037	1.1
609.13318	0.5
609.23340	9.1
615.28064	25.1
616.28119	1.4
627.24390	3.3
641.16193	0.7
641.26074	8.2
659.26331	1.4
733.20886	0.4
735.26135	0.5
738.24341	0.4
771.28748	0.9
787.31897	0.6
831.30957	0.5
863.32660	0.4
868.27417	1.0
875.29523	0.6
975.33942	0.6
993.36273	0.7
1019.33606	1.2
1037.33923	1.2
1068.45081	0.6
1069.47266	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	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
60.04519	29.0
69.88241	4.4
70.02959	0.8
79.05486	63.5
80.05826	1.4
80.25414	0.6
84.12653	0.7
88.03986	2.6
89.04901	1.2
91.05434	0.8
95.04934	1.6
96.04475	1.4
106.06544	100.0
107.04943	7.0
107.06893	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	1069.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05434	0.8
80.04961	0.7
81.03407	2.2
82.06527	0.7
83.44760	0.3
84.04431	0.3
84.08089	0.6
85.02890	5.1
86.09651	0.5
87.00813	2.3
89.03834	0.6
91.05409	1.0
93.05724	0.6
93.06965	1.4
94.06544	3.1
95.04887	0.5
95.07263	1.3
96.08115	3.4
97.02869	2.6
99.04398	0.7
102.06274	0.3
105.01842	1.6
106.06517	0.7
107.07250	0.8
108.04411	0.6
108.08096	6.1
109.02844	1.9
110.09656	4.9
114.23545	0.3
115.03991	0.3
116.04895	1.2
117.05714	0.4
118.06458	0.6
120.04407	0.7
120.07346	0.4
120.08077	4.5
122.06016	3.1
122.09611	0.5
124.07560	4.0
127.03885	2.7
134.05956	1.5
136.07472	1.3
138.09109	29.5
139.09273	0.3
144.04407	2.7
144.07874	0.4
145.04887	0.7
146.05980	3.5
147.06694	0.5
148.07474	1.1
150.05400	0.4
152.07024	2.3
158.09586	0.4
159.02776	1.0
160.03903	1.6
162.05499	2.2
164.07037	2.8
166.08592	0.4
172.03902	15.6
172.07558	0.6
173.04231	0.4
174.05458	1.6
174.08987	0.3
176.07065	2.7
178.04945	0.6
181.07521	0.5
182.08105	2.0
182.09422	0.5
185.06815	0.3
186.05353	0.4
188.06940	0.4
190.04944	5.7
192.06451	0.6
195.09064	0.5
196.09798	0.5
197.10638	0.8
198.09366	0.3
199.08524	1.0
199.12245	0.6
204.06517	27.3
205.06784	0.4
206.08078	0.4
208.09875	0.4
209.10689	1.2
210.09041	0.9
210.11162	0.4
211.08575	2.1
211.12117	0.3
212.09325	1.0
213.10170	1.6
221.10664	0.5
223.08609	1.6
223.12193	1.1
224.07298	0.3
224.09218	1.7
225.10175	4.7
226.10863	1.2
227.11726	6.1
231.04863	0.6
235.12370	0.5
236.09427	1.0
237.10187	2.6
238.08812	0.5
238.10901	1.8
239.11732	5.2
241.09793	1.7
241.13254	0.6
245.12791	0.8
245.91779	0.3
249.10181	2.7
250.10948	0.5
251.08080	1.0
251.11778	3.0
252.08887	0.9
253.09648	2.3
253.13438	0.5
255.11243	1.1
261.10065	0.5
263.08105	1.5
263.11664	0.8
264.08792	1.4
265.09668	2.5
265.12506	0.4
266.10349	0.9
267.11243	2.9
268.08371	0.5
269.09601	0.6
269.12811	7.2
271.10715	2.7
271.39957	0.4
277.09634	2.3
278.10278	0.9
279.11209	4.7
281.09128	0.8
282.09912	0.7
283.07791	0.6
283.10721	7.5
284.11472	5.6
285.12289	2.8
286.13202	1.6
287.10907	0.4
287.13889	5.2
289.13275	1.1
291.11227	0.4
293.12650	0.4
295.10645	3.2
296.11362	0.4
297.12268	15.1
298.13220	0.5
299.13864	1.5
300.11441	0.6
300.14819	0.7
301.12436	0.5
303.10995	0.4
305.09048	1.1
308.11514	0.3
309.12460	0.5
310.13281	0.6
311.10699	0.4
311.14063	1.7
312.11823	0.4
312.15085	2.2
313.12140	1.0
314.12799	1.9
315.13663	1.9
316.10934	0.7
316.14380	1.5
317.15033	0.5
319.10709	1.1
321.08630	2.4
323.10178	5.9
323.13864	0.7
324.11371	0.4
324.14914	0.7
325.11807	0.6
325.15726	0.5
326.13354	0.5
326.16446	3.1
327.13718	1.4
327.17227	3.2
328.10828	0.9
328.14395	2.6
329.11490	0.4
329.15012	6.4
330.12286	0.7
330.15933	2.9
331.16669	0.9
337.11679	0.7
338.12967	0.6
339.14063	0.4
340.14319	1.3
341.11307	4.7
342.12320	7.3
342.16104	1.9
343.13062	2.4
343.16699	0.7
344.13794	0.9
344.17517	1.8
352.14447	0.9
354.12363	1.2
354.15994	1.2
355.12903	3.5
356.13855	8.0
356.17258	0.5
357.14651	4.1
358.15439	9.9
359.12311	0.4
359.16315	0.5
360.16983	0.4
365.11261	0.4
366.16049	1.1
367.13535	0.5
368.13928	0.7
368.17874	0.5
369.10907	0.8
369.15109	0.9
370.11594	1.3
370.15457	7.0
371.16309	2.8
372.13245	0.6
372.17099	2.5
373.13797	5.7
373.17935	0.5
374.14700	0.7
374.18726	1.3
380.13995	0.7
381.14636	0.5
382.11691	6.7
383.12552	5.4
384.13193	8.5
385.14026	3.8
386.14597	2.1
386.18604	8.1
387.15784	0.7
388.16705	0.8
389.17044	0.4
390.18088	1.1
394.15500	1.4
395.13599	0.4
396.12695	0.5
396.17041	1.0
397.14389	1.7
398.07343	0.5
398.14926	29.6
399.15695	59.0
400.16223	2.6
401.13757	0.6
402.13916	0.9
402.18839	2.0
404.15817	2.9
412.16534	3.8
414.18268	5.6
415.15646	1.5
416.15942	7.2
417.16852	1.8
422.14899	1.7
428.15985	1.0
430.17511	7.3
430.23325	0.4
431.18387	2.0
432.18729	0.3
440.15988	7.9
441.16565	0.7
446.16937	7.0
456.15451	0.3
458.17020	73.9
459.17490	2.5
472.18591	2.3
476.17816	0.5
478.19656	10.9
484.21518	0.3
490.19632	100.0
491.19962	3.5
499.23163	0.5
547.03351	0.4
547.23395	0.5
549.21686	0.5
565.24274	3.2
567.22217	1.4
583.25421	45.2
584.25854	1.3
589.16754	0.6
591.22003	0.5
597.26801	1.2
599.25201	0.7
609.23334	7.0
610.23877	0.3
615.28021	27.1
616.28101	0.9
627.24347	1.3
641.25934	8.7
659.27130	1.1
690.17145	0.3
733.19952	0.4
771.29340	0.5
787.31732	0.6
804.63440	0.4
813.29346	0.4
831.30847	1.0
868.27228	1.5
875.28955	0.6
900.29309	0.5
993.36145	1.0
1019.33832	1.2
1037.33936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02879	0.6
79.05471	1.9
80.04993	1.1
81.03400	5.4
81.07027	0.7
84.04492	0.9
84.08104	1.3
85.02888	10.6
86.09670	1.5
87.00819	3.6
87.04456	0.4
89.03925	0.4
91.05463	3.4
92.04984	0.6
93.05769	1.3
93.07024	2.1
94.06548	2.2
95.04928	1.3
95.08527	0.5
96.04465	0.9
97.02873	5.3
99.04443	1.9
102.05527	0.4
103.03908	0.4
103.05458	0.6
105.01850	2.3
105.07027	0.6
106.06535	5.2
107.04894	0.5
107.07309	5.9
108.08097	13.4
109.02863	4.7
109.10089	0.4
110.06029	0.4
111.04345	0.4
112.08642	0.4
112.18631	0.4
116.04960	1.3
117.01866	0.6
117.05820	0.4
118.06528	1.1
120.04411	1.0
120.08082	8.4
121.08864	1.5
122.06020	4.5
122.09641	51.8
123.09966	0.5
124.07578	0.5
126.05547	0.5
127.03891	6.7
129.01790	1.0
129.10220	0.9
131.07274	0.8
132.08066	3.4
133.08807	0.4
134.05980	6.3
134.09567	0.5
136.07547	19.3
144.04457	2.2
144.08090	0.7
145.04932	1.5
146.05978	11.7
146.09599	0.9
148.07539	16.0
149.08334	1.1
150.05490	0.4
150.09100	7.2
152.07034	21.0
156.07944	0.4
158.06007	1.2
159.02853	1.4
160.03923	1.3
160.07527	1.2
162.05457	2.6
162.09105	1.1
164.05666	0.8
164.07037	11.3
164.10739	0.7
165.07770	1.3
166.08604	38.1
167.08891	0.6
170.09644	0.5
172.03908	13.5
172.07523	1.1
174.05479	4.4
174.09097	5.6
176.07037	5.1
180.10236	0.6
182.09612	0.6
186.09106	0.4
190.04944	6.5
190.08580	1.4
192.06535	1.4
192.10164	1.3
194.08040	1.7
196.07603	0.4
196.09828	0.9
197.10738	1.1
198.09317	0.4
198.11473	1.1
199.08624	0.6
199.12318	0.9
200.07202	0.4
204.06520	19.9
205.06667	0.4
206.08112	0.5
208.09773	1.5
209.10718	3.1
210.09293	0.9
210.11467	13.4
211.08643	0.8
211.12221	3.5
212.09282	1.0
212.12993	0.7
213.10187	1.6
213.13855	0.6
218.08067	3.0
219.09270	0.4
220.09821	1.1
221.10727	2.6
222.07570	0.5
222.09332	0.8
222.11487	1.8
223.08757	0.5
223.12207	4.3
224.09291	1.1
224.13037	1.3
225.10190	7.1
225.13820	1.4
226.08714	0.6
226.10980	1.9
227.11748	5.0
229.13356	3.7
231.04919	0.8
234.11485	0.6
235.08591	1.0
235.12190	3.1
236.09477	1.2
236.13107	1.0
237.10178	8.8
237.13710	2.2
238.10913	8.0
238.17931	0.7
239.08051	1.1
239.11740	8.9
240.10222	0.4
240.12524	1.3
241.09703	1.8
241.13295	1.9
242.14133	0.4
243.11253	0.5
243.14905	0.7
247.12341	1.0
248.09380	3.4
248.13055	0.4
249.10152	6.6
249.12767	0.5
249.13931	0.6
250.08481	0.7
250.10898	7.2
251.08156	1.0
251.11749	13.8
252.08698	2.0
252.12439	3.3
253.09741	2.8
253.13330	6.0
254.10368	0.6
255.11237	4.1
255.13783	0.4
255.14980	0.6
256.12091	0.8
257.12845	0.9
261.10147	1.0
262.10855	2.4
263.11743	23.1
264.08954	2.8
264.12350	4.2
265.09695	8.8
265.13321	11.0
266.10492	3.6
266.13480	0.8
267.11243	14.1
267.14264	0.5
268.11938	3.3
269.12790	17.8
270.13498	0.5
271.10794	5.8
271.14401	9.7
272.14627	0.5
275.11658	1.4
276.08844	0.8
276.12540	0.9
277.09689	4.6
277.13303	3.0
278.10452	6.3
279.11224	52.7
280.11887	5.7
281.12781	12.9
282.10071	0.9
282.13538	5.2
283.10730	4.2
283.14325	3.6
284.11563	5.5
284.14615	0.7
285.12286	8.0
285.15131	0.3
286.12967	0.5
287.13916	1.1
289.09583	0.7
289.15561	1.3
291.11227	9.7
291.14426	0.5
292.08560	0.6
292.11853	4.2
293.09155	6.8
293.12781	8.2
294.09808	1.2
294.13489	2.7
295.10760	4.6
295.14420	2.0
296.11526	7.5
296.14911	0.9
297.12277	54.3
298.12955	3.8
299.13861	3.4
303.11166	1.4
303.14383	0.5
304.11981	1.1
305.09357	0.7
305.12769	1.1
306.10339	0.4
307.10703	7.1
308.11371	1.1
309.12271	48.8
310.12997	12.0
311.10199	3.9
311.13834	5.3
312.10818	0.4
312.14587	0.6
313.12100	0.9
313.15427	4.3
314.12915	1.0
314.16418	0.9
315.13800	1.8
316.14423	1.7
317.15848	0.5
319.10706	10.8
319.14221	0.7
320.11334	1.2
320.14868	0.5
321.12289	11.2
322.12900	1.4
323.10159	4.4
323.13663	0.7
324.11023	1.1
324.14679	0.5
325.11755	12.2
326.12564	1.3
327.13293	3.3
328.14297	1.4
328.18045	0.7
329.15366	0.7
330.12387	0.7
330.15909	2.1
331.16772	0.7
332.17538	0.6
335.13947	0.6
337.11737	26.9
338.12497	10.0
339.13333	21.6
339.17477	0.8
340.14240	1.7
341.15054	2.6
342.12253	0.4
342.16177	1.3
343.12878	2.9
343.16592	0.4
344.13889	0.9
344.17542	3.2
346.19101	1.0
351.13293	1.4
352.14063	0.5
354.15811	0.6
355.12912	1.0
355.16772	0.8
356.13672	0.8
356.17587	1.3
357.14368	7.6
357.18130	0.4
358.15344	2.5
358.19302	0.8
359.16092	1.7
360.16830	0.7
360.20853	0.9
363.13348	1.1
364.13983	0.9
368.13745	0.7
368.17630	0.6
369.14374	58.1
370.15152	6.4
370.19131	0.9
371.15958	22.6
372.16843	4.6
372.20850	1.8
373.17722	1.1
374.14532	0.5
374.18658	2.3
375.15540	0.7
376.16309	0.6
378.21851	0.8
381.14404	0.6
382.15378	0.8
384.17017	1.6
385.13846	1.1
386.14935	0.3
386.18600	4.4
387.15543	0.6
388.16263	1.4
388.20282	1.4
390.18076	1.5
392.19571	3.4
394.15686	0.5
396.17139	0.6
397.17783	1.2
398.14200	0.7
398.18555	1.5
399.15604	1.3
400.16296	6.5
401.17468	1.6
402.18091	1.3
404.19794	1.9
405.20517	4.6
406.21329	3.6
410.18985	0.6
412.16330	2.9
413.17337	1.2
414.18103	4.6
415.18088	0.7
416.19794	5.5
418.17294	7.3
419.18002	0.5
424.16534	1.4
426.17969	1.6
428.19769	4.3
430.16534	3.3
430.22043	1.4
431.18271	6.4
432.19147	16.1
433.19577	1.9
434.20496	2.1
442.17642	7.3
443.17810	0.7
444.19254	3.2
445.19907	1.0
446.20755	4.6
447.21323	1.3
448.18246	5.8
449.19421	1.1
450.20203	1.5
454.17413	2.7
455.17874	0.7
456.19113	7.2
458.16962	5.4
459.17578	0.8
460.18576	56.0
461.18640	2.0
462.20105	1.7
469.15961	0.6
472.18625	5.3
474.20850	2.1
478.19785	2.1
478.24277	0.5
479.24026	1.1
480.14136	0.7
480.21140	12.0
486.16183	0.8
490.19586	1.4
492.21201	100.0
493.21552	4.1
501.19131	0.5
504.21149	1.8
522.22192	1.5
551.26477	5.6
553.24408	0.8
558.17853	2.0
569.27490	29.3
570.27527	1.3
576.19440	0.7
577.24615	2.3
583.29553	1.0
587.17651	0.5
594.23773	0.4
595.25378	52.0
596.25800	2.9
601.30072	14.3
602.30334	0.4
613.26440	22.3
614.26392	1.0
622.23883	0.9
627.28003	26.7
627.79968	0.5
628.28162	1.4
634.23566	1.2
645.29022	2.4
652.24036	0.5
655.27496	1.1
681.18280	0.4
685.28516	0.8
699.21179	0.5
708.23651	0.9
717.20844	1.4
721.28418	1.2
735.21497	0.7
739.29706	2.0
740.26813	0.5
747.21594	1.3
749.23022	0.9
757.30646	9.0
789.33154	0.8
799.31049	1.1
826.29980	0.5
838.28510	0.5
842.29309	1.5
843.30316	1.6
856.32019	0.6
859.30151	1.0
860.29968	0.7
861.30981	1.3
870.15265	0.5
870.29236	4.4
882.28381	3.0
883.30219	0.9
884.31055	0.9
893.33044	0.6
900.29584	1.6
901.31165	1.1
902.30676	1.3
914.32104	1.7
932.32733	1.2
933.32831	0.7
961.36218	1.1
969.33636	1.3
979.38092	1.0
987.34009	0.5
1005.36053	7.1
1023.37378	5.3
1037.37549	1.7
1055.38879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.071
Annotation	L-2-Aminobutyric acid
Peak:m/z	Relative Intensity
58.06588	2.8
58.27667	0.0
59.07374	0.8
60.08154	31.0
61.08484	0.3
66.99081	0.0
68.05014	0.6
69.03419	6.4
70.03754	0.1
71.34035	0.1
71.34371	0.1
86.06055	4.7
86.09700	0.1
87.04456	19.1
88.04787	0.2
88.07594	0.1
103.73347	0.1
104.07157	0.8
104.10725	100.0
105.10427	0.1
105.11045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1071
Annotation	Choline
Peak:m/z	Relative Intensity
51.74797	0.1
58.06583	3.1
59.07358	0.8
60.08153	30.6
68.04992	0.3
69.03418	5.9
69.30508	1.4
86.06054	4.3
86.09662	0.1
87.04451	17.9
88.04761	0.2
104.07152	0.6
104.10723	100.0
105.10403	0.2
105.11041	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79807	0.2
52.21339	0.2
52.53509	0.2
58.06588	3.2
59.07372	0.9
60.08157	31.4
61.08494	0.4
68.05027	0.4
69.03421	2.5
69.45686	0.2
70.01643	0.9
72.81696	0.2
83.67696	0.2
86.06057	1.8
87.04459	6.9
88.04751	0.2
93.04258	0.3
100.02472	0.4
104.10733	100.0
105.11069	1.7
118.03513	0.3
121.43114	0.2
121.50094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.615
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07080	0.2
86.09682	0.7
93.07034	0.2
95.08569	0.2
104.10710	0.4
141.10165	0.2
160.15840	0.2
175.34581	0.2
184.07338	0.7
185.04266	0.4
203.05272	0.7
218.09677	0.2
224.99918	0.2
259.07898	0.4
272.51257	0.2
292.88406	0.2
301.20190	0.6
317.17719	0.2
393.83182	0.2
427.60474	0.2
511.76257	0.2
535.29803	0.5
535.79431	0.5
536.29211	0.2
536.80182	2.0
537.30243	100.0
538.30444	3.4
568.34479	0.2
601.80371	0.2
952.65613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.6171
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09676	0.2
93.07050	0.1
95.08598	0.1
98.20702	0.2
98.97601	0.1
101.63805	0.1
104.10720	0.2
117.55954	0.1
128.88901	0.1
136.55382	0.1
141.10184	0.1
149.01147	0.1
153.00583	0.1
171.01550	0.1
173.98441	0.1
184.07295	0.2
185.04242	0.4
204.46117	0.1
221.05241	0.1
228.32086	0.1
271.47421	0.1
301.20117	0.6
311.50644	0.1
319.21030	0.1
375.24957	0.4
401.49344	0.1
534.79913	0.2
535.29572	0.3
535.79901	0.4
536.29510	0.4
536.80023	0.9
537.30280	100.0
538.30615	5.2
626.38037	0.1
797.51703	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03709	1.1
53.03942	14.6
56.96545	2.1
57.03422	1.9
57.05361	0.6
58.06593	0.7
60.08152	6.9
68.05004	2.1
69.03421	20.4
70.26366	3.4
74.06056	0.7
77.03922	3.5
81.03400	1.6
85.02894	2.3
86.06060	17.8
87.04457	62.0
95.04957	30.3
95.05567	1.5
98.20708	0.7
102.04672	4.4
103.04021	4.7
103.05454	100.0
104.05798	1.7
104.07080	2.3
104.10725	21.9
105.04508	5.4
107.93583	0.6
121.15672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07757	0.8
72.08141	15.4
74.06060	3.4
81.20053	0.7
84.04491	5.9
84.08123	2.6
85.02895	1.6
86.09684	5.0
91.05478	1.9
93.07044	1.8
94.06525	0.8
95.04961	0.8
95.08562	0.6
98.06062	1.1
98.20626	1.1
102.05523	5.2
103.05453	5.3
105.07017	1.1
108.08091	0.9
110.06044	0.5
110.09647	0.8
115.08656	1.8
116.07058	1.9
120.08080	100.0
121.08410	1.7
126.05517	1.3
126.09121	0.9
128.04196	0.6
128.07071	0.8
129.10191	0.9
130.04951	1.4
130.06522	1.1
131.04956	1.1
132.10152	1.6
136.07581	1.5
137.05980	0.8
141.10196	43.2
143.11765	5.0
144.01941	0.5
144.06554	1.4
144.08145	0.5
146.09601	1.3
154.04996	0.6
167.08150	0.8
169.09692	52.7
170.09982	0.8
171.07652	0.6
171.11279	2.2
172.11192	1.1
174.12767	1.0
176.10703	0.7
181.09729	0.7
186.09116	5.5
186.12415	1.4
187.10704	1.3
187.14380	1.0
189.08694	2.0
197.12935	0.8
199.07021	0.7
204.10213	1.5
210.19395	0.5
213.10188	0.6
214.08479	0.6
215.10240	2.7
215.13770	0.9
217.08142	3.1
217.13316	6.2
227.11803	0.6
230.23274	0.5
231.11296	1.4
233.14941	2.8
238.18060	1.0
240.16992	2.5
240.19395	1.3
241.09528	0.8
245.12813	10.2
247.10701	0.6
247.14452	1.0
249.12294	17.8
259.10773	1.3
268.16565	10.0
271.14526	0.8
275.13757	1.0
277.11734	10.3
284.12338	0.7
284.15836	1.0
286.13937	1.1
296.12271	0.8
299.10324	0.9
303.13229	1.7
303.16873	1.4
316.16599	5.4
330.16434	1.9
333.19522	0.7
356.16330	0.7
374.16815	0.9
379.16171	0.9
383.19174	16.5
387.23822	2.0
402.16684	1.5
415.23276	4.0
424.18533	3.6
427.19321	0.8
429.23041	1.1
445.20505	1.0
466.22754	1.6
477.36588	0.8
478.23416	0.8
484.23920	3.2
498.27383	1.0
516.27570	0.7
521.23767	1.6
526.26587	2.2
530.26093	4.3
544.27515	4.5
564.28021	1.6
579.31366	0.7
592.27484	7.8
597.32330	4.3
612.86658	0.7
615.33344	47.6
616.33618	2.7
663.34637	6.0
673.33612	0.7
691.34283	23.7
692.34802	1.7
742.34662	0.9
762.40112	16.0
763.40277	1.1
788.34454	0.7
806.36981	6.3
873.43378	0.9
879.41919	0.9
889.39740	0.8
907.41583	5.9
908.77655	0.6
1020.49860	3.3
1038.51453	11.6
1039.52661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41360	1.0
70.41746	0.6
77.00890	0.3
81.03381	0.8
82.99870	0.9
85.02892	0.5
88.76035	0.3
89.03912	0.7
94.81245	0.3
94.99815	0.5
95.30929	0.3
97.02883	1.4
101.00843	3.1
105.00346	0.7
108.62785	0.3
109.02883	1.6
113.00848	1.1
117.03358	0.9
119.01900	10.3
123.88840	0.3
127.02394	1.0
127.03886	0.3
131.00995	0.5
131.01889	5.8
133.03416	0.4
135.04391	2.3
137.02921	2.0
139.02341	0.4
142.03438	0.3
143.01874	12.9
143.03017	0.7
144.02055	0.3
145.03589	5.4
147.01346	1.1
149.02928	3.0
155.01866	17.0
157.03448	4.2
161.02937	15.2
161.04301	0.6
162.03148	0.5
163.03874	52.2
164.04221	0.7
167.01883	4.4
168.05013	0.4
169.03403	2.1
171.01347	0.8
171.04988	1.0
173.02939	51.8
174.03085	1.0
175.04489	1.2
179.01881	1.2
181.03415	0.6
184.04491	0.8
185.01044	1.0
185.02931	25.0
186.03029	0.8
187.04541	2.8
189.02356	0.5
191.02376	0.4
191.03967	2.3
193.03447	0.4
196.04556	2.0
197.02931	8.7
199.00774	0.6
199.04456	1.7
203.01926	2.4
203.03981	10.7
208.04561	0.6
209.03104	1.5
209.04819	0.4
211.04556	0.6
215.01996	0.6
215.03975	9.2
217.01820	2.4
220.04474	0.4
221.02928	44.7
221.04898	2.6
222.03098	1.2
222.10590	0.3
223.03236	0.4
227.03983	4.8
229.01848	0.5
229.05464	0.6
233.04950	0.8
235.04471	0.8
237.06088	0.6
239.03969	12.7
239.06371	0.7
244.04416	1.7
245.02866	8.8
245.05052	43.7
246.05206	0.8
247.04504	4.7
247.06685	1.1
249.05801	0.4
255.03519	0.6
257.02863	1.0
257.05060	14.5
263.03983	26.0
263.06216	4.7
264.04181	0.9
265.05591	0.9
271.04465	0.6
273.04398	2.6
275.03879	6.1
275.06186	5.5
277.05444	0.9
281.05023	74.6
282.05228	2.1
283.06473	1.1
286.05438	0.5
287.03876	0.5
289.05557	0.7
291.05548	2.0
293.04761	5.8
295.06509	1.6
299.06195	17.2
300.06442	0.6
301.01413	0.5
301.04651	0.7
301.11377	0.3
304.06564	3.6
305.07660	2.6
307.06674	1.6
309.04584	0.7
309.08008	0.3
311.06070	11.2
312.06375	0.6
317.04858	3.6
319.02502	5.6
322.07584	0.4
323.06027	7.6
324.06250	0.4
325.07608	0.6
334.07776	0.9
335.05731	3.7
337.04071	0.9
340.06494	0.4
341.07074	0.8
347.05725	1.7
351.05688	0.5
353.07123	2.1
365.06851	21.4
366.07440	0.6
379.04990	5.1
383.08151	21.3
384.08530	0.4
387.36447	0.4
391.05139	1.1
397.06042	1.9
401.09064	0.5
404.45016	0.3
406.09818	0.7
409.05942	1.9
421.06259	0.5
425.11276	0.4
435.09811	2.4
437.11029	1.3
439.07260	5.8
448.12231	0.3
451.06921	0.6
455.11420	0.4
463.07135	1.1
481.08270	10.9
499.09271	27.7
500.09631	0.6
545.13458	25.0
546.13239	0.8
643.13336	5.4
661.14508	100.0
662.14636	4.0
679.15521	4.5
923.17426	0.4
END